# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-03T00:16:00+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 15 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
"1000453","3.6586","0.0001","3.6586","0.0001","6.3061","0.0001","90","","90","","90","","84.4","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al F4 Rb -","1","0.0625","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0166","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000454","5.1375","0.0001","5.1375","0.0001","6.2912","0.0001","90","","90","","90","","166","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al2 F8 Rb2 -","2","0.125","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0304","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000455","5.1227","0.0001","5.1227","0.0001","6.2815","0.0002","90","","90","","90","","164.8","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al2 F8 Rb2 -","2","0.125","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0394","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000456","7.2285","0.0002","7.2252","0.0002","6.2624","0.0001","90","","90","","90","","327.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al4 F16 Rb4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0425","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000457","7.2124","0.0002","7.2073","0.0002","6.2396","0.0001","90","","90","","90","","324.3","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al4 F16 Rb4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0398","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001291","3.865","0.002","3.865","0.002","19.887","0.004","90","","90","","90","","297.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","DILANTHANUM STRONTIUM DICOPPER HEXAOXIDE","","- Cu2 La2 O6 Sr -","- Cu2 La2 O6 Sr -","- Cu4 La4 O12 Sr2 -","2","0.0625","","Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B","Intercroissance de feuilletes ""Perovskites lacunaires"" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR)","Materials Research Bulletin","1980","15","","891","897","10.1016/0025-5408(80)90212-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001292","3.863","0.002","3.863","0.002","19.963","0.004","90","","90","","90","","297.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","LANTHANUM STRONTIUM COPPER OXIDE (1.9/1.1/2/5.95)","","- Cu2 La1.9 O5.95 Sr1.1 -","- Cu2 La1.92 O5.96 Sr1.08 -","- Cu4 La3.84 O11.92 Sr2.16 -","2","0.0625","","Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B","Intercroissance de feuilletes ""Perovskites lacunaires"" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR)","Materials Research Bulletin","1980","15","","891","897","10.1016/0025-5408(80)90212-3","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001293","3.825","0.002","3.825","0.002","19.404","0.004","90","","90","","90","","283.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","LANTHANUM CALCIUM COPPER OXIDE (1.9/1.1/2/5.95)","","- Ca1.1 Cu2 La1.9 O5.95 -","- Ca1.1 Cu2 La1.9 O5.95 -","- Ca2.2 Cu4 La3.8 O11.9 -","2","0.0625","","Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B","Intercroissance de feuilletes ""Perovskites lacunaires"" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR)","Materials Research Bulletin","1980","15","","891","897","10.1016/0025-5408(80)90212-3","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001780","8.869","0.002","5.493","0.001","4.849","0.001","90","","90","","90","","236.2","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques","Materials Research Bulletin","1980","15","","1207","1213","10.1016/0025-5408(80)90022-7","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001781","8.884","0.002","5.522","0.001","4.873","0.001","90","","90","","90","","239.1","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques","Materials Research Bulletin","1980","15","","1207","1213","10.1016/0025-5408(80)90022-7","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007139","8.204","0.005","18.416","0.009","6.995","0.005","90","","89.89","0.05","90","","1056.8","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TELLURIUM(VI) HYDROXIDE DICAESIUM HYDROGENPHOSPHATE","","- Cs2 H7 O10 P Te -","- Cs2 H9.5 O10 P Te -","- Cs8 H38 O40 P4 Te4 -","4","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structures of two cesium phosphate-tellurates: (Te(O H)~6~) (Cs~2~ H P O~4~) and (Te(O H)~6~) (Cs~2~ H P O~4~) (Cs H~2~ P O~4~)~2~","Materials Research Bulletin","1980","15","","387","395","10.1016/0025-5408(80)90183-X","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007140","9.591","0.006","13.163","0.009","8.367","0.005","90","","106.27","0.05","90","","1014","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","TELLURIUM(VI) HYDROXIDE TETRACAESIUM HYDROGENPHOSPHATE BIS(DIHYDROGENPHOSPHATE)","","- Cs4 H11 O18 P3 Te -","- Cs4 H17 O18 P3 Te -","- Cs8 H34 O36 P6 Te2 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structures of two cesium phosphate-tellurates: (Te(O H)~6~) (Cs~2~ H P O~4~) and (Te(O H)~6~) (Cs~2~ H P O~4~) (Cs H~2~ P O~4~)~2~","Materials Research Bulletin","1980","15","","387","395","10.1016/0025-5408(80)90183-X","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007141","7.434","0.003","7.341","0.003","7.148","0.003","90","","99.56","0.05","90","","384.7","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DIPOTASSIUM HYDROGENSULFATE DIHYDROGENPHOSPHATE","","- H3 K2 O8 P S -","- H1.5 K2 O8 P S -","- H3 K4 O16 P2 S2 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of (K H SO~4~)(K H~2~ P O~4~)","Materials Research Bulletin","1980","15","","427","430","10.1016/0025-5408(80)90047-1","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008034","9.603","0.003","8.713","0.004","5.044","0.003","90","","90","","90","","422","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tungsten fluoride","","- F6 W -","- F6 W -","- F24 W4 -","4","0.5","","Levy, J H; Taylor, J C; Wilson, P W","The Structures of Fluorides XIII: The Orthorhombic Form of Tungsten Hexafluoride at 193K by Neutron Diffraction","Journal of Solid State Chemistry","1975","15","","360","365","10.1016/0022-4596(75)90292-3","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008111","9.2","","5.82","","7.45","","90","","90","","90","","398.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium chlorate(VII)","","- Cl H4 N O4 -","- Cl H4 N O4 -","- Cl4 H16 N4 O16 -","4","0.5","","Smith, H G; Levy, H A","Neutron Diffraction Study of Ammonium Perchlorate","Acta Crystallographica (1,1948-23,1967)","1962","15","","1201","1206","10.1107/S0365110X62003205","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008247","8.606","0.003","6.346","0.003","6.811","0.003","90","","94.16","0.01","90","","371","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","COPPER HYDROGENPHOSPHATE HYDRATE","","- Cu H3 O5 P -","- Cu H3 O5 P -","- Cu4 H12 O20 P4 -","4","1","","Boudjada, A","Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O~4~) (H~2~ O)","Materials Research Bulletin","1980","15","","1083","1090","10.1016/0025-5408(80)90070-7","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008918","6.76","0.02","6.76","0.02","6.76","0.02","90","","90","","90","","308.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Hydrazine hydrate","","- H6 N2 O -","- H7.008 N2.004 O -","- H28.032 N8.016 O4 -","4","0.0208333","","Zocchi, M.; Busing, W. R.; Ellison, R. D.; Levy, H. A.","An X-ray study of hydrazine hydrate, N2 H4 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1962","15","8","803","803","10.1107/S0365110X62002066","","","","","","0.22","","","","","","","","","","","","","","","has coordinates","188477","2020-10-21","18:00:00",""
"1009043","5.968","","5.968","","11.74","","90","","90","","120","","362.1","","","","","","","","","","","","synthetic","2","P -6 2 c","P -6c -2c","190","","Iron sulfide - LT","Troilite 2H","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","Bertaut, F","La structure de sulfure de fer","Journal de Physique et du Radium","1954","15","","775","775","","","","","","","0.195","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010423","6.82","0.02","6.82","0.02","6.82","0.02","90","","90","","90","","317.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Barium telluride","","- Ba Te -","- Ba Te -","- Ba4 Te4 -","4","0.0208333","","Spangenberg, K","Lichtbrechungsbestimmungen an den Erdalkaliverbindungen mit O, S, Se und Te","Naturwissenschaften","1927","15","","266","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010598","6.77","","6.77","","10.45","","90","","90","","120","","414.8","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Ammonium hexakis(thiocyanato)platinate","","- C6 H8 N8 Pt S6 -","- C H8 N3 Pt S6 -","- C H8 N3 Pt S6 -","1","0.0833333","","Hendricks, S B; Merwin, H E","The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates","American Journal of Science, Serie 5(1,1921-1938)","1928","15","","487","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","205563","2020-10-21","18:00:00",""
"1010599","6.73","","6.73","","10.26","","90","","90","","120","","402.4","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Potassium hexakis(thiocyanato)platinate","","- C6 K2 N6 Pt S6 -","- C K2 N Pt S6 -","- C K2 N Pt S6 -","1","0.0833333","","Hendricks, S B; Merwin, H E","The Atomic Arrangement in Crystals of the Alkali Platini-thiocyanates","American Journal of Science, Serie 5(1,1921-1938)","1928","15","","487","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","205563","2020-10-21","18:00:00",""
"1010600","6.75","","6.75","","10.47","","90","","90","","120","","413.1","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Rubidium hexakis(thiocyanato)platinate","","- C6 N6 Pt Rb2 S6 -","- C N Pt Rb2 S6 -","- C N Pt Rb2 S6 -","1","0.0833333","","Hendricks, S B; Merwin, H E","The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates","American Journal of Science, Serie 5(1,1921-1938)","1928","15","","487","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","205563","2020-10-21","18:00:00",""
"1100072","9.32","0.01","14.36","0.04","6.87","0.01","90","","90","","90","","919.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Nardelli, M; Fava, G; Giraldi, G","The Crystal Structure of Magnesium Thiosulphate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1962","15","","227","231","10.1107/S0365110X62000560","","","","","","0.116","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100097","5.922","0.006","13.604","0.004","7.905","0.005","90","","90.85","0.17","90","","636.8","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","Magnesium sulfate(VI) tetrahydrate","Starkeyite","- H8 Mg O8 S -","- H8 Mg O8 S -","- H32 Mg4 O32 S4 -","4","1","","Baur, W. H.","Zur Kristallchemie der Salzhydrate. Die Kristallstrukturen von MgSO~4~.4H~2~O (leonhardtit) und FeSO~4~.4H~2~O (rozenit)","Acta Crystallographica","1962","15","9","815","826","10.1107/S0365110X62002200","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1100139","11.3215","0.001","11.908","0.002","16.4596","0.0014","71.538","0.017","71.675","0.007","78.681","0.013","1986.6","0.5","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H37 Au Br4 N12 O9 -","- C27 H30 Au Br4 N12 O9 -","- C54 H60 Au2 Br8 N24 O18 -","2","1","","Esther R. Acuna-Cueva; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros","","Structural Chemistry","2004","15","","159","163","10.1023/B:STUC.0000011250.33484.84","","","0.71073","MoKα","","0.1194","0.089","","","0.2346","0.2771","","","","","","1.017","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1502622","6.9608","0.0002","15.583","0.0007","31.3056","0.0013","90","","90","","90","","3395.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N O2.5 -","- C18 H25 Cl N O2.5 -","- C144 H200 Cl8 N8 O20 -","8","2","","Shevchenko, Anna; Belle, David Din; Tiittanen, Saara; Karjalainen, Arto; Tolvanen, Arto; Tanninen, Veli Pekka; Haarala, Jorma; Mäkelä, Mikko; Yliruusi, Jouko; Miroshnyk, Inna","Coupling Polymorphism/Solvatomorphism and Physical Stability Evaluation with Early Salt Synthesis Optimization of an Investigational Drug","Organic Process Research & Development","2011","15","3","666","","10.1021/op200026f","","","0.71073","MoKα","","0.1111","0.0685","","","0.1217","0.1352","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502623","24.264","0.008","24.798","0.01","26.166","0.008","90","","104.12","0.02","90","","15268","9","100.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H84 Cl2 N6 P2 Ru -","- C74 Cl2 N6 P2 Ru -","- C592 Cl16 N48 P16 Ru8 -","8","2","","Goto, Mitsutaka; Konishi, Takahiro; Kawaguchi, Shinji; Yamada, Masatoshi; Nagata, Toshiaki; Yamano, Mitsuhisa","Process Research on the Asymmetric Hydrogenation of a Benzophenone for Developing the Manufacturing Process of the Squalene Synthase Inhibitor TAK-475","Organic Process Research & Development","2011","15","5","1178","","10.1021/op2001673","","","1.5419","CuKα","","0.1948","0.1857","","","","0.46","","","","","","1.72","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508841","11.406","0.002","5.8201","0.0012","15.187","0.003","90","","95.53","0.03","90","","1003.5","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 -","- C26 H24 -","- C52 H48 -","2","0.5","","Jiang, Huanfeng; Gao, Yang; Wu, Wanqing; Huang, Yubing","Pd(II)-Catalyzed Highly Regio- and Stereoselective Assembly of C-C Double Bonds: An Efficient Method for the Synthesis of 2,4-Dihalo-1,3,5-trienes from Alkynols.","Organic letters","2013","15","2","238","241","10.1021/ol302730x","","","0.71073","MoKα","","0.1376","0.0529","","","0.1268","0.1767","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508842","6.1191","0.0016","12.656","0.003","18.088","0.005","90","","90","","90","","1400.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Cao, Zhong-Yan; Zhou, Feng; Yu, Yi-Hua; Zhou, Jian","A Highly Diastereo- and Enantioselective Hg(II)-Catalyzed Cyclopropanation of Diazooxindoles and Alkenes.","Organic letters","2013","15","1","42","45","10.1021/ol302998m","","","0.71073","MoKα","","0.0384","0.028","","","0.0574","0.0609","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508843","7.6187","0.0002","15.2421","0.0003","8.3982","0.0006","90","","99.42","0.007","90","","962.09","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C44 H62 N2 O4 -","2","1","","Martin, Rhia M.; Bergman, Robert G.; Ellman, Jonathan A.","Synthesis of Isoquinuclidines from Highly Substituted Dihydropyridines via the Diels-Alder Reaction.","Organic letters","2013","15","3","444","447","10.1021/ol303040r","","","1.54187","CuKα","","0.0265","0.0261","","","0.0636","0.0642","","","","","","0.981","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508844","15.5908","0.0004","12.0381","0.0003","7.2191","0.0002","90","","99.952","0.002","90","","1334.52","0.06","173.15","","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Song, Liyan; Yao, Hongliang; Zhu, Liangyu; Tong, Rongbiao","Asymmetric Total Syntheses of (-)-Penicipyrone and (-)-Tenuipyrone via Biomimetic Cascade Intermolecular Michael Addition/Cycloketalization.","Organic letters","2013","15","1","6","9","10.1021/ol303071t","","x-ray","1.5418","CuKα","","0.035","0.0329","","","0.0863","0.0881","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508845","10.6914","0.0002","9.8462","0.0002","11.5299","0.0002","90","","110.216","0.002","90","","1138.98","0.04","173","0.14","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Song, Liyan; Yao, Hongliang; Zhu, Liangyu; Tong, Rongbiao","Asymmetric Total Syntheses of (-)-Penicipyrone and (-)-Tenuipyrone via Biomimetic Cascade Intermolecular Michael Addition/Cycloketalization.","Organic letters","2013","15","1","6","9","10.1021/ol303071t","","x-ray","1.5418","CuKα","","0.0359","0.0337","","","0.0899","0.0925","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508846","12.8975","0.0007","14.6754","0.0008","16.4298","0.0009","90","","90","","90","","3109.8","0.3","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2a in manuscript","","","- C12.5 H20 Cl2 Ir N O2 -","- C12.5 H20 Cl2 Ir N O2 -","- C100 H160 Cl16 Ir8 N8 O16 -","8","2","","Wetzel, Alexander; Wöckel, Simone; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Selective Alkylation of Amines with Alcohols by Cp*-Iridium(III) Half-Sandwich Complexes.","Organic letters","2013","15","2","266","269","10.1021/ol303075h","","","0.71073","MoKα","","0.0193","0.0169","","","0.0341","0.0347","","","","","","1.048","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508847","6.7576","0.0003","9.8259","0.0006","13.085","0.0011","92.213","0.006","97.254","0.005","92.098","0.005","860.49","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C36 H46 N2 O6 -","2","1","","Wang, Gang; Liu, Xiaohua; Huang, Tianyu; Kuang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric catalytic 1,3-dipolar cycloaddition reaction of nitrile imines for the synthesis of chiral spiro-pyrazoline-oxindoles.","Organic letters","2013","15","1","76","79","10.1021/ol303097j","","","0.7107","MoKα","","0.0669","0.0458","","","0.1071","0.1205","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508848","12.016","0.0012","18.7857","0.0019","12.339","0.0012","90","","97.777","0.007","90","","2759.7","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H29 N3 O3 -","- C33 H29 N3 O3 -","- C132 H116 N12 O12 -","4","2","","Wang, Gang; Liu, Xiaohua; Huang, Tianyu; Kuang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric catalytic 1,3-dipolar cycloaddition reaction of nitrile imines for the synthesis of chiral spiro-pyrazoline-oxindoles.","Organic letters","2013","15","1","76","79","10.1021/ol303097j","","","1.54186","CuKα","","0.048","0.0446","","","0.0921","0.0963","","","","","","1.177","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508849","9.0374","0.0003","15.0633","0.0006","19.6158","0.0011","90","","90","","90","","2670.4","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 N3 O3 S -","- C29 H31 N3 O3 S -","- C116 H124 N12 O12 S4 -","4","1","","Wang, Gang; Liu, Xiaohua; Huang, Tianyu; Kuang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric catalytic 1,3-dipolar cycloaddition reaction of nitrile imines for the synthesis of chiral spiro-pyrazoline-oxindoles.","Organic letters","2013","15","1","76","79","10.1021/ol303097j","","","0.7107","MoKα","","0.0925","0.0508","","","0.0761","0.0871","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508850","14.45","0.003","16.149","0.003","16.146","0.004","90","","110.285","0.0009","90","","3534","1.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 S4 Si2 -","- C36 H48 S4 Si2 -","- C144 H192 S16 Si8 -","4","1","","Dou, Chuandong; Saito, Shohei; Gao, Libin; Matsumoto, Naoki; Karasawa, Takashi; Zhang, Hongyu; Fukazawa, Aiko; Yamaguchi, Shigehiro","Sequential Electrophilic and Photochemical Cyclizations from Bis(bithienyl)acetylene to a Tetrathienonaphthalene Core.","Organic letters","2013","15","1","80","83","10.1021/ol303107y","","","0.7107","MoKα","","0.0798","0.0679","","","0.2065","0.2202","","","","","","1.159","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508851","7.5456","0.0011","12.1175","0.0017","19.49","0.003","80.956","0.004","88.114","0.004","87.511","0.004","1757.6","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 S4 Si2 -","- C36 H48 S4 Si2 -","- C72 H96 S8 Si4 -","2","1","","Dou, Chuandong; Saito, Shohei; Gao, Libin; Matsumoto, Naoki; Karasawa, Takashi; Zhang, Hongyu; Fukazawa, Aiko; Yamaguchi, Shigehiro","Sequential Electrophilic and Photochemical Cyclizations from Bis(bithienyl)acetylene to a Tetrathienonaphthalene Core.","Organic letters","2013","15","1","80","83","10.1021/ol303107y","","","0.7107","MoKα","","0.0387","0.0323","","","0.0781","0.082","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508852","8.5863","0.0013","12.175","0.0018","18.897","0.003","92.036","0.002","96.456","0.002","98.521","0.003","1938.5","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H49 I S4 Si2 -","- C36 H49 I S4 Si2 -","- C72 H98 I2 S8 Si4 -","2","1","","Dou, Chuandong; Saito, Shohei; Gao, Libin; Matsumoto, Naoki; Karasawa, Takashi; Zhang, Hongyu; Fukazawa, Aiko; Yamaguchi, Shigehiro","Sequential Electrophilic and Photochemical Cyclizations from Bis(bithienyl)acetylene to a Tetrathienonaphthalene Core.","Organic letters","2013","15","1","80","83","10.1021/ol303107y","","","0.7107","MoKα","","0.027","0.0255","","","0.062","0.0632","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508853","11.2017","0.0006","12.1697","0.0006","15.1195","0.0007","85.32","0.004","82.624","0.004","72.927","0.004","1951.88","0.17","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H30 F6 S -","- C52 H30 F6 S -","- C104 H60 F12 S2 -","2","1","","Li, Jing; Huang, Huanan; Liang, Weihong; Gao, Qun; Duan, Zheng","Catalytic C-h and C-s bond activation of thiophenes.","Organic letters","2013","15","2","282","285","10.1021/ol303136x","","","1.5418","CuKα","","0.0508","0.0436","","","0.1181","0.1253","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508854","10.4792","0.0008","13.4657","0.0011","20.0797","0.0014","70.764","0.007","77.704","0.006","82.037","0.007","2606.7","0.4","291","2","291.15","","","","","","","","","3","P -1","-P 1","2","","","","- C69 H52 S -","- C69 H52 S -","- C138 H104 S2 -","2","1","","Li, Jing; Huang, Huanan; Liang, Weihong; Gao, Qun; Duan, Zheng","Catalytic C-h and C-s bond activation of thiophenes.","Organic letters","2013","15","2","282","285","10.1021/ol303136x","","","1.5418","CuKα","","0.0778","0.0523","","","0.1359","0.1573","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508855","9.3242","0.0002","20.5863","0.0004","20.4716","0.0004","90","","92.4025","0.0019","90","","3926.09","0.14","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 F4 S -","- C44 H35 F4 S -","- C176 H140 F16 S4 -","4","1","","Li, Jing; Huang, Huanan; Liang, Weihong; Gao, Qun; Duan, Zheng","Catalytic C-h and C-s bond activation of thiophenes.","Organic letters","2013","15","2","282","285","10.1021/ol303136x","","","1.5418","CuKα","","0.092","0.0777","","","0.2294","0.2507","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508856","16.0668","0.0017","16.7268","0.0011","18.1635","0.0008","96.294","0.005","99.037","0.006","108.324","0.008","4510","0.7","291","2","291.15","","","","","","","","","3","P -1","-P 1","2","","","","- C213 H201 S4 -","- C213 H152 S4 -","- C213 H152 S4 -","1","0.5","","Li, Jing; Huang, Huanan; Liang, Weihong; Gao, Qun; Duan, Zheng","Catalytic C-h and C-s bond activation of thiophenes.","Organic letters","2013","15","2","282","285","10.1021/ol303136x","","","1.5418","CuKα","","0.1133","0.0741","","","0.2022","0.2454","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508857","8.3771","0.0001","10.29","0.0002","31.168","0.0004","90","","90","","90","","2686.69","0.07","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl N2 O3 -","- C32 H29 Cl N2 O3 -","- C128 H116 Cl4 N8 O12 -","4","1","","Shi, Feng; Xing, Gui-Juan; Zhu, Ren-Yi; Tan, Wei; Tu, Shujiang","A Catalytic Asymmetric Isatin-Involved Povarov Reaction: Diastereo- and Enantioselective Construction of Spiro[indolin-3,2'-quinoline] Scaffold.","Organic letters","2013","15","1","128","131","10.1021/ol303154k","","","1.54184","CuKα","","0.0336","0.0306","","","0.0882","0.0904","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508858","12.652","0.002","5.3373","0.0009","17.942","0.003","90","","109.082","0.003","90","","1145","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C56 H50 N2 O8 -","2","1","","Wu, Hua; He, Yu-Ping; Gong, Liu-Zhu","Direct Access to Enantioenriched Spiroacetals through Asymmetric Relay Catalytic Three-Component Reaction.","Organic letters","2013","15","3","460","463","10.1021/ol303188u","","","0.71073","MoKα","","0.0472","0.042","","","0.1112","0.1156","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508859","6.9397","0.0007","8.8694","0.001","11.1168","0.0012","97.572","0.002","94.165","0.002","92.775","0.002","675.33","0.13","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1-(5,6-dimethoxy-3-methyl-1H-indol-2-yl)-2-methylpropan-1-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Reddy, B. V. Subba; Reddy, M. Ramana; Rao, Y. Gopal; Yadav, J. S.; Sridhar, B.","Cu(OTf)(2)-Catalyzed Synthesis of 2,3-Disubstituted Indoles and 2,4,5-Trisubstituted Pyrroles from α-Diazoketones.","Organic letters","2013","15","3","464","467","10.1021/ol303206w","","","0.71073","MoKα","","0.0454","0.041","","","0.1127","0.1165","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508860","11.7298","0.0008","9.2723","0.0006","11.8853","0.0008","90","","103.883","0.001","90","","1254.91","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 2-methyl-5-phenyl-1H-pyrrole-3-carboxylate","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Reddy, B. V. Subba; Reddy, M. Ramana; Rao, Y. Gopal; Yadav, J. S.; Sridhar, B.","Cu(OTf)(2)-Catalyzed Synthesis of 2,3-Disubstituted Indoles and 2,4,5-Trisubstituted Pyrroles from α-Diazoketones.","Organic letters","2013","15","3","464","467","10.1021/ol303206w","","","0.71073","MoKα","","0.0463","0.0396","","","0.1124","0.1193","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508861","13.046","0.003","18.896","0.004","21.809","0.006","90","","91.007","0.004","90","","5375","2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 -","- C34 H32 N4 -","- C272 H256 N32 -","8","2","","Chandra, Brijesh; Mahanta, Sanjeev P.; Pati, Narendra N.; Baskaran, Sambath; Kanaparthi, Ravi K.; Sivasankar, Chinnappan; Panda, Pradeepta K.","Calix[2]bispyrrolylarenes: New Expanded Calix[4]pyrroles for Fluorometric Sensing of Anions via Extended π-Conjugation.","Organic letters","2013","15","2","306","309","10.1021/ol3032158","","","0.71073","MoKα","","0.3897","0.1356","","","0.2981","0.4181","","","","","","0.974","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508862","7.6144","0.0004","7.5543","0.0003","29.9948","0.0014","90","","91.624","0.004","90","","1724.65","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","2","","Louillat, Marie-Laure; Patureau, Frederic W.","Toward polynuclear ru-cu catalytic dehydrogenative C-N bond formation, on the reactivity of carbazoles.","Organic letters","2013","15","1","164","167","10.1021/ol303216u","","","1.54184","CuKα","","0.0514","0.0454","","","0.1162","0.1271","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508863","9.2295","0.0003","10.3951","0.0004","11.3783","0.0005","86.591","0.002","69.851","0.002","79.622","0.002","1008.07","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C48 H48 O8 -","2","1","","Qin, Changming; Davies, Huw M. L.","Enantioselective Synthesis of 2-Arylbicyclo[1.1.0]butane Carboxylates.","Organic letters","2013","15","2","310","313","10.1021/ol303217s","","","1.54178","CuKα","","0.1686","0.1114","","","0.2482","0.3947","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508864","21.033","0.003","9.9868","0.0013","10.2026","0.0013","90","","102.928","0.002","90","","2088.8","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C100 H100 N12 O12 -","4","1","","Hong, Bor-Cherng; Liao, Wei-Kai; Dange, Nitin S.; Liao, Ju-Hsiou","One-pot organocatalytic enantioselective domino double-Michael reaction and pictet-spengler-lactamization reaction. A facile entry to the ""inside yohimbane"" system with five contiguous stereogenic centers.","Organic letters","2013","15","3","468","471","10.1021/ol3032329","","","0.71073","MoKα","","0.0539","0.0429","","","0.1125","0.1335","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508865","8.1146","0.0008","9.2164","0.0009","35.493","0.004","90","","90","","90","","2654.4","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N3 O3 -","- C25 H24 Cl N3 O3 -","- C100 H96 Cl4 N12 O12 -","4","1","","Hong, Bor-Cherng; Liao, Wei-Kai; Dange, Nitin S.; Liao, Ju-Hsiou","One-pot organocatalytic enantioselective domino double-Michael reaction and pictet-spengler-lactamization reaction. A facile entry to the ""inside yohimbane"" system with five contiguous stereogenic centers.","Organic letters","2013","15","3","468","471","10.1021/ol3032329","","","0.71073","MoKα","","0.0646","0.0526","","","0.1434","0.1487","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508866","9.4219","0.0002","8.6467","0.0002","18.7345","0.0013","90","","103.222","0.007","90","","1485.81","0.12","150","0.2","150","0.2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H18 F6 N2 O2 -","- C12 H18 F6 N2 O2 -","- C48 H72 F24 N8 O8 -","4","1","","Riofski, Mark V.; Hart, Allison D.; Colby, David A.","Amidinate salt of hexafluoroacetone hydrate for the preparation of fluorinated compounds by the release of trifluoroacetate.","Organic letters","2013","15","1","208","211","10.1021/ol303291x","","","1.54184","CU-Kα","","0.073","0.047","","","0.107","0.153","","","","","","1.166","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1508867","13.871","0.003","11.664","0.002","15.1202","0.0012","90","","92.72","0.006","90","","2443.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C100 H112 Cl4 N4 O24 -","4","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0582","0.0419","","","0.107","0.1202","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508868","9.4038","0.0004","10.7199","0.0005","24.4225","0.0011","90","","99.093","0.001","90","","2431.04","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 N O6 -","- C29 H29 N O6 -","- C116 H116 N4 O24 -","4","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0631","0.045","","","0.1115","0.1231","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508869","11.3123","0.0005","13.5731","0.0007","16.6509","0.0008","78.645","0.001","73.569","0.001","86.82","0.001","2404.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N O6 -","- C29 H29 N O6 -","- C116 H116 N4 O24 -","4","2","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0614","0.0433","","","0.1054","0.1191","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508870","19.1983","0.0008","10.9762","0.0005","23.4467","0.001","90","","90","","90","","4940.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C216 H264 N8 O56 -","8","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0671","0.042","","","0.101","0.1154","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508871","9.6224","0.0006","10.0813","0.0006","14.8728","0.0009","103.357","0.001","105.497","0.001","103.944","0.001","1280.26","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C56 H66 N2 O14 -","2","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0654","0.0446","","","0.1049","0.1185","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508872","10.779","0.006","6.217","0.004","27.444","0.016","90","","93","0.006","90","","1836.6","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 S4 Si4 -","- C30 H44 S4 Si4 -","- C60 H88 S8 Si8 -","2","0.5","","Wu, Tianjing; Shi, Jianwu; Li, Chunli; Song, Jinsheng; Xu, Li; Wang, Hua","Synthesis of Dendrimers Based on Tetrakis(thiophene-2-yl)ethene as New Dendron.","Organic letters","2013","15","2","354","357","10.1021/ol303300w","","","0.71073","MoKα","","0.0863","0.0721","","","0.185","0.1944","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508873","12.183","0.007","16.129","0.009","16.62","0.01","100.265","0.01","92.579","0.011","90.124","0.011","3210","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H140 S16 Si12 -","- C110 H140 S16 Si12 -","- C110 H140 S16 Si12 -","1","0.5","","Wu, Tianjing; Shi, Jianwu; Li, Chunli; Song, Jinsheng; Xu, Li; Wang, Hua","Synthesis of Dendrimers Based on Tetrakis(thiophene-2-yl)ethene as New Dendron.","Organic letters","2013","15","2","354","357","10.1021/ol303300w","","","0.71073","MoKα","","0.1205","0.0627","","","0.153","0.1869","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508874","8.3493","0.0005","10.2504","0.0006","13.0418","0.0007","91.274","0.004","104.819","0.003","112.131","0.003","990.74","0.1","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C54 H44 N4 -","2","1","","Chen, Hui; Sanjaya, Stephen; Wang, Yi-Feng; Chiba, Shunsuke","Copper-catalyzed aliphatic C-h amination with an amidine moiety.","Organic letters","2013","15","1","212","215","10.1021/ol303302r","","","0.71073","MoKα","","0.0813","0.0553","","","0.14","0.165","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508875","12.2998","0.001","8.3428","0.0007","18.0813","0.0014","90","","95.545","0.003","90","","1846.7","0.3","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 -","- C25 H20 N2 -","- C100 H80 N8 -","4","1","","Chen, Hui; Sanjaya, Stephen; Wang, Yi-Feng; Chiba, Shunsuke","Copper-catalyzed aliphatic C-h amination with an amidine moiety.","Organic letters","2013","15","1","212","215","10.1021/ol303302r","","","0.71073","MoKα","","0.0488","0.0362","","","0.0996","0.1249","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508876","17.676","0.004","5.727","0.0012","23.637","0.005","90","","92.756","0.003","90","","2390","0.9","98","2","98","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2<i>S</i>, 3<i>S</i>)-1-(4-Bromophenyl)-2,3-diphenyl -3-(tosylamino)propan-1-one","","- C28 H24 Br N O3 S -","- C28 H24 Br N O3 S -","- C112 H96 Br4 N4 O12 S4 -","4","2","","Guo, Qunsheng; Zhao, John Cong-Gui","Highly enantioselective three-component direct mannich reactions of unfunctionalized ketones catalyzed by bifunctional organocatalysts.","Organic letters","2013","15","3","508","511","10.1021/ol303315c","","","0.71073","MoKα","","0.0518","0.0457","","","0.1038","0.1095","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508877","6.9631","0.0019","9.251","0.003","11.149","0.003","82.052","0.004","85.96","0.004","68.329","0.004","660.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","","Zhu, Yan-Ping; Fei, Zhuan; Liu, Mei-Cai; Jia, Feng-Cheng; Wu, An-Xin","Direct One-Pot Synthesis of Luotonin F and Analogues via Rational Logical Design.","Organic letters","2013","15","2","378","381","10.1021/ol303331g","","","0.71073","MoKα","","0.0607","0.0519","","","0.1536","0.1826","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508878","9.688","0.001","10.4402","0.0012","12.9565","0.0014","89.249","0.009","80.806","0.008","85.661","0.009","1289.9","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 O3 Si -","- C32 H30 O3 Si -","- C64 H60 O6 Si2 -","2","1","","Kondo, Shin-Ichi; Bie, Yi; Yamamura, Masaki","Ratiometric Fluorescence Detection of Anions by Silanediol-based Receptors Bearing Anthryl and Pyrenyl Groups.","Organic letters","2013","15","3","520","523","10.1021/ol303332k","","","0.7107","MoKα","","0.0853","0.0678","","","0.1723","0.1925","","","","","","1.107","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508879","11.021","0.0004","22.8264","0.0007","26.376","0.0007","90","","90.593","0.003","90","","6635","0.4","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H70 F12 N7 O14 P2 -","- C62 H70 F12 N7 O14 P2 -","- C248 H280 F48 N28 O56 P8 -","4","1","","Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe","Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry.","Organic letters","2013","15","3","534","537","10.1021/ol303355z","","","0.71073","MoKα","","0.0486","0.0404","","","0.0946","0.0995","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508880","21.8315","0.0006","10.7382","0.0003","29.5987","0.0007","90","","90","","90","","6938.9","0.3","170","2","170","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C69 H78 F12 Fe2 N2 O15 P2 -","- C69 H78 F12 Fe2 N2 O15 P2 -","- C276 H312 F48 Fe8 N8 O60 P8 -","4","1","","Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe","Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry.","Organic letters","2013","15","3","534","537","10.1021/ol303355z","","","0.71073","MoKα","","0.0553","0.0467","","","0.1081","0.1126","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508881","17.9964","0.001","13.7356","0.0006","32.6891","0.0015","90","","102.548","0.005","90","","7887.5","0.7","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H82 F12 N4 O20 P2 -","- C68 H82 F12 N4 O20 P2 -","- C272 H328 F48 N16 O80 P8 -","4","1","","Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe","Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry.","Organic letters","2013","15","3","534","537","10.1021/ol303355z","","","0.71073","MoKα","","0.111","0.0802","","","0.2294","0.2672","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508882","5.737","0.002","8.686","0.003","10.931","0.004","83.072","0.006","79.957","0.007","75.074","0.007","516.6","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H19 N O5 S -","- C24 H19 N O5 S -","- C24 H19 N O5 S -","1","1","","An, Jing; Lu, Liang-Qiu; Yang, Qing-Qing; Wang, Tao; Xiao, Wen-Jing","Enantioselective Construction of Oxa- and Aza-Angular Triquinanes through Tandem [4 + 1]/[3 + 2] Cycloaddition of Sulfur Ylides and Nitroolefins.","Organic letters","2013","15","3","542","545","10.1021/ol303363r","","","0.71073","MoKα","","0.0778","0.0623","","","0.1187","0.1261","","","","","","1.154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508883","11.1729","0.0001","22.3738","0.0003","8.8833","0.0001","90","","107.866","0.001","90","","2113.56","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O5 -","- C26 H21 N O5 -","- C104 H84 N4 O20 -","4","1","","An, Jing; Lu, Liang-Qiu; Yang, Qing-Qing; Wang, Tao; Xiao, Wen-Jing","Enantioselective Construction of Oxa- and Aza-Angular Triquinanes through Tandem [4 + 1]/[3 + 2] Cycloaddition of Sulfur Ylides and Nitroolefins.","Organic letters","2013","15","3","542","545","10.1021/ol303363r","","","1.54178","CuKα","","0.0314","0.0308","","","0.0744","0.0748","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508884","7.861","0.019","9.93","0.02","42.05","0.1","90","","90","","90","","3282","13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C128 H136 N8 O16 S16 -","8","1","","Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu","Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature.","Organic letters","2013","15","3","550","553","10.1021/ol303366u","","","0.71073","MoKα","","0.0799","0.055","","","0.1234","0.1341","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508885","8.132","0.005","12.907","0.007","23.129","0.013","90","","90","","90","","2428","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C104 H104 N8 O16 S8 -","8","1","","Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu","Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature.","Organic letters","2013","15","3","550","553","10.1021/ol303366u","","","0.71073","MoKα","","0.0704","0.0467","","","0.1132","0.1264","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508886","13.442","0.004","6.2752","0.0018","16.172","0.004","90","","106.076","0.012","90","","1310.8","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 N4 O4 S -","- C24 H32 N4 O4 S -","- C48 H64 N8 O8 S2 -","2","1","","Bian, Jianwei; Blakemore, David; Warmus, Joseph S.; Sun, Jianmin; Corbett, Matthew; Rose, Colin R.; Bechle, Bruce M.","Diastereoselective Synthesis of β-Heteroaryl syn-α-Methyl-β-Amino Acid Derivatives via a Double Chiral Auxiliary Approach.","Organic letters","2013","15","3","562","565","10.1021/ol3033785","","","1.54178","CuKα","","0.0794","0.055","","","0.1336","0.1444","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508887","8.1107","0.0002","11.3209","0.0003","11.3866","0.0003","108.914","0.002","101.259","0.002","104.447","0.002","913.25","0.05","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 O5 S -","- C21 H20 O5 S -","- C42 H40 O10 S2 -","2","1","","Reddy Chidipudi, Suresh; Wieczysty, Martin D.; Khan, Imtiaz; Lam, Hon Wai","Synthesis of Benzopyrans by Pd(II)- or Ru(II)-Catalyzed C-H Alkenylation of 2-Aryl-3-hydroxy-2-cyclohexenones.","Organic letters","2013","15","3","570","573","10.1021/ol3033835","","","0.71073","MoKα","","0.0386","0.0336","","","0.0889","0.0925","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508888","7.2612","0.0005","46.73","0.004","9.8379","0.0008","90","","104.021","0.009","90","","3238.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tethered kingianin precursor","","","- C40 H42 O8 -","- C40 H42 O8 -","- C160 H168 O32 -","4","1","","Lim, Hee Nam; Parker, Kathlyn A.","Total synthesis of kingianin a.","Organic letters","2013","15","2","398","401","10.1021/ol303388k","","","1.5418","CuKα","","0.1911","0.0681","","","0.1197","0.1756","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508889","10.8252","0.0002","14.0413","0.0003","16.0269","0.0003","80.5192","0.0013","80.3028","0.0012","76.9564","0.0013","2318.87","0.08","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H62 N2 O4 -","- C54 H62 N2 O4 -","- C108 H124 N4 O8 -","2","1","","Masuda, Motoki; Maeda, Chihiro; Yoshioka, Naoki","Synthesis of Carbazole-Based Selenaporphyrin via Annulation.","Organic letters","2013","15","3","578","581","10.1021/ol303392g","","","1.54187","CuKα","","0.1387","0.089","","","0.232","0.2659","","","","","","1.362","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508890","10.1478","0.0008","12.6951","0.0012","16.6983","0.0012","90.204","0.004","104.566","0.003","111.507","0.002","1926.1","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H50 N2 Se2 -","- C48 H50 N2 Se2 -","- C96 H100 N4 Se4 -","2","1","","Masuda, Motoki; Maeda, Chihiro; Yoshioka, Naoki","Synthesis of Carbazole-Based Selenaporphyrin via Annulation.","Organic letters","2013","15","3","578","581","10.1021/ol303392g","","","1.54178","CuKα","","0.0856","0.0709","","","0.2163","0.273","","","","","","1.253","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508891","6.385","0.0002","8.7697","0.0002","27.5194","0.0007","90","","90","","90","","1540.94","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O -","- C18 H26 N2 O -","- C72 H104 N8 O4 -","4","1","","Huang, Sheng-Dian; Zhang, Yu; Cao, Ming-Ming; Di, Ying-Tong; Tang, Gui-Hua; Peng, Zong-Gen; Jiang, Jian-Dong; He, Hong-Ping; Hao, Xiao-Jiang","Myriberine A, a New Alkaloid with an Unprecedented Heteropentacyclic Skeleton from Myrioneuron faberi.","Organic letters","2013","15","3","590","593","10.1021/ol3034065","","","1.54178","CuKα","","0.0398","0.0395","","","0.1019","0.1028","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508892","6.214","0.0003","15.5633","0.0009","45.916","0.003","90","","90","","90","","4440.6","0.4","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O -","- C25 H42 O -","- C200 H336 O8 -","8","2","","Chiba, Ryota; Minami, Atsushi; Gomi, Katsuya; Oikawa, Hideaki","Identification of Ophiobolin F Synthase by a Genome Mining Approach: A Sesterterpene Synthase from Aspergillus clavatus.","Organic letters","2013","15","3","594","597","10.1021/ol303408a","","","0.71075","MoKα","","","0.0816","","","","0.2334","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508893","16.382","0.005","16.382","0.005","39.89","0.02","90","","90","","120","","9271","6","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C98 H156 F24 N22 Na4 O27 P4 -","- C98 H155.97 F24 N22 Na4 O27 P4 -","- C294 H467.91 F72 N66 Na12 O81 P12 -","3","0.333333","","Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco","Structural effects of proline substitution and metal binding on hexameric cyclic peptoids.","Organic letters","2013","15","3","598","601","10.1021/ol3034143","","","0.3006","","","0.1481","0.1436","","","0.4399","0.485","","","","","","2.29","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508894","8.3584","0.0035","9.1756","0.0036","11.6234","0.0042","99.636","0.006","101.488","0.012","104.239","0.013","824.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H54 N6 O12 -","- C30 H54 N6 O12 -","- C30 H54 N6 O12 -","1","0.5","","Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco","Structural effects of proline substitution and metal binding on hexameric cyclic peptoids.","Organic letters","2013","15","3","598","601","10.1021/ol3034143","","","0.71073","MoKα","","0.0559","0.046","","","0.1203","0.1295","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508895","12.29","0.0014","14.996","0.0016","16.269","0.002","98.514","0.008","106.348","0.01","99.374","0.009","2778.6","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49 Cl7 Fe N6 O6 -","- C57 H49 Cl7 Fe N6 O6 -","- C114 H98 Cl14 Fe2 N12 O12 -","2","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.0821","0.0767","","","0.2156","0.2266","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508896","14.527","0.0013","30.638","0.003","12.3382","0.001","90","","97.26","0.006","90","","5447.4","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cl Fe N6 O6 -","- C56 H48 Cl Fe N6 O6 -","- C224 H192 Cl4 Fe4 N24 O24 -","4","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.0845","0.0762","","","0.2143","0.2285","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508897","15.923","0.0014","16.738","0.0015","22.371","0.002","91.302","0.013","93.701","0.008","90.604","0.006","5947.9","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Cl Fe N6 O6 -","- C57 H50 Cl Fe N6 O6 -","- C228 H200 Cl4 Fe4 N24 O24 -","4","2","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.1038","0.0919","","","0.2547","0.2699","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508898","15.749","0.002","15.991","0.002","16.15","0.003","61.74","0.02","63.39","0.02","62.81","0.03","3044.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Cl Fe N6 O6 -","- C58 H52 Cl Fe N6 O6 -","- C116 H104 Cl2 Fe2 N12 O12 -","2","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","0.71073","MoKα","","0.0607","0.044","","","0.1078","0.113","","","","","","0.946","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508899","14.0827","0.0012","16.3185","0.0017","16.6591","0.0018","62.671","0.012","75","0.02","71.377","0.019","3194.3","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 Cl Fe N6 O6 -","- C59 H54 Cl Fe N6 O6 -","- C118 H108 Cl2 Fe2 N12 O12 -","2","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.0864","0.0775","","","0.2092","0.2225","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508900","15.2","0.0013","16.065","0.0015","16.305","0.0016","115.096","0.008","116.65","0.001","94.005","0.004","3051.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl Fe N6 O6 -","- C60 H56 Cl Fe N6 O6 -","- C120 H112 Cl2 Fe2 N12 O12 -","2","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.0868","0.0804","","","0.2083","0.2204","","","","","","1.113","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508901","13.2153","0.0016","7.6831","0.0008","12.8817","0.0018","90","","107.622","0.008","90","","1246.6","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin","Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.","Organic letters","2013","15","3","642","645","10.1021/ol303463e","","","1.54178","CuKα","","0.0398","0.0374","","","0.0994","0.1027","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508902","7.5741","0.0003","13.7438","0.0005","21.7946","0.0007","90","","90","","90","","2268.75","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C96 H80 N32 O8 -","8","1","","Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin","Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.","Organic letters","2013","15","3","642","645","10.1021/ol303463e","","","1.54178","CuKα","","0.0567","0.0446","","","0.1187","0.1285","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508903","15.8197","0.0005","12.6493","0.0004","7.2819","0.0002","90","","95.363","0.001","90","","1450.79","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C64 H60 Br4 N8 O8 -","4","1","","Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin","Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.","Organic letters","2013","15","3","642","645","10.1021/ol303463e","","","1.54178","CuKα","","0.0474","0.0469","","","0.1213","0.122","","","","","","1.204","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508904","10.3793","0.0001","10.3793","0.0001","25.352","0.0007","90","","90","","90","","2731.17","0.08","97","2","97","2","","","","","","","","4","P 43","P 4cw","78","","(4R,5S)-3-((S)-3-(5-(benzyloxy)-7-methoxy-2-methyl- 4-oxo-4H-chromen-6-yl)-2-methylpropanoyl)-4-methyl-5- phenyloxazolidin-2-one","","- C32 H31 N O7 -","- C32 H31 N O7 -","- C128 H124 N4 O28 -","4","1","","Kim, U. Bin; Furkert, Daniel P.; Brimble, Margaret A.","Total synthesis of chaetoquadrins a-C.","Organic letters","2013","15","3","658","661","10.1021/ol303482k","","","0.71073","MoKα","","0.025","0.0243","","","0.0618","0.0622","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508905","10.8314","0.0008","15.999","0.0012","12.6094","0.0009","90","","115.323","0.002","90","","1975.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1a in manuscript","","","- C16 H20 N2 Se Si2 -","- C16 H20 N2 Se Si2 -","- C64 H80 N8 Se4 Si8 -","4","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0564","0.0343","","","0.0776","0.0855","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508906","10.4163","0.0009","17.0453","0.0014","15.4541","0.0013","90","","106.965","0.001","90","","2624.5","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2b in manuscript","","","- C26 H34 N2 Se Si2 -","- C26 H34 N2 Se Si2 -","- C104 H136 N8 Se4 Si8 -","4","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0597","0.0352","","","0.0731","0.0824","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508907","14.751","0.003","14.938","0.003","15.035","0.003","90","","105.604","0.005","90","","3190.9","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1c in manuscript","","","- C28 H44 N2 Se Si2 -","- C28 H44 N2 Se Si2 -","- C112 H176 N8 Se4 Si8 -","4","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0711","0.0485","","","0.1217","0.1348","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508908","14.8139","0.0008","15.1816","0.0008","30.2664","0.0017","90","","93.844","0.001","90","","6791.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2c in manuscript","","","- C32 H46 N2 Se Si2 -","- C32 H46 N2 Se Si2 -","- C256 H368 N16 Se8 Si16 -","8","2","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0818","0.0458","","","0.1109","0.1262","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508909","8.1957","0.0016","13.139","0.003","17.152","0.003","78.547","0.004","81.601","0.004","80.832","0.004","1774.5","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","3c in manuscript","","","- C36 H48 N2 Se Si2 -","- C36 H48 N2 Se Si2 -","- C72 H96 N4 Se2 Si4 -","2","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.068","0.0419","","","0.0912","0.1003","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508910","9.0805","0.0004","12.4223","0.0006","16.7125","0.0008","71.73","0.001","83.493","0.001","81.475","0.001","1765.88","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","4c in manuscript","","","- C34 H46 N4 Se Si2 -","- C34 H46 N4 Se Si2 -","- C68 H92 N8 Se2 Si4 -","2","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0615","0.0391","","","0.0961","0.1055","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508911","8.2003","0.0008","13.1453","0.0014","17.1892","0.0016","78.043","0.003","81.532","0.003","80.552","0.003","1775.8","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","""consanguine of 3c"" in manuscript","","","- C36 H48 N2 S Si2 -","- C36 H48 N2 S Si2 -","- C72 H96 N4 S2 Si4 -","2","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.1296","0.0609","","","0.112","0.1372","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508912","10.9383","0.0018","9.6552","0.0016","19.32","0.003","90","","104.308","0.003","90","","1977.1","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O6 -","- C22 H17 N3 O6 -","- C88 H68 N12 O24 -","4","1","","Shu, Wen-Ming; Yang, Yan; Zhang, Dong-Xue; Wu, Liu-Ming; Zhu, Yan-Ping; Yin, Guo-Dong; Wu, An-Xin","Highly Efficient Synthesis of 3a,6a-Dihydrofuro[2,3-b]furans via a Novel Bicyclization.","Organic letters","2013","15","3","456","459","10.1021/ol400016c","","","0.71073","MoKα","","0.0643","0.0508","","","0.1617","0.177","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508913","10.877","0.003","9.556","0.003","19.596","0.006","90","","106.11","","90","","1956.8","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br N2 O4 -","- C22 H17 Br N2 O4 -","- C88 H68 Br4 N8 O16 -","4","1","","Shu, Wen-Ming; Yang, Yan; Zhang, Dong-Xue; Wu, Liu-Ming; Zhu, Yan-Ping; Yin, Guo-Dong; Wu, An-Xin","Highly Efficient Synthesis of 3a,6a-Dihydrofuro[2,3-b]furans via a Novel Bicyclization.","Organic letters","2013","15","3","456","459","10.1021/ol400016c","","","0.71073","MoKα","","0.0703","0.0449","","","0.1058","0.1182","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508914","10.8804","0.0015","5.4346","0.0007","31.653","0.004","90","","91.258","0.002","90","","1871.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C88 H64 N8 O16 -","4","1","","Shu, Wen-Ming; Yang, Yan; Zhang, Dong-Xue; Wu, Liu-Ming; Zhu, Yan-Ping; Yin, Guo-Dong; Wu, An-Xin","Highly Efficient Synthesis of 3a,6a-Dihydrofuro[2,3-b]furans via a Novel Bicyclization.","Organic letters","2013","15","3","456","459","10.1021/ol400016c","","","0.71073","MoKα","","0.0662","0.0607","","","0.1606","0.1642","","","","","","1.121","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508915","10.54","0.0009","13.2962","0.0012","13.7619","0.0013","71.577","0.002","89.697","0.002","69.957","0.002","1707.4","0.3","15","2","15","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H44 N2 O8 S -","- C38 H44 N2 O8 S -","- C76 H88 N4 O16 S2 -","2","2","","Rajapaksa, Naomi S.; McGowan, Meredeth A.; Rienzo, Matthew; Jacobsen, Eric N.","Enantioselective total synthesis of (+)-reserpine.","Organic letters","2013","15","3","706","709","10.1021/ol400046n","","","0.41328","synchrotron","","0.0571","0.0447","","","0.0954","0.1015","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508925","8.4382","0.0013","10.6416","0.0017","23.583","0.004","90","","90","","90","","2117.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Carter, Rich G.","Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.","Organic letters","2013","15","4","736","739","10.1021/ol303272w","","","0.71073","MoKα","","0.0303","0.0288","","","0.0722","0.0732","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508926","8.0743","0.0016","10.233","0.002","20.798","0.004","90","","90","","90","","1718.4","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 S -","- C19 H24 O5 S -","- C76 H96 O20 S4 -","4","1","","Saha, Mrinmoy; Carter, Rich G.","Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.","Organic letters","2013","15","4","736","739","10.1021/ol303272w","","","0.71073","MoKα","","0.0339","0.0322","","","0.0824","0.0839","","","","","","1.069","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508927","8.0553","0.0009","10.1921","0.0011","21.862","0.002","90","","90","","90","","1794.9","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 S -","- C19 H26 O6 S -","- C76 H104 O24 S4 -","4","1","","Saha, Mrinmoy; Carter, Rich G.","Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.","Organic letters","2013","15","4","736","739","10.1021/ol303272w","","","0.71073","MoKα","","0.0261","0.0257","","","0.0702","0.0707","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508928","7.0625","0.0004","10.8486","0.0006","18.2963","0.0008","90","","94.908","0.005","90","","1396.69","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CBTA.BPE-1","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R.","A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal.","Organic letters","2013","15","4","744","747","10.1021/ol303283s","","","0.7107","MoKα","","0.0908","0.0524","","","0.1103","0.1311","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508929","7.3377","0.0004","11.3673","0.0007","18.0101","0.0011","74.38","0.005","90.072","0.005","70.386","0.005","1355.82","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","CBTA-BPE-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R.","A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal.","Organic letters","2013","15","4","744","747","10.1021/ol303283s","","","0.7107","MoKα","","0.1213","0.0818","","","0.1994","0.2291","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508930","9.131","0.005","11.006","0.006","15.272","0.007","99.5","0.03","98.7","0.02","110.13","0.03","1384.9","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cbta.4,4'-tpcb","rctt-cyclobutane-1,2,3,4-tetracarboxylic acid rctt-tetrakis(4-pyridyl)cyclobutane","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R.","A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal.","Organic letters","2013","15","4","744","747","10.1021/ol303283s","","","0.71073","MoKα","","0.2534","0.1189","","","0.2186","0.2754","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508931","26.5331","0.0009","8.0048","0.0003","9.7571","0.0004","90","","97.575","0.002","90","","2054.25","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H13 Cl4 N2 O3 -","- C21 H13 Cl4 N2 O3 -","- C84 H52 Cl16 N8 O12 -","4","1","","Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C.","Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp.","Organic letters","2013","15","5","988","991","10.1021/ol303374e","","","1.54178","CuKα","","0.0377","0.0352","","","0.0872","0.0891","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508932","7.649","0.0007","11.8911","0.001","12.6157","0.0011","105.779","0.001","98.658","0.001","92.067","0.001","1088.06","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H14 Cl4 N2 O5 -","- C22 H14 Cl4 N2 O5 -","- C44 H28 Cl8 N4 O10 -","2","2","","Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C.","Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp.","Organic letters","2013","15","5","988","991","10.1021/ol303374e","","","0.71073","MoKα","","0.0348","0.0334","","","0.0822","0.0839","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508933","7.7215","0.0003","7.90305","0.00019","16.5104","0.0004","90","","101.898","0.0016","90","","985.87","0.05","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Orimoto, Kohei; Oyama, Harufumi; Namera, Yuki; Niwa, Takashi; Nakada, Masahisa","Catalytic Asymmetric [4 + 2] Cycloadditions and Hosomi-Sakurai Reactions of α-Alkylidene β-Keto Imides.","Organic letters","2013","15","4","768","771","10.1021/ol303381c","","","1.54187","CuKα","","","0.0549","","","","0.143","","","","","","1.175","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508934","16.6508","0.0012","12.0775","0.0009","14.6164","0.0011","90","","109.539","0.001","90","","2770.1","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","Liu, Xu; Zhang, Qian; Zhang, Dingyuan; Xin, Xiaoqing; Zhang, Rui; Zhou, Fenguo; Dong, Dewen","PPA-Mediated C-C Bond Formation: A Synthetic Route to Substituted Indeno[2,1-c]quinolin-6(7H)-ones.","Organic letters","2013","15","4","776","779","10.1021/ol303423f","","","0.71073","MoKα","","0.0908","0.0606","","","0.1748","0.1995","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508935","5.3516","0.0009","19.434","0.003","13.261","0.002","90","","95.518","0.002","90","","1372.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 O10 S -","- C28 H34 O10 S -","- C56 H68 O20 S2 -","2","1","","Chooi, Yit-Heng; Fang, Jinxu; Liu, Hong; Filler, Scott G.; Wang, Pin; Tang, Yi","Genome Mining of a Prenylated and Immunosuppressive Polyketide from Pathogenic Fungi.","Organic letters","2013","15","4","780","783","10.1021/ol303435y","","","0.71073","MoKα","","0.0563","0.05","","","0.1302","0.1356","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508936","11.84571","0.00019","13.0433","0.0002","17.6965","0.0003","90","","90","","90","","2734.24","0.08","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O7 -","- C32 H34 O7 -","- C128 H136 O28 -","4","1","","Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng","Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal.","Organic letters","2013","15","5","1000","1003","10.1021/ol3034466","","","1.54184","CuKα","","0.0505","0.0499","","","0.1373","0.1379","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508937","8.06899","0.00012","9.64395","0.00014","15.6052","0.0003","90","","90","","90","","1214.35","0.03","157","2","157","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng","Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal.","Organic letters","2013","15","5","1000","1003","10.1021/ol3034466","","","1.54184","CuKα","","0.0262","0.026","","","0.0684","0.0686","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508938","8.10822","0.00015","13.8133","0.0003","15.9269","0.0003","90","","90","","90","","1783.83","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 O3 P -","- C20 H23 O3 P -","- C80 H92 O12 P4 -","4","1","","Sawada, Takashi; Nakada, Masahisa","Enantioselective Total Synthesis of (+)-Colletoic Acid via Catalytic Asymmetric Intramolecular Cyclopropanation of an α-Diazo-β-keto Diphenylphosphine Oxide.","Organic letters","2013","15","5","1004","1007","10.1021/ol303459x","","","1.54187","CuKα","","","0.0325","","","","0.0879","","","","","","1.134","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508939","10.963","0.003","11.569","0.004","17.41","0.005","90","","90","","90","","2208.1","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H36 N2 O2 S Si -","- C17 H36 N2 O2 S Si -","- C68 H144 N8 O8 S4 Si4 -","4","1","","Cornwall, Richard G.; Zhao, Baoguo; Shi, Yian","Catalytic asymmetric synthesis of cyclic sulfamides from conjugated dienes.","Organic letters","2013","15","4","796","799","10.1021/ol303469a","","","0.71073","MoKα","","0.036","0.0312","","","0.0857","0.0892","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508940","7.0896","0.0004","9.732","0.0009","11.0373","0.0009","99.588","0.004","91.694","0.004","96.224","0.004","745.58","0.1","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 Br2 O2 -","- C19 H12 Br2 O2 -","- C38 H24 Br4 O4 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0651","0.0519","","0.0486","0.0477","0.0477","","","","","","1.1665","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508941","7.0844","0.0002","10.1531","0.0004","10.6861","0.0004","105.788","0.0017","98.355","0.002","96.968","0.002","721.27","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C40 H24 N4 O4 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0587","0.0467","","0.0658","0.0573","0.0573","","","","","","1.0696","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508942","6.8305","0.0002","11.0589","0.0005","19.8828","0.0009","90","","90","","90","","1501.9","0.11","120","","120","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- C21 H12 N2 O2 -","- C21 H12 N2 O2 -","- C84 H48 N8 O8 -","4","0.5","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0599","0.0416","","0.0514","0.0495","0.0495","","","","","","1.0809","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508943","15.5468","0.001","10.7779","0.001","10.234","0.0008","90","","114.524","0.005","90","","1560.1","0.2","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 O2 -","- C10 H9 O2 -","- C80 H72 O16 -","8","1","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0628","0.0428","","0.0603","0.0532","0.0532","","","","","","1.0806","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508944","11.3553","0.0006","7.1744","0.0005","11.5613","0.0008","90","","119.414","0.003","90","","820.46","0.09","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C44 H36 O8 -","2","0.5","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0721","0.0507","","0.0604","0.0593","0.0593","","","","","","1.0725","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508945","9.0368","0.0003","9.2187","0.0005","13.518","0.0006","90","","97.088","0.002","90","","1117.55","0.09","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N4 -","- C28 H22 N4 -","- C56 H44 N8 -","2","0.5","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.1173","0.0783","","0.1221","0.0988","0.0988","","","","","","1.0775","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508946","17.131","0.003","10.7442","0.0018","14.687","0.002","90","","93.702","0.006","90","","2697.6","0.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 N3 O -","- C37 H25 N3 O -","- C148 H100 N12 O4 -","4","1","","Ghosh, Avijit; Chatterjee, Tamal; Lee, Way-Zen; Ravikanth, Mangalampalli","Unusual formation of 21-oxacorrole from 21-oxaporphyrin induced by phosphoryl chloride.","Organic letters","2013","15","5","1040","1043","10.1021/ol303527v","","","0.71073","MoKα","","0.0787","0.0476","","","0.1261","0.1548","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508947","10.25","0.0006","10.486","0.0006","16.7877","0.0011","90","","114.815","0.004","90","","1637.77","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N O3 -","- C19 H16 Cl N O3 -","- C76 H64 Cl4 N4 O12 -","4","1","","Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhang, Jingping","N-Bromosuccinimide/1,8-Diazabicyclo[5.4.1]undec-7-ene Combination: β-Amination of Chalcones via a Tandem Bromoamination/Debromination Sequence.","Organic letters","2013","15","4","852","855","10.1021/ol303539u","","","0.71073","MoKα","","0.0463","0.035","","","0.0853","0.0926","","","","","","1.018","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1508948","8.8897","0.0013","17.783","0.003","10.6532","0.0015","90","","112.329","0.002","90","","1557.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro","Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile.","Organic letters","2013","15","4","856","859","10.1021/ol303546p","","","0.71073","MoKα","","0.059","0.0471","","","0.1361","0.1446","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508949","10.1765","0.0009","16.6581","0.0014","10.2059","0.0009","90","","114.481","0.001","90","","1574.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro","Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile.","Organic letters","2013","15","4","856","859","10.1021/ol303546p","","","0.71073","MoKα","","0.055","0.0488","","","0.1447","0.1519","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508950","9.459","0.003","10.483","0.003","11.488","0.003","94.23","0.005","97.208","0.005","116.495","0.004","1000.6","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O -","- C27 H19 N O -","- C54 H38 N2 O2 -","2","1","","Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro","Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile.","Organic letters","2013","15","4","856","859","10.1021/ol303546p","","","0.71073","MoKα","","0.054","0.0445","","","0.1312","0.1388","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508951","10.1388","0.001","10.3543","0.0011","10.8675","0.0012","98.858","0.002","115.501","0.002","99.511","0.002","982.56","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 F4 N2 O2 -","- C22 H16 F4 N2 O2 -","- C44 H32 F8 N4 O4 -","2","1","","Yu, Daohong; Lu, Long; Shen, Qilong","Palladium-Catalyzed Coupling of Polyfluorinated Arenes with Heteroarenes via C-F/C-H Activation.","Organic letters","2013","15","4","940","943","10.1021/ol303567t","","","0.71073","MoKα","","0.0617","0.0442","","","0.1228","0.1352","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508952","7.9035","0.0006","9.5259","0.0008","10.3445","0.0008","103.883","0.002","105.781","0.002","98.414","0.002","708.66","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 F2 N2 O -","- C18 H10 F2 N2 O -","- C36 H20 F4 N4 O2 -","2","1","","Yu, Daohong; Lu, Long; Shen, Qilong","Palladium-Catalyzed Coupling of Polyfluorinated Arenes with Heteroarenes via C-F/C-H Activation.","Organic letters","2013","15","4","940","943","10.1021/ol303567t","","","0.71073","MoKα","","0.0445","0.0402","","","0.1113","0.1156","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508953","13.5018","0.0009","16.1917","0.0012","8.5746","0.0006","90","","96.006","0.002","90","","1864.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Liu, Yuchen; Zhen, Wencui; Dai, Wei; Wang, Fen; Li, Xingwei","Silver(I)-catalyzed addition-cyclization of alkyne-functionalized azomethines.","Organic letters","2013","15","4","874","877","10.1021/ol4000108","","","0.71073","MoKα","","0.0657","0.0582","","","0.1821","0.1903","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508954","11.0475","0.0003","8.7287","0.0002","16.2757","0.0006","90","","98.023","0.003","90","","1554.11","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Liu, Yuchen; Zhen, Wencui; Dai, Wei; Wang, Fen; Li, Xingwei","Silver(I)-catalyzed addition-cyclization of alkyne-functionalized azomethines.","Organic letters","2013","15","4","874","877","10.1021/ol4000108","","","0.71073","MoKα","","0.0557","0.0402","","","0.1134","0.1219","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508955","8.0877","0.0016","8.3009","0.0017","37.117","0.007","90","","90","","90","","2491.9","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O8 -","- C25 H28 N2 O8 -","- C100 H112 N8 O32 -","4","1","","Yang, Shouliang; Xi, Yumeng; Zhu, Rong; Wang, Lin; Chen, Jiahua; Yang, Zhen","Asymmetric Total Syntheses of Ansamacrolactams (+)-Q-1047H-A-A and (+)-Q-1047H-R-A.","Organic letters","2013","15","4","812","815","10.1021/ol400038h","","","0.71073","MoKα","","0.0578","0.0545","","","0.1208","0.1227","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508956","7.2756","0.0003","14.0819","0.0006","19.2518","0.0008","90","","90","","90","","1972.43","0.14","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C96 H72 N8 O32 -","8","2","","Tsui, Gavin Chit; Ninnemann, Nina M.; Hosotani, Akihito; Lautens, Mark","Expedient Synthesis of Chiral Oxazolidinone Scaffolds via Rhodium-Catalyzed Asymmetric Ring-Opening with Sodium Cyanate.","Organic letters","2013","15","5","1064","1067","10.1021/ol4000668","","","1.54178","CuKα","","0.0263","0.026","","","0.0657","0.066","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508957","6.9888","0.0001","10.8795","0.0002","19.1331","0.0004","92.887","0.001","91.033","0.001","90.132","0.001","1452.69","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl Hg N O3 -","- C13 H13.5 Cl Hg N O3 -","- C52 H54 Cl4 Hg4 N4 O12 -","4","2","","Atta, Ananta Kumar; Kim, Seul-Bi; Heo, Jungseok; Cho, Dong-Gyu","Hg(II)-Mediated Intramolecular Cyclization Reaction in Aqueous Media and Its Application as Hg(II) Selective Indicator.","Organic letters","2013","15","5","1072","1075","10.1021/ol4000873","","","0.71073","MoKα","","0.0773","0.0453","","","0.1227","0.1459","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508958","11.06","0.003","18.268","0.005","21.576","0.006","90","","90","","90","","4359","2","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O2 P S -","- C26 H24 N O2 P S -","- C208 H192 N8 O16 P8 S8 -","8","1","","Matano, Yoshihiro; Ohkubo, Hiroshi; Honsho, Yoshihito; Saito, Arihiro; Seki, Shu; Imahori, Hiroshi","Synthesis and Charge-Carrier Transport Properties of Poly(phosphole P-alkanesulfonylimide)s.","Organic letters","2013","15","4","932","935","10.1021/ol4000982","","","0.7107","MoKα","","0.0704","0.0568","","","0.1424","0.1516","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508959","23.455","0.0015","8.3832","0.0005","17.46","0.0011","90","","109.101","0.001","90","","3244.1","0.4","298","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C144 H144 N16 O16 S8 -","8","1","","Kong, Chen; Jana, Navendu; Driver, Tom G.","Rh(2)(II)-Catalyzed Selective Aminomethylene Migration from Styryl Azides.","Organic letters","2013","15","4","824","827","10.1021/ol400137q","","","0.71073","MoKα","","0.1078","0.0479","","","0.0939","0.1117","","","","","","0.89","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508960","15.8095","0.0018","13.1111","0.0015","8.6534","0.001","90","","98.017","0.001","90","","1776.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Dimethyl-5-thiazolyl)-2-(2-cyano-1,5- dimethyl-4-pyrryl)perfluorocyclopentene","","- C17 H13 F6 N3 S -","- C17 H13 F6 N3 S -","- C68 H52 F24 N12 S4 -","4","1","","Liu, Gang; Pu, Shouzhi; Wang, Renjie","Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings.","Organic letters","2013","15","5","980","983","10.1021/ol400188h","","","0.71073","MoKα","","0.0898","0.0626","","","0.1866","0.2074","","","","","","1.356","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508961","16.432","0.002","13.0362","0.0017","8.6933","0.0012","90","","93.67","0.002","90","","1858.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,5-dimethyl-3-thienyl)-2-(2-cyano-1,5- dimethyl-4-pyrryl)perfluorocyclopentene","","- C18 H14 F6 N2 S -","- C18 H14 F6 N2 S -","- C72 H56 F24 N8 S4 -","4","1","","Liu, Gang; Pu, Shouzhi; Wang, Renjie","Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings.","Organic letters","2013","15","5","980","983","10.1021/ol400188h","","","0.71073","MoKα","","0.0804","0.0478","","","0.1192","0.1441","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508962","16.571","0.003","13.208","0.003","8.2626","0.0017","90","","90.383","0.002","90","","1808.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1-methylphenyl)-2-(2-cyano-1,5- dimethyl-4-pyrryl)perfluorocyclopentene","","- C19 H14 F6 N2 -","- C19 H14 F6 N2 -","- C76 H56 F24 N8 -","4","1","","Liu, Gang; Pu, Shouzhi; Wang, Renjie","Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings.","Organic letters","2013","15","5","980","983","10.1021/ol400188h","","","0.71073","MoKα","","0.1535","0.0717","","","0.192","0.2481","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508963","8.0432","0.0004","16.9675","0.0007","12.9693","0.0007","90","","105.807","0.006","90","","1703.03","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-methyl-3-pyridyl)-2-(2-cyano-1,5- dimethyl-4-pyrryl)perfluorocyclopentene","","- C18 H13 F6 N3 -","- C18 H13 F6 N3 -","- C72 H52 F24 N12 -","4","1","","Liu, Gang; Pu, Shouzhi; Wang, Renjie","Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings.","Organic letters","2013","15","5","980","983","10.1021/ol400188h","","","0.71073","MoKα","","0.063","0.0403","","","0.0992","0.115","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508964","8.4742","0.0001","11.5299","0.0002","10.6213","0.0001","90","","103.223","0.001","90","","1010.26","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C50 H48 O8 -","2","1","","Zhang, Shan-Jun; Zhang, Jun; Zhou, Qing-Qing; Dong, Lin; Chen, Ying-Chun","Aminocatalytic Asymmetric exo-Diels-Alder Reaction with Methiodide Salts of Mannich Bases and 2,4-Dienals to Construct Chiral Spirocycles.","Organic letters","2013","15","4","968","971","10.1021/ol4002015","","","1.54184","CuKα","","0.0327","0.0326","","","0.087","0.0871","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508965","16.0215","0.0015","5.7478","0.0003","19.227","0.006","90","","96.725","0.017","90","","1758.4","0.6","112","19","112","19","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 Br N2 O3 S -","- C17 H19 Br N2 O3 S -","- C68 H76 Br4 N8 O12 S4 -","4","1","","Gu, Peiming; Sun, Jian; Kang, Xiao-Yan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui","A Formal Metal-Free N-Arylation via the Schmidt Reaction of Aromatic Aldehydes with an Azido Amine.","Organic letters","2013","15","5","1124","1127","10.1021/ol400213f","","","0.7107","MoKα","","0.0437","0.0352","","","0.0778","0.0828","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508966","12.2865","0.0019","14.517","0.002","21.752","0.003","81.286","0.003","73.769","0.003","89.591","0.003","3679.6","0.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H55 Cl Ir N3 P2 -","- C29 H55 Cl Ir N3 P2 -","- C116 H220 Cl4 Ir4 N12 P8 -","4","2","","Guo, Le; Liu, Yinghua; Yao, Wubing; Leng, Xuebing; Huang, Zheng","Iridium-Catalyzed Selective α-Alkylation of Unactivated Amides with Primary Alcohols.","Organic letters","2013","15","5","1144","1147","10.1021/ol400360g","","","0.71073","MoKα","","0.1561","0.073","","","0.1874","0.2311","","","","","","0.89","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508967","8.0462","0.0009","10.9096","0.0012","18.613","0.002","83.081","0.002","79.417","0.002","71.196","0.002","1517.1","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H54 Ir N3 P2 -","- C29 H54 Ir N3 P2 -","- C58 H108 Ir2 N6 P4 -","2","1","","Guo, Le; Liu, Yinghua; Yao, Wubing; Leng, Xuebing; Huang, Zheng","Iridium-Catalyzed Selective α-Alkylation of Unactivated Amides with Primary Alcohols.","Organic letters","2013","15","5","1144","1147","10.1021/ol400360g","","","0.71073","MoKα","","0.0464","0.0386","","","0.1128","0.1184","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508968","7.3452","0.0009","9.9405","0.0013","18.551","0.002","90","","90","","90","","1354.5","0.3","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Keilitz, Juliane; Newman, Stephen G.; Lautens, Mark","Enantioselective rh-catalyzed domino transformations of alkynylcyclohexadienones with organoboron reagents.","Organic letters","2013","15","5","1148","1151","10.1021/ol400363f","","","0.71073","MoKα","","0.0282","0.0227","","","0.0374","0.0381","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508985","3.806","","3.806","","3.806","","90","","90","","90","","55.132","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Silver indium praseodymium (0.5/0.5/1)","","- Ag0.5 In0.5 Pr -","- Ag0.5 In0.5 Pr -","- Ag0.5 In0.5 Pr -","1","0.0208333","","Fujii, H.; Okamoto, T.; Yagasaki, K.; Uwatoko, Y.; Kadena, Y.","Crystallographic transformations and electronic properties of the Cs Cl - type compounds Pr Ag1-x Inx","Journal of Physics F","1985","15","","651","660","10.1088/0305-4608/15/3/017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509032","3.24","","3.24","","3.24","","90","","90","","90","","34.012","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Silver aluminum (0.75/0.25) - HT","","- Ag0.75 Al0.25 -","- Ag0.75 Al0.25 -","- Ag1.5 Al0.5 -","2","0.0208333","","Volk, K.E.; Hofmann, W.","Roentgenographische Untersuchung der Umwandlungen in Aluminium-Silber-Legierungen","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1936","15","","699","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509229","6.3","","6.3","","6.3","","90","","90","","90","","250.047","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ag Be2 -","- Ag Be2 -","- Ag8 Be16 -","8","0.0416667","","Misch, L.","Kristallstrukurelle Untersuchungen von einigen Berylliumlegierungen","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1936","15","","163","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509697","7.004","","10.547","","4.917","","90","","91.44","","90","","363.11","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Ag2 (Te O3)","","- Ag2 O3 Te -","- Ag2 O3 Te -","- Ag8 O12 Te4 -","4","1","","Masse, R.; Trodjman, I.; Guitel, J.C.","Preparation chimique et structure cristalline des tellurites de sodium et d'argent: Na2 Te O3, Ag2 Te O3","Materials Research Bulletin","1980","15","","431","436","10.1016/0025-5408(80)90048-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509722","3.709","","3.709","","9.251","","90","","90","","90","","127.263","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ag2 Tb -","- Ag2 Tb -","- Ag4 Tb2 -","2","0.0625","","Iandelli, A.; Palenzona, A.","On the occurence of the MX2 phases of the rare earths with the IB, IIB and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","10.1016/0022-5088(68)90186-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509727","4.663","","7.211","","8.184","","90","","90","","90","","275.186","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Yb -","- Ag2 Yb -","- Ag8 Yb4 -","4","0.25","","Palenzona, A.; Iandelli, A.","On the occurence of the MX2 phases of the rare earths with the IB, IIB, and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","10.1016/0022-5088(68)90186-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509821","6.616","0.003","8.214","0.002","33.03","0.03","90","","90","","90","","1795","1.9","298","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N2 O5 -","- C18 H18 Cu N2 O5 -","- C72 H72 Cu4 N8 O20 -","4","1","","Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós","X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers","Polyhedron","1996","15","","4407","4413","10.1016/0277-5387(96)00212-4","","","0.71073","MoKα","","","0.074","","","","0.07","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509822","6.15","0.002","9.426","0.002","28.448","0.004","90","","90","","90","","1649.1","0.7","298","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N2 O5 -","- C18 H18 Cu N2 O5 -","- C72 H72 Cu4 N8 O20 -","4","1","","Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós","X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers","Polyhedron","1996","15","","4407","4413","10.1016/0277-5387(96)00212-4","","","0.71073","MoKα","","","0.057","","","","0.055","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510411","2.7078","","2.7078","","4.7534","","90","","90","","120","","30.183","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Au Zn19)0.1","","- Au0.1 Zn1.9 -","- Au0.108 Zn1.892 -","- Au0.108 Zn1.892 -","1","0.0416667","","Owen, E.A.; Davies, D.A.","An X-ray investigation on the solid solutions of certain elements in zinc","British Journal of Applied Physics","1964","15","","1309","1314","10.1088/0508-3443/15/11/307","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510478","3.63","","3.63","","8.891","","90","","90","","90","","117.156","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Yb -","- Au2 Yb -","- Au4 Yb2 -","2","0.0625","","Palenzona, A.; Iandelli, A.","On the occurrence of the MX2 phases of the rare earths with the IB, IIB and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","10.1016/0022-5088(68)90186-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510571","5.092","","5.092","","14.333","","90","","90","","120","","321.843","","","","","","","","","","","","","2","R 3 :H","R 3","146","","","","- Au5 Sn -","- Au5 Sn -","- Au15 Sn3 -","3","0.333333","","Yamaguchi, S.; Hirabayashi, M.; Osada, K.","An ordered stucture of Au5 Sn","Transactions of the Japan Institute of Metals","1974","15","","256","260","10.2320/matertrans1960.15.256","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510631","8.418","","8.418","","9.132","","90","","90","","120","","560.421","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr Co3 B2","","- B2 Co3 Zr -","- B2 Co3 Zr -","- B18 Co27 Zr9 -","9","0.5","","Kuz'ma, Yu.B.; Kripyakevich, P.I.; Voroshilov, Yu.V.","Crystal structures of Zr Co3 B2 and Hf Co3 B2","Kristallografiya","1970","15","","934","938","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510751","5.809","","5.229","","6.284","","90","","90","","90","","190.878","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Ru B2","","- B2 Lu Ru -","- B2 Lu Ru -","- B8 Lu4 Ru4 -","4","0.5","","Ku, H.C.; Shelton, R.N.","Crystal structure of Lu Ru B2","Materials Research Bulletin","1980","15","","1445","1452","10.1016/0025-5408(80)90100-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510808","12.786","","4.955","","5.472","","90","","97.03","","90","","344.07","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Pd5 B2","","- B2 Pd5 -","- B2 Pd5 -","- B8 Pd20 -","4","0.5","","Stenberg, E.","The crystal structures of Pd5 B2, (Mn5 C2) and Pd3 B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1961","15","","861","870","10.3891/acta.chem.scand.15-0861","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511272","7.38","","7.38","","9.35","","90","","90","","90","","509.242","","","","","","","","","","","","","3","P 41","P 4w","76","","Tl (B O2)","","- B O2 Tl -","- B O2 Tl -","- B8 O16 Tl8 -","8","2","","Amoussou, D.; Touboul, M.","Structure cristalline de Tl B O2","Revue de Chimie Minerale","1978","15","","223","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511455","7.718","","4.444","","6.79","","90","","112.8","","90","","214.692","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","K (Be2 (B O3) F2)","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B2 Be4 F4 K2 O6 -","2","0.5","","Bakakin, V.V.; Solov'eva, L.P.","Crystal structure of potassium boratofluoroberyllate, K Be2 (B O3) F2","Kristallografiya","1970","15","","922","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511723","5.972","","11.46","","3.461","","90","","90","","90","","236.868","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Y Cr B4","","- B4 Cr Y -","- B4 Cr Y -","- B16 Cr4 Y4 -","4","0.5","","Kuz'ma, Yu.B.","Crystal structure of the compound Y Cr B4 and its anlalogs","Kristallografiya","1970","15","","372","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511725","2.986","","13.02","","2.952","","90","","90","","90","","114.767","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","Cr3 B4","","- B4 Cr3 -","- B4 Cr3 -","- B8 Cr6 -","2","0.125","","Elfstroem, M.","The Crystal Structure of Cr3 B4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1961","15","","1178","1178","10.3891/acta.chem.scand.15-1178","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511761","5.036","0.004","9.626","0.01","8.128","0.004","74.65","0.05","88.96","0.04","84.65","0.09","378.3","0.5","292","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Fe N4 O12 -","- C10 H14 Fe N4 O12 -","- C10 H14 Fe N4 O12 -","1","0.5","","Enrique J. Baran; Roberto C. Mercader; Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Crystal Structure, Raman and 57Fe Mössbauer Spectra of the FeII Complex of Iso-orotic Acid","Polyhedron","1996","15","","1717","1721","10.1016/0277-5387(95)00402-5","","","0.71073","MoKα","","0.095","0.078","","","","0.087","","","","","","1.58","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511848","7.628","0.004","16.031","0.009","16.085","0.009","105.723","0.009","95.4081","0.001","96.799","0.008","1863.5","1.8","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","","Ogata, Kenichi; Shimada, Daisuke; Furuya, Shouichi; Fukuzawa, Shin-ichi","Nickel-catalyzed ring-opening alkylative coupling of enone with methylenecyclopropane in the presence of triethylborane.","Organic letters","2013","15","6","1182","1185","10.1021/ol303548x","","","0.71075","MoKα","","0.123","0.0837","","","0.175","0.1981","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511849","15.6976","0.0007","25.2314","0.001","35.5709","0.0017","90","","94.636","0.003","90","","14042.6","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32.5 H47.625 N8 O5.6875 -","- C32.5 H47.625 N8 O5.6875 -","- C520 H762 N128 O91 -","16","8","","Chouhan, Gagan; James, Keith","Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization.","Organic letters","2013","15","6","1206","1209","10.1021/ol303572t","","","1.54178","CuKα","","0.1237","0.0875","","","0.2341","0.2691","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1511850","17.5134","0.0004","17.8594","0.0003","24.2187","0.0005","90","","90","","90","","7575.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.375 H52.25 Cl N8 O6.25 -","- C34.375 H52.25 Cl N8 O6.25 -","- C275 H418 Cl8 N64 O50 -","8","2","","Chouhan, Gagan; James, Keith","Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization.","Organic letters","2013","15","6","1206","1209","10.1021/ol303572t","","","1.54178","CuKα","","0.0594","0.0509","","","0.124","0.1309","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511851","15.0672","0.0003","15.6539","0.0004","17.4818","0.0004","97.737","0.001","99.263","0.001","97.544","0.001","3982.82","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36.25 H54 F3 N8 O6.25 -","- C36.25 H54 F3 N8 O6.25 -","- C145 H216 F12 N32 O25 -","4","4","","Chouhan, Gagan; James, Keith","Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization.","Organic letters","2013","15","6","1206","1209","10.1021/ol303572t","","","1.54178","CuKα","","0.0743","0.0653","","","0.1746","0.1832","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511852","14.599","0.004","7.637","0.0019","20.16","0.005","90","","102.416","0.003","90","","2195.1","1","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O7 S -","- C22 H22 Br N O7 S -","- C88 H88 Br4 N4 O28 S4 -","4","2","","Yang, Wen; Yang, Yi; Du, Da-Ming","Squaramide-tertiary amine catalyzed asymmetric cascade sulfa-Michael/Michael addition via dynamic kinetic resolution: access to highly functionalized chromans with three contiguous stereocenters.","Organic letters","2013","15","6","1190","1193","10.1021/ol400025a","","","0.71073","MoKα","","0.0636","0.0585","","","0.1328","0.1382","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1511853","11.3882","0.0014","12.763","0.009","13.2168","0.0001","86.38","0.19","79.81","0.18","72.19","0.16","1800","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","RUPCY","dichlorobis(dicyclohexylphosphinomethylpyridine)-ruthenium(II)","","- C36 H56 Cl2 N2 P2 Ru -","- C36 H56 Cl2 N2 P2 Ru -","- C72 H112 Cl4 N4 P4 Ru2 -","2","1","","Iida, Kazuki; Miura, Takashi; Ando, Junki; Saito, Susumu","The Dual Role of Ruthenium and Alkali Base Catalysts in Enabling a Conceptually New Shortcut toN-Unsubstituted Pyrroles through Unmasked α-Amino Aldehydes","Organic Letters","2013","15","7","1436","","10.1021/ol4001262","","","0.7107","MoKα","","0.093","0.0616","","","0.135","0.163","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511854","13.9811","0.0005","14.0204","0.0005","15.849","0.0006","90","","95.903","0.003","90","","3090.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 -","- C36 H50 -","- C144 H200 -","4","0.5","","Wei, Junnian; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Construction of octaalkyl-substituted and decasubstituted all-cis-octatetraenes via linear dimerization of 1,4-dicopper-1,3-butadienes and subsequent cross-coupling with halides.","Organic letters","2013","15","6","1222","1225","10.1021/ol400140n","","","0.7107","MoKα","","0.0495","0.0425","","","0.0994","0.1048","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511855","9.87","0.002","9.2819","0.0019","18.478","0.004","90","","93.06","0.03","90","","1690.4","0.6","173","2","173","2","","","","","","","","2","P 1 2/n 1","-P 2yac","13","","","","- C40 H54 -","- C40 H54 -","- C80 H108 -","2","0.5","","Wei, Junnian; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Construction of octaalkyl-substituted and decasubstituted all-cis-octatetraenes via linear dimerization of 1,4-dicopper-1,3-butadienes and subsequent cross-coupling with halides.","Organic letters","2013","15","6","1222","1225","10.1021/ol400140n","","","0.71073","MoKα","","0.0612","0.0546","","","0.1261","0.1311","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511856","6.5377","0.0006","8.3477","0.0007","34.271","0.003","90","","90","","90","","1870.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Cl N2 O2 -","- C21 H22 Cl N2 O2 -","- C84 H88 Cl4 N8 O8 -","4","1","","León, Brian; Fong, Jiunn C. N.; Peach, Kelly C.; Wong, Weng Ruh; Yildiz, Fitnat H.; Linington, Roger G.","Development of quinoline-based disruptors of biofilm formation against Vibrio cholerae.","Organic letters","2013","15","6","1234","1237","10.1021/ol400150z","","","0.71073","MoKα","","0.0463","0.0382","","","0.0985","0.1047","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511857","6.2683","0.0005","10.5563","0.0017","13.972","0.002","92.725","0.002","101.373","0.003","105.089","0.002","870.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C40 H36 N4 O12 -","2","1","","Lin, Wei; Dou, Guo-Lan; Hu, Ming-Hua; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Facile, efficient, and diastereoselective synthesis of heterohelicene-like molecules.","Organic letters","2013","15","6","1238","1241","10.1021/ol400154j","","","0.71073","MoKα","","0.1172","0.0624","","","0.1544","0.1797","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511858","11.735","0.003","13.252","0.004","15.517","0.005","67.939","0.004","71.678","0.003","65.26","0.004","1995.4","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18.5 N2 O4.25 -","- C26 H18.5 N2 O4.25 -","- C104 H74 N8 O17 -","4","2","","Lin, Wei; Dou, Guo-Lan; Hu, Ming-Hua; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Facile, efficient, and diastereoselective synthesis of heterohelicene-like molecules.","Organic letters","2013","15","6","1238","1241","10.1021/ol400154j","","","0.71073","MoKα","","0.122","0.0534","","","0.1228","0.1663","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511859","9.8118","0.0003","8.1212","0.0002","10.115","0.0003","90","","104.002","0.003","90","","782.05","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C38 H40 O8 -","2","1","","Zhang, Da-Li; Zhou, Li-Yan; Quan, Jun-Min; Zhang, Wei; Gu, Lian-Quan; Huang, Zhi-Shu; An, Lin-Kun","Oxygen insertion of o-quinone under catalytic hydrogenation conditions.","Organic letters","2013","15","6","1162","1165","10.1021/ol400164e","","","1.54178","CuKα","","0.0324","0.0312","","","0.0816","0.0828","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511860","30.977","0.002","6.0722","0.0004","11.0436","0.0008","90","","91.291","0.001","90","","2076.8","0.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H17 Br N4 O4 S -","- C22 H17 Br N4 O4 S -","- C88 H68 Br4 N16 O16 S4 -","4","1","","Liu, Xiong-Li; Han, Wen-Yong; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereocontrolled construction of 3,3'-pyrrolidonyl spirooxindoles via organocatalytic domino Michael/cyclization reaction.","Organic letters","2013","15","6","1246","1249","10.1021/ol400183k","","","0.71073","MoKα","","0.0222","0.0209","","","0.0544","0.0547","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511861","18.44","0.004","7.7752","0.0013","18.306","0.004","90","","119.204","0.003","90","","2291","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O -","- C29 H26 N4 O -","- C116 H104 N16 O4 -","4","1","","Li, Ming; Lv, Xiu-Liang; Wen, Li-Rong; Hu, Zhi-Qiang","Direct solvent-free regioselective construction of pyrrolo[1,2-a][1,10]phenanthrolines based on isocyanide-based multicomponent reactions.","Organic letters","2013","15","6","1262","1265","10.1021/ol400191b","","","0.71073","MoKα","","0.0896","0.0719","","","0.141","0.1501","","","","","","1.182","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511862","32.688","0.02","7.675","0.004","19.377","0.011","90","","110.19","0.009","90","","4563","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cl N4 O2 -","- C26 H19 Cl N4 O2 -","- C208 H152 Cl8 N32 O16 -","8","1","","Li, Ming; Lv, Xiu-Liang; Wen, Li-Rong; Hu, Zhi-Qiang","Direct solvent-free regioselective construction of pyrrolo[1,2-a][1,10]phenanthrolines based on isocyanide-based multicomponent reactions.","Organic letters","2013","15","6","1262","1265","10.1021/ol400191b","","","0.71073","MoKα","","0.1569","0.1338","","","0.318","0.3335","","","","","","1.246","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511863","12.8977","0.0008","7.2069","0.0005","15.0389","0.0009","90","","100.506","0.006","90","","1374.47","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Yang, Weijun; Xu, Lijun; Chen, Zhengkai; Zhang, Lili; Miao, Maozhong; Ren, Hongjun","Ru-catalyzed synthesis of dihydrofuroquinolines from azido-cyclopropyl ketones.","Organic letters","2013","15","6","1282","1285","10.1021/ol400223d","","","0.71073","MoKα","","0.0614","0.042","","","0.1074","0.1228","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511864","11.487","0.005","6.052","0.003","36.08","0.008","90","","96.484","0.012","90","","2492.2","1.7","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","Xie, Xiaocong; Li, Yi; Fox, Joseph M.","Selective Syntheses of Δα,βand Δβ,γButenolides from Allylic Cyclopropenecarboxylates via Tandem Ring Expansion/[3,3]-Sigmatropic Rearrangements","Organic Letters","2013","15","7","1500","","10.1021/ol400264a","","","0.71073","MoKα","","0.0928","0.0863","","","0.2671","0.2747","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511865","17.444","0.004","8.121","0.002","26.134","0.007","90","","90","","90","","3702.2","1.6","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C184 H192 O16 -","8","1","","Xie, Xiaocong; Li, Yi; Fox, Joseph M.","Selective Syntheses of Δα,βand Δβ,γButenolides from Allylic Cyclopropenecarboxylates via Tandem Ring Expansion/[3,3]-Sigmatropic Rearrangements","Organic Letters","2013","15","7","1500","","10.1021/ol400264a","","","0.71073","MoKα","","0.1059","0.0494","","","0.0882","0.1081","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511866","14.22","0.003","26.693","0.005","16.457","0.003","90","","95.884","0.003","90","","6214","2","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 -","- C44 H34 -","- C352 H272 -","8","2","","Feng, Xing; Hu, Jian-Yong; Iwanaga, Fumitaka; Seto, Nobuyuki; Redshaw, Carl; Elsegood, Mark R. J.; Yamato, Takehiko","Blue-emitting butterfly-shaped 1,3,5,9-tetraarylpyrenes: synthesis, crystal structures, and photophysical properties.","Organic letters","2013","15","6","1318","1321","10.1021/ol4002653","","","0.71073","MoKα","","0.162","0.057","","","0.1101","0.1722","","","","","","1.072","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1511867","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; Iwanaga, Fumitaka; Seto, Nobuyuki; Redshaw, Carl; Elsegood, Mark R. J.; Yamato, Takehiko","Blue-emitting butterfly-shaped 1,3,5,9-tetraarylpyrenes: synthesis, crystal structures, and photophysical properties.","Organic letters","2013","15","6","1318","1321","10.1021/ol4002653","","","0.71073","MoKα","","0.0695","0.0475","","","0.1277","0.1413","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1511868","14.076","0.003","9.7666","0.0019","26.439","0.005","90","","95.169","0.015","90","","3619.9","1.3","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Cl3 O4 -","- C45 H35 Cl3 O4 -","- C180 H140 Cl12 O16 -","4","1","","Feng, Xing; Hu, Jian-Yong; Iwanaga, Fumitaka; Seto, Nobuyuki; Redshaw, Carl; Elsegood, Mark R. J.; Yamato, Takehiko","Blue-emitting butterfly-shaped 1,3,5,9-tetraarylpyrenes: synthesis, crystal structures, and photophysical properties.","Organic letters","2013","15","6","1318","1321","10.1021/ol4002653","","","1.54187","CuKα","","","0.0578","","","","0.1852","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511869","14.7051","0.0005","12.7004","0.0004","7.9795","0.0002","90","","102.019","0.002","90","","1457.59","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O2 S -","- C15 H13 Cl N2 O2 S -","- C60 H52 Cl4 N8 O8 S4 -","4","1","","Alla, Santhosh Kumar; Kumar, Rapolu Kiran; Sadhu, Pradeep; Punniyamurthy, Tharmalingam","Iodobenzene catalyzed C-H amination of N-substituted amidines using m-chloroperbenzoic acid.","Organic letters","2013","15","6","1334","1337","10.1021/ol400274f","","","0.71073","MoKα","","0.045","0.0397","","","0.1152","0.1204","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511870","10.2325","0.0005","17.7301","0.0008","12.7057","0.0006","90","","105.974","0.001","90","","2216.1","0.18","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","Peptide","","","- C22 H31 N3 O5 -","- C22 H31 N3 O5 -","- C88 H124 N12 O20 -","4","2","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.0665","0.0591","","","0.1233","0.1266","","","","","","1.186","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511871","8.677","0.003","12.585","0.004","11.434","0.004","90","","98.801","0.009","90","","1233.9","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Peptide","","","- C21 H31 N3 O7 S -","- C21 H31 N3 O7 S -","- C42 H62 N6 O14 S2 -","2","1","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.0328","0.0305","","","0.0845","0.0867","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511872","11.3088","0.0006","15.8114","0.0008","25.101","0.001","90","","90","","90","","4488.3","0.4","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C42 H60 N6 O12 -","- C42 H57 N6 O12 -","- C168 H228 N24 O48 -","4","1","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.068","0.0617","","","0.1509","0.1555","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511873","8.7784","0.0002","15.2539","0.0003","29.9127","0.0006","90","","90","","90","","4005.46","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C36 H50 N6 O11 S2 -","- C36 H49 N6 O11 S2 -","- C144 H196 N24 O44 S8 -","4","1","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.0487","0.0428","","","0.0965","0.0997","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511874","22.5171","0.0011","13.122","0.0006","21.6558","0.001","90","","118.366","0.001","90","","5630.3","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 1-allyl-2'-(4-nitrophenyl)-2-oxo-3'-(p-tolyl)spiro[indoline-3,4' -oxazolidine]-5',5'-dicarboxylate","","- C30 H27 N3 O8 -","- C30 H27 N3 O8 -","- C240 H216 N24 O64 -","8","1","","Rajasekaran, T.; Karthik, G.; Sridhar, B.; Subba Reddy, B. V.","Dual Behavior of Isatin-Based Cyclic Ketimines with Dicarbomethoxy Carbene: Expedient Synthesis of Highly Functionalized Spirooxindolyl Oxazolidines and Pyrrolines","Organic Letters","2013","15","7","1512","","10.1021/ol400287q","","x-ray","0.71073","MoKα","","0.0818","0.0704","","","0.2073","0.2225","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511875","7.9805","0.0011","19.764","0.003","17.862","0.003","90","","99.901","0.002","90","","2775.4","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O9 -","- C32 H28 N2 O9 -","- C128 H112 N8 O36 -","4","1","","Rajasekaran, T.; Karthik, G.; Sridhar, B.; Subba Reddy, B. V.","Dual Behavior of Isatin-Based Cyclic Ketimines with Dicarbomethoxy Carbene: Expedient Synthesis of Highly Functionalized Spirooxindolyl Oxazolidines and Pyrrolines","Organic Letters","2013","15","7","1512","","10.1021/ol400287q","","","0.71073","MoKα","","0.0642","0.0408","","","0.0981","0.1141","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511876","29.183","0.003","9.2281","0.0011","20.653","0.002","90","","90","","90","","5561.9","1","193","2","193","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C38 H32 -","- C38 H32 -","- C304 H256 -","8","2","","Fix, Aaron G.; Deal, Parker E.; Vonnegut, Chris L.; Rose, Bradley D.; Zakharov, Lev N.; Haley, Michael M.","Indeno[2,1-c]fluorene: a new electron-accepting scaffold for organic electronics.","Organic letters","2013","15","6","1362","1365","10.1021/ol400318z","","","0.71073","MoKα","","0.0419","0.0372","","","0.0972","0.1021","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511877","10.1026","0.0011","12.2338","0.0013","13.8484","0.0014","102.226","0.002","100.255","0.001","94.067","0.001","1635.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 Cl N2 O9.5 -","- C35 H32 Cl N2 O9.5 -","- C70 H64 Cl2 N4 O19 -","2","1","","Jiang, Bo; Wang, Xue; Xu, Hai-Wei; Tu, Man-Su; Tu, Shu-Jiang; Li, Guigen","Highly selective domino multicyclizations for forming polycyclic fused acridines and azaheterocyclic skeletons.","Organic letters","2013","15","7","1540","1543","10.1021/ol400322v","","","0.71073","MoKα","","0.2617","0.1243","","","0.349","0.4274","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511878","16.7024","0.0015","8.0751","0.0007","19.7821","0.0017","90","","92.799","0.001","90","","2664.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 N2 O6 -","- C31 H28 N2 O6 -","- C124 H112 N8 O24 -","4","1","","Jiang, Bo; Wang, Xue; Xu, Hai-Wei; Tu, Man-Su; Tu, Shu-Jiang; Li, Guigen","Highly selective domino multicyclizations for forming polycyclic fused acridines and azaheterocyclic skeletons.","Organic letters","2013","15","7","1540","1543","10.1021/ol400322v","","","0.71073","MoKα","","0.1366","0.0546","","","0.1025","0.1191","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511879","21.024","0.004","11.026","0.002","17.458","0.004","90","","100.86","0.03","90","","3974.5","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Cl2 N2 O4 S -","- C45 H42 Cl2 N2 O4 S -","- C180 H168 Cl8 N8 O16 S4 -","4","1","","Gao, Jing; Li, Yan; Wang, Zhaohui","Synthesis and properties of naphthobisbenzothiophene diimides.","Organic letters","2013","15","6","1366","1369","10.1021/ol400324w","","","1.54178","CuKα","","0.2138","0.1545","","","0.2691","0.3059","","","","","","1.174","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511880","11.967","0.002","13.253","0.003","15.005","0.003","88.88","0.03","79.64","0.03","87.14","0.03","2337.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Cl4 N2 O4 S2 -","- C52 H46 Cl4 N2 O4 S2 -","- C104 H92 Cl8 N4 O8 S4 -","2","1","","Gao, Jing; Li, Yan; Wang, Zhaohui","Synthesis and properties of naphthobisbenzothiophene diimides.","Organic letters","2013","15","6","1366","1369","10.1021/ol400324w","","","0.71073","MoKα","","0.1614","0.1258","","","0.2641","0.2848","","","","","","1.209","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511881","9.652","0.0011","14.2244","0.0015","20.858","0.003","90","","90","","90","","2863.7","0.6","123","","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 O -","- C22 H14 O -","- C176 H112 O8 -","8","1","","Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru","Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.","Organic letters","2013","15","8","1806","1809","10.1021/ol400332j","","","0.71075","MoKα","","","0.0449","","","","0.1215","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511882","7.4251","0.0011","11.3441","0.0016","18.176","0.003","90","","91.632","0.002","90","","1530.4","0.4","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","2","","Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru","Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.","Organic letters","2013","15","8","1806","1809","10.1021/ol400332j","","","0.71073","MoKα","","0.029","0.0271","","","0.0655","0.0666","","","","","","0.911","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511883","12.06","0.003","8.342","0.002","15.779","0.004","90","","102.872","0.003","90","","1547.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","","Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru","Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.","Organic letters","2013","15","8","1806","1809","10.1021/ol400332j","","","0.71073","MoKα","","0.0345","0.0337","","","0.0941","0.0953","","","","","","0.83","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511884","12.5875","0.0008","17.8684","0.0012","6.0173","0.0004","90","","90","","90","","1353.4","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","5","P n a 21","P 2c -2n","33","","","","- C17 H14 Cl N O -","- C17 H14 Cl N O -","- C68 H56 Cl4 N4 O4 -","4","1","","Ladd, Carolyn L.; Sustac Roman, Daniela; Charette, André B.","Silver-promoted, palladium-catalyzed direct arylation of cyclopropanes: facile access to spiro 3,3'-cyclopropyl oxindoles.","Organic letters","2013","15","6","1350","1353","10.1021/ol4003338","","","1.54178","CuKα","","0.0299","0.0299","","","0.0791","0.0791","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511885","15.2477","0.0007","5.8321","0.0003","16.7963","0.0009","90","","90.669","0.003","90","","1493.53","0.13","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N O -","- C18 H14 F3 N O -","- C72 H56 F12 N4 O4 -","4","1","","Ladd, Carolyn L.; Sustac Roman, Daniela; Charette, André B.","Silver-promoted, palladium-catalyzed direct arylation of cyclopropanes: facile access to spiro 3,3'-cyclopropyl oxindoles.","Organic letters","2013","15","6","1350","1353","10.1021/ol4003338","","","1.54178","CuKα","","0.0515","0.0453","","","0.1269","0.1323","","","","","","1.112","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511886","12.1557","0.0005","11.7061","0.0003","12.5509","0.0004","90","","111.094","0.0015","90","","1666.27","0.1","103","2","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","11a,12-Dihydro-5b-methyl-5a,12a-epoxy-11H-dibenzo[b,h]fluorene-5,6,11,13(5bH)-tetrone","11a,12-Dihydro-5b-methyl-5a,12a-epoxy-11H-dibenzo[b,h]fluorene-5,6,11,13(5bH)-tetrone","","- C22 H14 O5 -","- C22 H14 O5 -","- C88 H56 O20 -","4","1","","Maruo, Sayako; Nishio, Kazuyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Biomimetic Synthesis of Zeylanone and Zeylanone Epoxide by Dimerization of 2-Methyl-1,4-naphthoquinone","Organic Letters","2013","15","7","1556","","10.1021/ol400335s","","","0.7107","MoKα","","0.0458","0.032","","","0.0792","0.0842","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511887","13.727","0.005","16.832","0.006","7.474","0.003","90","","95.94","0.02","90","","1717.6","1.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Sueda, Takuya; Kawada, Arisa; Urashi, Yumi; Teno, Naoki","Ag- and Au-Catalyzed Addition of Alcohols to Ynimides: β-Regioselective Carbonylation and Production of Oxazoles","Organic Letters","2013","15","7","1560","","10.1021/ol400338x","","","1.54187","CuKα","","","0.0436","","","","0.0486","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511888","9.5282","0.0005","21.6974","0.001","26.3399","0.0013","90","","90","","90","","5445.4","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","QY0629","Doyle/Qian QY0629","","- C27 H33 Br N2 O4 S -","- C27 H33 Br N2 O4 S -","- C216 H264 Br8 N16 O32 S8 -","8","1","","Qian, Yu; Zavalij, Peter J.; Hu, Wenhao; Doyle, Michael P.","Bicyclic Pyrazolidinone Derivatives from Diastereoselective Catalytic [3 + 3]-Cycloaddition Reactions of Enoldiazoacetates with Azomethine Imines","Organic Letters","2013","15","7","1564","","10.1021/ol400339c","","","0.71073","MoKα","","0.0548","0.0378","","","0.0801","0.0843","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511889","6.49546","0.00006","11.74349","0.00013","21.65156","0.00019","90","","90","","90","","1651.57","0.03","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Yin, Hong; Luo, Jian-Guang; Shan, Si-Ming; Wang, Xiao-Bing; Luo, Jun; Yang, Ming-Hua; Kong, Ling-Yi","Amomaxins A and B, Two Unprecedented Rearranged Labdane Norditerpenoids with a Nine-Membered Ring fromAmomum maximum","Organic Letters","2013","15","7","1572","","10.1021/ol400348a","","","1.54184","CuKα","","0.0316","0.0303","","","0.0804","0.0819","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511890","6.945","0.003","17.2536","0.0005","20.6291","0.001","90","","90","","90","","2471.9","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C108 H104 N8 O24 S4 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Goodman, Jonathan M.; Cobb, Alexander J. A.","Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers.","Organic letters","2013","15","6","1386","1389","10.1021/ol400356k","","","1.5418","CuKα","","0.041","0.0347","","","0.0814","0.085","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511891","7.5203","0.0001","11.5007","0.0001","13.5727","0.0001","90","","100.496","0.001","90","","1154.24","0.02","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 S -","- C24 H26 N2 O6 S -","- C48 H52 N4 O12 S2 -","2","1","","Rajkumar, Sundaram; Shankland, Kenneth; Goodman, Jonathan M.; Cobb, Alexander J. A.","Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers.","Organic letters","2013","15","6","1386","1389","10.1021/ol400356k","","","1.54184","CuKα","","0.0243","0.0239","","","0.0644","0.0649","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511892","9.0124","0.0009","20.098","0.002","17.2357","0.0017","90","","95.571","0.003","90","","3107.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Au Cl O2 P -","- C31 H49 Au Cl O2 P -","- C124 H196 Au4 Cl4 O8 P4 -","4","1","","Obradors, Carla; Leboeuf, David; Aydin, Juhanes; Echavarren, Antonio M.","Gold(I)-Catalyzed Macrocyclization of 1,n-Enynes","Organic Letters","2013","15","7","1576","","10.1021/ol400358f","","","0.71073","MoKα","","0.0294","0.0232","","","0.0539","0.0563","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511893","12.376","0.0009","16.1339","0.0012","16.0235","0.0012","90","","94.179","0.002","90","","3191","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 Au Cl P -","- C33 H53 Au Cl P -","- C132 H212 Au4 Cl4 P4 -","4","1","","Obradors, Carla; Leboeuf, David; Aydin, Juhanes; Echavarren, Antonio M.","Gold(I)-Catalyzed Macrocyclization of 1,n-Enynes","Organic Letters","2013","15","7","1576","","10.1021/ol400358f","","","0.71073","MoKα","","0.0313","0.0228","","","0.0555","0.0594","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511894","11.8987","0.0003","6.0503","0.0002","21.0067","0.0005","90","","104.945","0.001","90","","1461.13","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Obradors, Carla; Leboeuf, David; Aydin, Juhanes; Echavarren, Antonio M.","Gold(I)-Catalyzed Macrocyclization of 1,n-Enynes","Organic Letters","2013","15","7","1576","","10.1021/ol400358f","","","0.71073","MoKα","","0.0521","0.044","","","0.1165","0.1235","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511895","9.7707","0.0001","12.1601","0.0002","14.4735","0.0002","90","","90","","90","","1719.64","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","1.54178","CuKα","","0.0263","0.0258","","","0.0665","0.067","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511896","6.4751","0.0003","19.7106","0.0008","6.7241","0.0003","90","","96.744","0.002","90","","852.25","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","1.54178","CuKα","","0.0355","0.0351","","","0.089","0.0896","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511897","11.2375","0.0003","6.1253","0.0001","11.8492","0.0003","90","","95.395","0.001","90","","812","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","2","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","1.54178","CuKα","","0.0224","0.0224","","","0.0573","0.0574","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511898","6.4936","0.0003","15.2903","0.0007","9.7857","0.0005","90","","99.641","0.002","90","","957.89","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","0.71073","MoKα","","0.0374","0.035","","","0.0907","0.0922","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511899","7.9353","0.0002","17.7258","0.0004","15.3911","0.0011","90","","98.985","0.007","90","","2138.34","0.17","200","0.2","200","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","1","","Ramachandran, P. Veeraraghavan; Nicponski, Daniel; Kim, Bomi","Total regio- and diastereocontrol in the aldol reactions of dienolborinates.","Organic letters","2013","15","6","1398","1401","10.1021/ol400381q","","","1.54184","CU-Kα","","0.043","0.037","","","0.096","0.104","","","","","","1.064","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1511900","5.7391","0.0003","11.1115","0.0006","18.7773","0.001","79.448","0.003","83.65","0.002","87.656","0.002","1169.7","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 O4 P -","- C28 H25 O4 P -","- C56 H50 O8 P2 -","2","1","","You, Wei; Li, Yan; Brown, M. Kevin","Stereoselective Synthesis of All-Carbon Tetrasubstituted Alkenes from In Situ Generated Ketenes and Organometallic Reagents","Organic Letters","2013","15","7","1610","","10.1021/ol400392r","","","0.71073","MoKα","","0.0667","0.0549","","","0.1393","0.1485","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511901","10.756","0.002","9.1384","0.0016","13.732","0.003","90","","90.326","0.005","90","","1349.7","0.5","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N O4 S -","- C30 H31 N O4 S -","- C60 H62 N2 O8 S2 -","2","1","","Kamimura, Akio; So, Masahiro; Ishikawa, Shingo; Uno, Hidemitsu","Pd-catalyzed tandem sp2-sp3 coupling reactions of chiral stannolanes: an efficient preparation of optically active tetrahydrobenz[f]isoindoles.","Organic letters","2013","15","6","1402","1405","10.1021/ol4003948","","","0.71075","MoKα","","","0.0438","","","","0.1324","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511902","7.062","0.003","9.027","0.004","13.891","0.007","90","","101.281","0.006","90","","868.4","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Kamimura, Akio; So, Masahiro; Ishikawa, Shingo; Uno, Hidemitsu","Pd-catalyzed tandem sp2-sp3 coupling reactions of chiral stannolanes: an efficient preparation of optically active tetrahydrobenz[f]isoindoles.","Organic letters","2013","15","6","1402","1405","10.1021/ol4003948","","","0.71075","MoKα","","0.0367","0.032","","","0.0691","0.0711","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511903","11.5332","0.0007","14.9254","0.001","17.4658","0.0013","90","","125.386","0.005","90","","2451.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl2 N3 O6 S3 -","- C21 H19 Cl2 N3 O6 S3 -","- C84 H76 Cl8 N12 O24 S12 -","4","1","","Yadav, M. Ramu; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine Directed Intermolecular o-C-H Amidation of Arenes with Sulfonyl Azides.","Organic letters","2013","15","7","1638","1641","10.1021/ol400411v","","","0.71073","MoKα","","0.1594","0.0722","","","0.1502","0.1924","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511904","8.1107","0.0012","9.1475","0.0016","11.4039","0.0019","106.487","0.005","103.627","0.004","104.156","0.004","743.1","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl2 O5 S -","- C12 H14 Cl2 O5 S -","- C24 H28 Cl4 O10 S2 -","2","1","","Kim, Seong-Hwan; Kwon, So Hee; Park, Seon-Hui; Lee, Jae Kyun; Bang, Hea-Son; Nam, Sang-Jip; Kwon, Hak Cheol; Shin, Jongheon; Oh, Dong-Chan","Tripartin, a Histone Demethylase Inhibitor from a Bacterium Associated with a Dung Beetle Larva.","Organic letters","2013","15","8","1834","1837","10.1021/ol4004417","","","0.71075","MoKα","","","0.0449","","","","0.1264","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511905","10.3266","0.0003","21.7894","0.0006","16.1875","0.0005","90","","105.788","0.001","90","","3504.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H3 B F20 S6 -","- C37 H3 B F20 S6 -","- C148 H12 B4 F80 S24 -","4","1","","Bag, Pradip; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Hexathiophenalenyliums cations: syntheses, structures, and redox chemistry.","Organic letters","2013","15","6","1198","1201","10.1021/ol400452f","","","0.71073","MoKα","","0.0303","0.0282","","","0.0795","0.081","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511906","13.145","0.0013","23.279","0.002","13.4019","0.0014","90","","113.447","0.002","90","","3762.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 B Cl4 N O2 S6 -","- C39 H26 B Cl4 N O2 S6 -","- C156 H104 B4 Cl16 N4 O8 S24 -","4","1","","Bag, Pradip; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Hexathiophenalenyliums cations: syntheses, structures, and redox chemistry.","Organic letters","2013","15","6","1198","1201","10.1021/ol400452f","","","0.71073","MoKα","","0.1288","0.0766","","","0.1968","0.23","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511907","8.334","0.002","17.631","0.004","13.162","0.003","90","","98.01","0.004","90","","1915.1","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","rac (2S,3R)-methyl 3-(N-allyl-4-methylphenylsulfonamido) -2-bromo-3-ethoxypropanoate","","- C16 H22 Br N O5 S -","- C16 H22 Br N O5 S -","- C64 H88 Br4 N4 O20 S4 -","4","1","","Nocquet-Thibault, Sophie; Retailleau, Pascal; Cariou, Kevin; Dodd, Robert H.","Iodine(III)-Mediated Umpolung of Bromide Salts for the Ethoxybromination of Enamides.","Organic letters","2013","15","8","1842","1845","10.1021/ol400453b","","","0.7107","MoKα","","0.0996","0.0855","","","0.2191","0.2372","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511908","24.175","0.005","15.224","0.003","12.249","0.002","90","","103.389","0.004","90","","4385.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","rac (2R,3R) 2-bromo-1-ethoxy-2-phenylethyl)-4-methyl-N-phenylbenzenesulfonamide","","- C23 H24 Br N O3 S -","- C23 H24 Br N O3 S -","- C184 H192 Br8 N8 O24 S8 -","8","2","","Nocquet-Thibault, Sophie; Retailleau, Pascal; Cariou, Kevin; Dodd, Robert H.","Iodine(III)-Mediated Umpolung of Bromide Salts for the Ethoxybromination of Enamides.","Organic letters","2013","15","8","1842","1845","10.1021/ol400453b","","","0.7107","MoKα","","0.1471","0.107","","","0.3274","0.3654","","","","","","1.47","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511909","9.2928","0.001","10.4817","0.0011","11.6022","0.0013","75.347","0.002","66.757","0.002","89.136","0.002","1000.04","0.19","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 Br N4 O3 -","- C20 H19 Br N4 O3 -","- C40 H38 Br2 N8 O6 -","2","2","","Chen, Xianjie; Chen, Hui; Ji, Xun; Jiang, Hualiang; Yao, Zhu-Jun; Liu, Hong","Asymmetric One-Pot Sequential Mannich/Hydroamination Reaction by Organo- and Gold Catalysts: Synthesis of Spiro[pyrrolidin-3,2'-oxindole] Derivatives.","Organic letters","2013","15","8","1846","1849","10.1021/ol4004542","","","0.71073","MoKα","","0.0346","0.031","","","0.0709","0.0726","","","","","","0.937","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511910","7.199","0.003","14.568","0.005","20.83","0.008","90","","90","","90","","2184.5","1.4","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Si -","- C30 H22 Si -","- C120 H88 Si4 -","4","1","","Oyama, Hiromi; Nakano, Koji; Harada, Takunori; Kuroda, Reiko; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Facile Synthetic Route to Highly Luminescent Sila[7]helicene","Organic Letters","2013","15","9","2104","","10.1021/ol4005036","","","1.54187","CuKα","","0.1318","0.0998","","","0.2328","0.2671","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511911","9.474","0.0018","10.2346","0.0019","12.862","0.002","67.948","0.003","89.908","0.003","88.178","0.003","1155.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O6 S -","- C23 H25 N O6 S -","- C46 H50 N2 O12 S2 -","2","1","","Tombe, Rihoko; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed cycloaddition of vinylcyclopropanes to imines.","Organic letters","2013","15","8","1791","1793","10.1021/ol4005068","","","0.71073","MoKα","","0.0775","0.0726","","","0.2468","0.2506","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511912","9.8884","0.001","9.9615","0.001","11.2817","0.001","86.326","0.003","68.916","0.003","65.816","0.003","941.35","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","? Ansa Naphthaldehyde","tert-butyl 5-formyl-1,4,6-trimethoxy-7-methylnaphthalen-2-ylcarbamate ?","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Rasapalli, Sivappa; Jarugumilli, Gopalakrishna; Yarrapothu, Gangadhara Rao; Golen, James A.; Rheingold, Arnold L.","Studies toward Total Synthesis of Divergolides C and D","Organic Letters","2013","15","7","1736","","10.1021/ol400528g","","","0.71073","MoKα","","0.0679","0.0452","","","0.107","0.1199","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511913","17.5619","0.0009","12.6304","0.0007","9.8128","0.0005","90","","90.571","0.001","90","","2176.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O3 S Si -","- C21 H27 N O3 S Si -","- C84 H108 N4 O12 S4 Si4 -","4","1","","Shen, Kun; Han, Xiuling; Lu, Xiyan","Cationic Pd(II)-Catalyzed Reductive Cyclization of Alkyne-Tethered Ketones or Aldehydes Using Ethanol as Hydrogen Source","Organic Letters","2013","15","7","1732","","10.1021/ol400531a","","","0.71073","MoKα","","0.047","0.0425","","","0.1195","0.1244","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511914","8.6136","0.0004","8.6555","0.0004","17.198","0.0008","100.351","0.003","95.827","0.003","102.234","0.003","1219.62","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 F6 O10 Pd S6 -","- C10 H24 F6 O10 Pd S6 -","- C20 H48 F12 O20 Pd2 S12 -","2","1","","Walker, Sarah E.; Boehnke, Julian; Glen, Pauline E.; Levey, Steven; Patrick, Lisa; Jordan-Hore, James A; Lee, Ai-Lan","Ligand- and Base-Free Pd(II)-Catalyzed Controlled Switching between Oxidative Heck and Conjugate Addition Reactions.","Organic letters","2013","15","8","1886","1889","10.1021/ol400539h","","","0.71073","MoKα","","0.0459","0.0327","","","0.0576","0.0635","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511915","6.484","0.0013","9.9421","0.0019","9.963","0.002","85.839","0.013","72.127","0.012","80.358","0.012","602.5","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C28 H40 N4 O2 -","2","1","","Gan, Wei; Moon, Patrick J.; Clavette, Christian; Das Neves, Nicolas; Markiewicz, Thomas; Toderian, Amy B.; Beauchemin, André M","Synthesis and reactivity of unsymmetrical azomethine imines formed using alkene aminocarbonylation.","Organic letters","2013","15","8","1890","1893","10.1021/ol400542b","","","0.71073","MoKα","","0.1089","0.0515","","","0.1604","0.215","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511916","9.355","0.003","10.436","0.003","12.314","0.004","90","","102.117","0.017","90","","1175.4","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Gan, Wei; Moon, Patrick J.; Clavette, Christian; Das Neves, Nicolas; Markiewicz, Thomas; Toderian, Amy B.; Beauchemin, André M","Synthesis and reactivity of unsymmetrical azomethine imines formed using alkene aminocarbonylation.","Organic letters","2013","15","8","1890","1893","10.1021/ol400542b","","","0.71073","MoKα","","0.0519","0.0405","","","0.1052","0.1148","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511917","13.2073","0.0018","19.249","0.003","21.407","0.003","90","","98.997","0.002","90","","5375.3","1.3","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H62 Cl2 O18 -","- C58 H62 Cl2 O18 -","- C232 H248 Cl8 O72 -","4","1","","Suzuki, Takahiro; Miyajima, Yuria; Suzuki, Kaname; Iwakiri, Kanako; Koshimizu, Masaki; Hirai, Go; Sodeoka, Mikiko; Kobayashi, Susumu","Unexpected Diels-Alder/Carbonyl-ene Cascade toward the Biomimetic Synthesis of Chloropupukeananin.","Organic letters","2013","15","7","1748","1751","10.1021/ol400549q","","","0.71073","MoKα","","0.144","0.0629","","","0.0692","0.0804","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511918","17.187","0.002","7.3498","0.0009","23.976","0.003","90","","101.984","0.002","90","","2962.7","0.6","173","1","173","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H11 Cl O7 -","- C16 H11 Cl O7 -","- C128 H88 Cl8 O56 -","8","2","","Suzuki, Takahiro; Miyajima, Yuria; Suzuki, Kaname; Iwakiri, Kanako; Koshimizu, Masaki; Hirai, Go; Sodeoka, Mikiko; Kobayashi, Susumu","Unexpected Diels-Alder/Carbonyl-ene Cascade toward the Biomimetic Synthesis of Chloropupukeananin.","Organic letters","2013","15","7","1748","1751","10.1021/ol400549q","","","0.71073","MoKα","","0.0315","0.0279","","","0.0634","0.0656","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511919","6.9099","0.0006","18.7473","0.0016","11.4333","0.001","90","","98.401","0.002","90","","1465.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","hydrindane","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","Handore, Kishor L.; Reddy, D. Srinivasa","A diverted total syntheses of potent cell adhesion inhibitor peribysin e analogues.","Organic letters","2013","15","8","1894","1897","10.1021/ol400555m","","","0.71073","MoKα","","0.0563","0.0464","","","0.1203","0.1297","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511920","12.9452","0.0006","8.9427","0.0004","31.393","0.002","90","","101.747","0.0008","90","","3558.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Coumarin","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","2","","Bhunia, Anup; Patra, Atanu; Puranik, Vedavati G.; Biju, Akkattu T.","NHC-Catalyzed Reaction of Enals with Hydroxy Chalcones: Diastereoselective Synthesis of Functionalized Coumarins.","Organic letters","2013","15","7","1756","1759","10.1021/ol400562z","","","0.71073","MoKα","","0.0762","0.0567","","","0.1164","0.1245","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511921","9.4896","0.0015","9.4513","0.0014","10.805","0.0016","90","","108.172","0.003","90","","920.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 F3 N2 O3 S -","- C19 H19 F3 N2 O3 S -","- C38 H38 F6 N4 O6 S2 -","2","0.5","","Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan","Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides.","Organic letters","2013","15","8","1922","1925","10.1021/ol400571j","","","0.71073","MoKα","","0.0415","0.0375","","","0.0947","0.0975","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511922","23.483","0.0008","6.302","0.0002","13.176","0.0006","90","","105.776","0.0014","90","","1876.47","0.12","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19 H19 F3 N2 O4 S -","- C19 H19 F3 N2 O4 S -","- C76 H76 F12 N8 O16 S4 -","4","1","","Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan","Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides.","Organic letters","2013","15","8","1922","1925","10.1021/ol400571j","","","0.71073","MoKα","","0.0836","0.0616","","","0.1551","0.1844","","","","","","1.127","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1511923","10.6078","0.001","11.7116","0.0011","13.0714","0.0013","103.006","0.002","107.583","0.002","105.221","0.002","1409.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 O7 -","- C33 H30 O7 -","- C66 H60 O14 -","2","1","","Wang, Sunewang Rixin; Radosevich, Alexander T.","Reductive Homocondensation of Benzylidene- and Alkylidenepyruvate Esters by a P(NMe2)3-Mediated Tandem Reaction.","Organic letters","2013","15","8","1926","1929","10.1021/ol400576e","","","0.71073","MoKα","","0.0906","0.0581","","","0.1268","0.1428","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511924","10.046","0.004","12.149","0.005","22.277","0.01","77.506","0.01","77.945","0.007","89.988","0.007","2593.1","1.9","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","2","","Wang, Sunewang Rixin; Radosevich, Alexander T.","Reductive Homocondensation of Benzylidene- and Alkylidenepyruvate Esters by a P(NMe2)3-Mediated Tandem Reaction.","Organic letters","2013","15","8","1926","1929","10.1021/ol400576e","","","0.71073","MoKα","","0.1426","0.0712","","","0.2002","0.2463","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511925","9.402","0.0002","8.096","0.0002","10.9386","0.0002","90","","108.285","0.0013","90","","790.59","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C34 H52 O6 -","2","1","","Schwartz, Brett D.; Matoušová, Eliška; White, Richard; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the protoilludane aryl ester (+)-armillarivin.","Organic letters","2013","15","8","1934","1937","10.1021/ol400583c","","","0.71073","MoKα","","0.0396","0.0343","","0.0947","0.093","0.0947","","","","","","0.9428","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511926","8.1747","0.0002","13.5827","0.0004","18.6882","0.0006","90","","90","","90","","2075.03","0.1","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","","Schwartz, Brett D.; Matoušová, Eliška; White, Richard; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the protoilludane aryl ester (+)-armillarivin.","Organic letters","2013","15","8","1934","1937","10.1021/ol400583c","","","0.71073","MoKα","","0.0489","0.0403","","0.1024","0.0984","0.1024","","","","","","1.0115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511927","11.2092","0.001","44.486","0.004","10.0656","0.0008","90","","102.053","0.005","90","","4908.6","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H17 Br4 Cl N2 -","- C24.5 H17 Br4 Cl N2 -","- C196 H136 Br32 Cl8 N16 -","8","2","","Zhu, Yingguang; Shi, Yian","Facile Cu(I)-Catalyzed Oxidative Coupling of Anilines to Azo Compounds and Hydrazines with Diaziridinone under Mild Conditions.","Organic letters","2013","15","8","1942","1945","10.1021/ol4005917","","","0.71073","MoKα","","0.0961","0.0503","","","0.0761","0.0863","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511928","10.5602","0.0005","10.4546","0.0004","37.7085","0.0015","90","","95.612","0.002","90","","4143.2","0.3","173","2","173","2","","","101.3","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H46 N2 O15 -","- C41 H46 N2 O15 -","- C164 H184 N8 O60 -","4","2","","Masubuti, Hironori; Endo, Yasuhisa; Araya, Hiroshi; Uekusa, Hidehiro; Fujimoto, Yoshinori","Establishment of Benzodioxazine Core Structure for Sarcodonin Class of Natural Products by X-ray Analysis","Organic Letters","2013","15","9","2076","","10.1021/ol400595k","","x-ray","1.54186","CuKα","","0.1734","0.0765","","","0.166","0.2199","","","","","","0.975","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511929","12.5133","0.0011","8.5931","0.0008","17.3356","0.0015","90","","107.854","0.002","90","","1774.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 B F2 N3 -","- C24 H14 B F2 N3 -","- C96 H56 B4 F8 N12 -","4","1","","Li, Weiling; Lin, Weiying; Wang, Jiaoliang; Guan, Xiaoyu","Phenanthro[9,10-d]imidazole-quinoline Boron Difluoride Dyes with Solid-State Red Fluorescence.","Organic letters","2013","15","7","1768","1771","10.1021/ol400605x","","","0.71073","MoKα","","0.0655","0.0423","","","0.1019","0.1132","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511930","13.009","0.004","14.636","0.005","22.764","0.007","78.187","0.009","75.189","0.007","79.83","0.007","4066","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H26 B2 N6 O3 -","- C48 H26 B2 N6 O3 -","- C192 H104 B8 N24 O12 -","4","2","","Li, Weiling; Lin, Weiying; Wang, Jiaoliang; Guan, Xiaoyu","Phenanthro[9,10-d]imidazole-quinoline Boron Difluoride Dyes with Solid-State Red Fluorescence.","Organic letters","2013","15","7","1768","1771","10.1021/ol400605x","","","0.71073","MoKα","","0.2637","0.0923","","","0.1931","0.2354","","","","","","0.756","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511931","16.283","0.008","10.98","0.006","19.477","0.01","90","","90","","90","","3482","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N5 -","- C22 H15 N5 -","- C176 H120 N40 -","8","1","","Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun","Isocyanide-based multicomponent reactions: catalyst-free stereoselective construction of polycyclic spiroindolines.","Organic letters","2013","15","8","1954","1957","10.1021/ol400606c","","","0.7107","MoKα","","0.1567","0.1081","","","0.2684","0.3309","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511932","7.7284","0.0001","13.4661","0.0003","20.7179","0.0014","90","","90","","90","","2156.14","0.16","298","2","298","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","","Cheng, Tao; Meng, Sixuan; Huang, Yong","A Highly Diastereoselective and Enantioselective Synthesis of Polysubstituted Pyrrolidines via an Organocatalytic Dynamic Kinetic Resolution Cascade.","Organic letters","2013","15","8","1958","1961","10.1021/ol4006129","","","1.54187","CuKα","","0.0385","0.0335","","","0.0835","0.0888","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511933","8.7086","0.0004","10.3343","0.0005","10.3919","0.0005","90","","113.168","0.002","90","","859.82","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 Br O -","- C21 H21 Br O -","- C42 H42 Br2 O2 -","2","1","","Newcomb, Eric T.; Ferreira, Eric M.","Highly enantiospecific platinum-catalyzed cycloisomerizations: synthesis of enantioenriched oxabicycloheptene derivatives.","Organic letters","2013","15","7","1772","1775","10.1021/ol400625f","","","0.71073","MoKα","","0.0306","0.0281","","","0.0692","0.07","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511934","8.7377","0.0005","8.896","0.0005","10.4794","0.0006","71.552","0.002","73.334","0.002","69.603","0.002","709.85","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C38 H28 O6 -","2","1","","Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A","Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers.","Organic letters","2013","15","8","1962","1965","10.1021/ol400631b","","","1.54178","CuKα","","0.0376","0.0368","","","0.0924","0.0931","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511935","7.3625","0.0004","14.6288","0.0009","15.1302","0.0009","90","","102.119","0.004","90","","1593.27","0.16","114","2","114","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A","Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers.","Organic letters","2013","15","8","1962","1965","10.1021/ol400631b","","","1.54178","CuKα","","0.0321","0.0292","","","0.0732","0.0754","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511936","11.8949","0.0007","8.9065","0.0005","28.0405","0.0016","90","","90","","90","","2970.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C152 H112 O32 -","8","1","","Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A","Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers.","Organic letters","2013","15","8","1962","1965","10.1021/ol400631b","","","1.54178","CuKα","","0.0384","0.0379","","","0.0897","0.0902","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511937","16.3661","0.0006","6.7959","0.0002","33.9544","0.0012","90","","90","","90","","3776.5","0.2","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Cl F3 N3 O -","- C7 H7 Cl F3 N3 O -","- C112 H112 Cl16 F48 N48 O16 -","16","2","","Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan","Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines","Organic Letters","2013","15","9","2156","","10.1021/ol4006695","","","1.54178","CuKα","","0.0368","0.03","","","0.0723","0.076","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511938","9.531","0.002","8.997","0.002","11.626","0.003","90","","109.605","0.01","90","","939.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Cl F3 N4 -","- C7 H4 Cl F3 N4 -","- C28 H16 Cl4 F12 N16 -","4","1","","Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan","Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines","Organic Letters","2013","15","9","2156","","10.1021/ol4006695","","","0.71073","MoKα","","0.0597","0.0377","","","0.1014","0.1138","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511939","10.9565","0.001","5.7167","0.0006","16.595","0.0015","90","","108.605","0.003","90","","985.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H Cl2 N3 -","- C5 H Cl2 N3 -","- C30 H6 Cl12 N18 -","6","1.5","","Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan","Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines","Organic Letters","2013","15","9","2156","","10.1021/ol4006695","","","0.71073","MoKα","","0.0585","0.039","","","0.0801","0.0875","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511940","12.492","0.001","12.566","0.001","11.401","0.001","90","","90","","90","","1789.7","0.3","123.2","","123.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H21 Cl N2 O2 -","- C20 H21 Cl N2 O2 -","- C80 H84 Cl4 N8 O8 -","4","1","","Soeta, Takahiro; Tabatake, Yuhta; Fujinami, Shuhei; Ukaji, Yutaka","N-Heterocyclic Carbene Catalyzed Oxidative Coupling of Aldehydes with Carbodiimides under Aerobic Conditions: Efficient Synthesis ofN-Acylureas","Organic Letters","2013","15","9","2088","","10.1021/ol400672c","","","0.7107","MoKα","","","0.0253","","","","0.0317","","","","","","1.179","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511941","10.799","0.0002","17.2424","0.0003","13.5434","0.0002","90","","104.44","0.001","90","","2442.13","0.07","150","","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H31 Cl3 O12 -","- C64 H31 Cl3 O12 -","- C128 H62 Cl6 O24 -","2","1","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","1.54178","CuKα","","0.056","0.048","","","0.1218","0.1271","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511942","14.714","0.003","22.636","0.004","9.8621","0.0018","90","","90","","90","","3284.7","1.1","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C45 H27 O8 -","- C45 H27 O8 -","- C180 H108 O32 -","4","1","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","0.71073","MoKα","","0.0371","0.0331","","","0.0843","0.0873","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511943","22.459","0.003","22.459","0.003","25.656","0.005","90","","90","","90","","12941","4","100","","100","","","","","","","","","3","I -4","I -4","82","","","","- C207 H78 O12 -","- C207 H70 O12 -","- C828 H280 O48 -","4","0.5","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","0.75","synchrotron","","0.0784","0.0776","","","0.215","0.2179","","","","","","1.254","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511944","23.187","0.003","23.187","0.003","26.056","0.005","90","","90","","90","","14009","4","100","","100","","","","","","","","","3","P -4","P -4","81","","","","- C213 H24 O12 -","- C213 H24 O12 -","- C852 H96 O48 -","4","1","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","0.75","synchrotron","","0.2171","0.2016","","","0.4817","0.5027","","","","","","2.23","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511945","11.1536","0.0009","7.27","0.0006","16.7473","0.0014","90","","101.08","0.003","90","","1332.67","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Gogoi, Anupal; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K.","A Copper-Catalyzed Synthesis of 3-Aroylindoles via a sp(3) C-H Bond Activation Followed by C-C and C-O Bond Formation.","Organic letters","2013","15","8","1802","1805","10.1021/ol400692b","","","0.71073","MoKα","","0.0872","0.0493","","","0.1117","0.1201","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511946","10.8673","0.0011","8.4827","0.0007","13.5712","0.0013","90","","108.588","0.001","90","","1185.79","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O4 -","- C27 H33 N3 O4 -","- C54 H66 N6 O8 -","2","1","","Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis","Organic Letters","2013","15","9","2168","","10.1021/ol400694h","","","0.71073","MoKα","","0.076","0.053","","","0.1325","0.1571","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511947","9.1499","0.0008","14.4705","0.0013","18.7607","0.0017","90","","90","","90","","2484","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C108 H132 N12 O20 -","4","1","","Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis","Organic Letters","2013","15","9","2168","","10.1021/ol400694h","","","0.71073","MoKα","","0.0614","0.037","","","0.0656","0.0708","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511948","9.962","","18.792","","25.713","","108.23","","94.9","","91.61","","4547.66","","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","C60(CH2SiMe2Hex)2(PhCCCO2Et)","","- C151.5 H52 O2 S5 Si2 -","- C152.5 H52 O2 S5 Si2 -","- C305 H104 O4 S10 Si4 -","2","1","","Xiao, Zuo; Matsuo, Yutaka; Maruyama, Masashi; Nakamura, Eiichi","Regioselective [2 + 2] Cycloaddition of a Fullerene Dimer with an Alkyne Triggered by Thermolysis of an Interfullerene C‒C Bond","Organic Letters","2013","15","9","2176","","10.1021/ol400713t","","","0.71073","MoKα","","0.1829","0.0999","","","","0.3182","","","","","","0.977","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1511949","9.975","0.003","11.588","0.004","11.86","0.004","63.519","0.006","87.965","0.007","70.57","0.006","1146.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C48 H72 O10 -","2","1","","Deng, Jun; Li, Ruofan; Luo, Yijie; Li, Jian; Zhou, Shupeng; Li, Yongjian; Hu, Jingyu; Li, Ang","Divergent total synthesis of taiwaniaquinones a and f and taiwaniaquinols B and d.","Organic letters","2013","15","8","2022","2025","10.1021/ol400717h","","","0.71073","MoKα","","0.1014","0.0563","","","0.1463","0.1699","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511950","14.81","0.005","14.81","0.005","21.949","0.008","90","","90","","120","","4169","3","100","2","100","2","","","","","","","chemical synthesis","4","P 3 2 1","P 3 2""","150","in,in-bis(triarylphosphine)","","","- C39 H30 P2 S3 -","- C39 H30 P2 S3 -","- C156 H120 P8 S12 -","4","0.666667","","Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A.","A Congestedin,in-Diphosphine","Organic Letters","2013","15","9","2179","","10.1021/ol400728m","","","0.71073","MoKα","","0.0683","0.0603","","","0.1726","0.1779","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511951","13.157","0.002","19.846","0.004","16.443","0.003","90","","94.875","0.003","90","","4278","1.3","100","2","100","2","","","","","","","chemical synthesis","6","P 1 21/n 1","-P 2yn","14","in,in-bis(triarylphosphine) hydrochloride","","","- C41 H35 Cl7 O P2 S3 -","- C41 H35 Cl7 O P2 S3 -","- C164 H140 Cl28 O4 P8 S12 -","4","1","","Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A.","A Congestedin,in-Diphosphine","Organic Letters","2013","15","9","2179","","10.1021/ol400728m","","","0.71073","MoKα","","0.0412","0.0344","","","0.085","0.09","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511952","17.7602","0.0007","10.5542","0.0004","21.7285","0.0008","90","","90","","90","","4072.9","0.3","100","2","100","2","","","","","","","chemical synthesis","5","P n a 21","P 2c -2n","33","in,in-bis(triarylphosphine) hexaoxide","","","- C42 H39 O7.5 P2 S4.5 -","- C42 H39 O7.5 P2 S4.5 -","- C168 H156 O30 P8 S18 -","4","1","","Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A.","A Congestedin,in-Diphosphine","Organic Letters","2013","15","9","2179","","10.1021/ol400728m","","","1.54178","CuKα","","0.1015","0.0843","","","0.2269","0.2412","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511953","6.364","0.0002","37.836","0.001","11.2212","0.0005","90","","102.122","0.002","90","","2641.69","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-(benzhydryloxy)pentan-2-yl)-1-tosylpiperidine","","- C30 H37 N O3 S -","- C30 H37 N O3 S -","- C120 H148 N4 O12 S4 -","4","1","","Payne, Philippa R.; Garcia, Pierre; Eisenberger, Patrick; Yim, Jacky C.-H.; Schafer, Laurel L.","Tantalum Catalyzed Hydroaminoalkylation for the Synthesis of α- and β-SubstitutedN-Heterocycles","Organic Letters","2013","15","9","2182","","10.1021/ol400729v","","x-ray","0.71073","MoKα","","0.0607","0.043","","","0.097","0.1051","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511954","11.918","0.001","12.068","0.001","15.455","0.001","98.412","0.001","108.485","0.002","108.125","0.001","1928.2","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H49 N6 Ta -","- C48 H49 N6 Ta -","- C96 H98 N12 Ta2 -","2","1","","Payne, Philippa R.; Garcia, Pierre; Eisenberger, Patrick; Yim, Jacky C.-H.; Schafer, Laurel L.","Tantalum Catalyzed Hydroaminoalkylation for the Synthesis of α- and β-SubstitutedN-Heterocycles","Organic Letters","2013","15","9","2182","","10.1021/ol400729v","","x-ray","0.71073","MoKα","","0.0189","0.017","","","0.0416","0.0429","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511955","12.8417","0.0004","6.6522","0.0001","14.8628","0.0005","90","","109.357","0.004","90","","1197.89","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N O3 -","- C28 H33 N O3 -","- C56 H66 N2 O6 -","2","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach.","Organic letters","2013","15","8","2042","2045","10.1021/ol400735z","","","1.5418","CuKα","","0.0469","0.0376","","0.1101","0.0861","0.1101","","","","","","0.938","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511956","11.1676","0.0004","8.2551","0.0003","12.4524","0.0005","90","","90.8174","0.0016","90","","1147.87","0.07","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl3 N O4 -","- C21 H26 Cl3 N O4 -","- C42 H52 Cl6 N2 O8 -","2","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach.","Organic letters","2013","15","8","2042","2045","10.1021/ol400735z","","","0.71073","MoKα","","0.1118","0.0604","","0.0998","0.0697","0.0622","","","","","","1.0257","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511957","10.3223","0.0003","6.9861","0.0002","12.9927","0.0003","90","","101.708","0.003","90","","917.44","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach.","Organic letters","2013","15","8","2042","2045","10.1021/ol400735z","","","1.5418","CuKα","","0.0326","0.0308","","0.064","0.0624","0.064","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511958","7.8204","0.0014","14.892","0.003","23.179","0.004","90","","90","","90","","2699.5","0.9","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 B F4 N2 -","- C13 H17 B F4 N2 -","- C104 H136 B8 F32 N16 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S.","Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group","Organic Letters","2013","15","9","2194","","10.1021/ol400746u","","","0.71073","MoKα","","0.1081","0.0578","","","0.1173","0.14","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511959","7.4246","0.0004","15.5642","0.001","21.89","0.0014","90","","90","","90","","2529.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Br N2 -","- C13 H17 Br N2 -","- C104 H136 Br8 N16 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S.","Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group","Organic Letters","2013","15","9","2194","","10.1021/ol400746u","","","0.71073","MoKα","","0.0641","0.0374","","","0.0846","0.0977","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511960","9.681","0.0002","12.7183","0.0002","19.2223","0.0004","90","","90","","90","","2366.76","0.08","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Br N2 O5 -","- C25 H27 Br N2 O5 -","- C100 H108 Br4 N8 O20 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Lorkin, Thomas J. A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of (-)-martinellic Acid.","Organic letters","2013","15","8","2050","2053","10.1021/ol4007508","","","0.71073","MoKα","","0.0468","0.0339","","0.0763","0.066","0.0763","","","","","","0.9336","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511961","6.8274","0.0001","11.2253","0.0002","27.9028","0.0005","90","","90","","90","","2138.46","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O4 -","- C23 H25 Br N2 O4 -","- C92 H100 Br4 N8 O16 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Lorkin, Thomas J. A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of (-)-martinellic Acid.","Organic letters","2013","15","8","2050","2053","10.1021/ol4007508","","","0.71073","MoKα","","0.0471","0.038","","0.0822","0.0766","0.0822","","","","","","0.9119","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511962","9.7546","0.0003","10.4476","0.0003","10.2161","0.0003","90","","99.939","0.003","90","","1025.52","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Prevezol C <b>1</b>","","","- C20 H33 Br O3 -","- C20 H33 Br O3 -","- C40 H66 Br2 O6 -","2","1","","Leung, Anna E.; Blair, Michael; Forsyth, Craig M.; Tuck, Kellie L.","Synthesis of the Proposed Structures of Prevezol C","Organic Letters","2013","15","9","2198","","10.1021/ol400754e","","","1.54184","CuKα","","0.0228","0.0225","","","0.0581","0.0584","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511963","8.9991","0.0002","10.9067","0.0003","10.2688","0.0002","90","","100.666","0.002","90","","990.47","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Prevezol C <b>2</b>","","","- C20 H33 Br O3 -","- C20 H33 Br O3 -","- C40 H66 Br2 O6 -","2","1","","Leung, Anna E.; Blair, Michael; Forsyth, Craig M.; Tuck, Kellie L.","Synthesis of the Proposed Structures of Prevezol C","Organic Letters","2013","15","9","2198","","10.1021/ol400754e","","","1.54184","CuKα","","0.0242","0.0241","","","0.0653","0.0653","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511964","9.075","0.001","9.818","0.001","11.417","0.001","76.443","0.001","79.217","0.001","69.002","0.002","917.25","0.16","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C42 H40 O14 -","2","1","","Asai, Teigo; Otsuki, Sae; Sakurai, Hiroaki; Yamashita, Kouwa; Ozeki, Tomoji; Oshima, Yoshiteru","Benzophenones from an Endophytic Fungus, Graphiopsis chlorocephala, from Paeonia lactiflora Cultivated in the Presence of an NAD(+)-Dependent HDAC Inhibitor.","Organic letters","2013","15","8","2058","2061","10.1021/ol400781b","","","0.689","synchrotron","","0.0851","0.0684","","","0.1935","0.2086","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511965","22.7298","0.0008","7.4458","0.0003","14.682","0.0005","90","","106.344","0.001","90","","2384.39","0.15","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","1","","Coffman, Keith C.; Palazzo, Teresa A.; Hartley, Timothy P.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Heterocycle-Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones.","Organic letters","2013","15","8","2062","2065","10.1021/ol400787y","","","1.54178","CuKα","","0.0346","0.0342","","","0.0912","0.0916","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511966","7.3367","0.0002","8.3229","0.0002","10.8176","0.0002","94.29","0.001","98.457","0.001","96.954","0.001","645.67","0.03","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Coffman, Keith C.; Palazzo, Teresa A.; Hartley, Timothy P.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Heterocycle-Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones.","Organic letters","2013","15","8","2062","2065","10.1021/ol400787y","","","1.54178","CuKα","","0.0359","0.0328","","","0.0883","0.0911","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511967","7.395","0.0004","11.2941","0.0006","15.9223","0.0009","90","","98.801","0.002","90","","1314.17","0.12","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Coffman, Keith C.; Palazzo, Teresa A.; Hartley, Timothy P.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Heterocycle-Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones.","Organic letters","2013","15","8","2062","2065","10.1021/ol400787y","","","1.54178","CuKα","","0.0353","0.0348","","","0.0883","0.0887","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511968","9.9191","0.0014","11.0491","0.0016","11.6448","0.0017","70.716","0.002","83.065","0.003","67.371","0.002","1111.9","0.3","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","2","","Gandeepan, Parthasarathy; Cheng, Chien-Hong","Pd-Catalyzed π-Chelation Assistedortho-C‒H Activation and Annulation of Allylarenes with Internal Alkynes","Organic Letters","2013","15","9","2084","","10.1021/ol400792y","","","0.71073","MoKα","","0.1143","0.0581","","","0.1376","0.178","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511969","8.6457","0.0002","21.8252","0.0004","11.2484","0.0002","90","","90.654","0.002","90","","2122.37","0.07","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O4 -","- C21 H32 N2 O4 -","- C84 H128 N8 O16 -","4","1","","Roy, O.; Caumes, C.; Esvan, Y.; Didierjean, C.; Faure, S.; Taillefumier, C.","Thetert-Butyl Side Chain: A Powerful Means to Lock Peptoid Amide Bonds in the Cis Conformation","Organic Letters","2013","15","9","2246","","10.1021/ol400820y","","x-ray","1.54018","","","0.0448","0.0381","","","0.0941","0.1004","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511970","9.065","0.004","9.097","0.003","13.423","0.005","90","","90.573","0.015","90","","1106.9","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N O8 -","- C22 H20 Br N O8 -","- C44 H40 Br2 N2 O16 -","2","1","","Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang","Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center","Organic Letters","2013","15","9","2250","","10.1021/ol400821q","","","0.71073","MoKα","","0.0734","0.068","","","0.1712","0.1792","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511971","10.2524","0.001","13.6597","0.0014","17.1559","0.0018","90","","90","","90","","2402.6","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N O5 S -","- C25 H24 Cl N O5 S -","- C100 H96 Cl4 N4 O20 S4 -","4","1","","Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang","Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center","Organic Letters","2013","15","9","2250","","10.1021/ol400821q","","","0.71073","MoKα","","0.0521","0.0359","","","0.0957","0.1036","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511972","5.7094","0.0005","8.0503","0.0007","12.0187","0.0011","96.617","0.001","102.096","0.002","90.948","0.001","536.07","0.08","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C26 H22 N6 -","1","0.5","","Fan, Wei; Ye, Qin; Xu, Hai-Wei; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","Novel Double [3 + 2 + 1] Heteroannulation for Forming Unprecedented Dipyrazolo-Fused 2,6-Naphthyridines","Organic Letters","2013","15","9","2258","","10.1021/ol4008266","","","0.71073","MoKα","","0.1434","0.0665","","","0.1146","0.1324","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511973","6.2078","0.0006","14.3876","0.0013","14.9337","0.0013","90","","98.625","0.003","90","","1318.7","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C52 H42 Br2 N4 O4 -","2","1","","Liu, Renrong; Zhang, Junliang","Organocatalytic Michael Addition of Indoles to Isatylidene-3-acetaldehydes: Application to the Formal Total Synthesis of (−)-Chimonanthine","Organic Letters","2013","15","9","2266","","10.1021/ol400845c","","","0.71073","MoKα","","0.0577","0.0522","","","0.1381","0.1417","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511974","7.2349","0.0008","18.662","0.002","10.0294","0.0011","90","","104.708","0.003","90","","1309.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Liu, Renrong; Zhang, Junliang","Organocatalytic Michael Addition of Indoles to Isatylidene-3-acetaldehydes: Application to the Formal Total Synthesis of (−)-Chimonanthine","Organic Letters","2013","15","9","2266","","10.1021/ol400845c","","","0.71073","MoKα","","0.0433","0.0342","","","0.0895","0.0964","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511975","7.6708","0.0009","8.4422","0.0011","12.7475","0.0014","90","","105.477","0.006","90","","795.57","0.17","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Fujihara, Tetsuaki; Tatsumi, Kenta; Terao, Jun; Tsuji, Yasushi","Palladium-Catalyzed Formal Hydroacylation of Allenes Employing Acid Chlorides and Hydrosilanes","Organic Letters","2013","15","9","2286","","10.1021/ol400862k","","","0.7107","MoKα","","","0.0556","","","","0.1426","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512027","6.9763","0.0005","13.1038","0.001","17.5908","0.0013","90","","90","","90","","1608.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Cl N O -","- C16 H28 Cl N O -","- C64 H112 Cl4 N4 O4 -","4","1","","Dalton, Derek M.; Rovis, Tomislav","Catalytic, Asymmetric Indolizidinone Aza-Quaternary Stereocenter Synthesis: Expedient Synthesis of the Cylindricine Alkaloid Core","Organic Letters","2013","15","10","2346","","10.1021/ol400529k","","","0.71073","MoKα","","0","0.0599","","","0.1535","0.1661","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512028","5.61159","0.0001","11.5643","0.0003","24.3578","0.0004","90","","90","","90","","1580.68","0.06","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C52 H44 Br4 N8 O12 S4 -","4","1","","Simpson, Alain J.; Lam, Hon Wai","Enantioselective nickel-catalyzed Michael additions of 2-acetylazaarenes to nitroalkenes.","Organic letters","2013","15","11","2586","2589","10.1021/ol400578c","","","0.71073","MoKα","","0.0401","0.0305","","","0.0713","0.0744","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512029","8.553","0.001","20.159","0.002","12.1697","0.0013","90","","101.109","0.003","90","","2059","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N Si -","- C28 H21 N Si -","- C112 H84 N4 Si4 -","4","1","","Tokoro, Yuichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of Dibenzo[b,f]silepins with a Benzoquinolyl Ligand","Organic Letters","2013","15","10","2366","","10.1021/ol400730n","","","0.71075","MoKα","","0.051","0.0411","","","0.1307","0.1678","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512030","7.8852","0.0006","14.9048","0.0012","17.1614","0.0013","90","","99.5","0.002","90","","1989.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N O Si -","- C27 H19 N O Si -","- C108 H76 N4 O4 Si4 -","4","1","","Tokoro, Yuichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of Dibenzo[b,f]silepins with a Benzoquinolyl Ligand","Organic Letters","2013","15","10","2366","","10.1021/ol400730n","","","0.71075","MoKα","","0.0906","0.0591","","","0.1562","0.2166","","","","","","1.169","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512031","9.4606","0.0007","11.498","0.0006","9.8624","0.0005","90","","109.521","0.003","90","","1011.15","0.11","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 F N Si -","- C27 H18 F N Si -","- C54 H36 F2 N2 Si2 -","2","1","","Tokoro, Yuichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of Dibenzo[b,f]silepins with a Benzoquinolyl Ligand","Organic Letters","2013","15","10","2366","","10.1021/ol400730n","","","0.71075","MoKα","","0.051","0.0342","","","0.0689","0.0919","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512032","6.8452","0.0014","8.3203","0.0017","14.503","0.003","95.38","0.03","96.01","0.03","107.25","0.03","777.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C34 H36 N8 O6 -","2","1","","Li, Qi; Li, Guang; Ma, Shaobo; Feng, Pengju; Shi, Yian","An approach to the skeleton of aspidophylline a.","Organic letters","2013","15","11","2601","2603","10.1021/ol4007713","","","0.71073","MoKα","","0.0469","0.0438","","","0.1057","0.1081","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512033","7.743","0.004","20.491","0.01","10.441","0.006","90","","106.285","0.007","90","","1590.1","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C68 H72 N16 O12 -","4","1","","Li, Qi; Li, Guang; Ma, Shaobo; Feng, Pengju; Shi, Yian","An approach to the skeleton of aspidophylline a.","Organic letters","2013","15","11","2601","2603","10.1021/ol4007713","","","0.71073","MoKα","","0.1123","0.0958","","","0.2674","0.3161","","","","","","2.354","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512034","9.611","0.002","27.655","0.008","7.103","0.003","90","","96.212","0.004","90","","1876.8","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl3 N2 O4 -","- C19 H19 Cl3 N2 O4 -","- C76 H76 Cl12 N8 O16 -","4","1","","Li, Qi; Li, Guang; Ma, Shaobo; Feng, Pengju; Shi, Yian","An approach to the skeleton of aspidophylline a.","Organic letters","2013","15","11","2601","2603","10.1021/ol4007713","","","0.71073","MoKα","","0.0508","0.0452","","","0.1074","0.1118","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512035","18.314","0.012","4.669","0.003","16.383","0.011","90","","92.828","0.011","90","","1399.2","1.6","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C72 H84 O4 -","2","0.5","","Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng","Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene","Organic Letters","2013","15","10","2382","","10.1021/ol400790d","","","0.71073","MoKα","","0.1058","0.0756","","","0.202","0.2312","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512036","7.5749","0.0012","9.3554","0.0015","9.7521","0.0016","87.313","0.003","76.401","0.003","88.405","0.003","670.88","0.19","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C36 H42 O2 -","1","0.5","","Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng","Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene","Organic Letters","2013","15","10","2382","","10.1021/ol400790d","","","0.71073","MoKα","","0.0784","0.0495","","","0.1425","0.1817","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512037","36.68","0.012","4.7179","0.0016","16.708","0.006","90","","105.089","0.006","90","","2791.7","1.7","140","2","140","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C144 H168 O8 -","4","0.5","","Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng","Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene","Organic Letters","2013","15","10","2382","","10.1021/ol400790d","","","0.71073","MoKα","","0.0941","0.0507","","","0.1259","0.1491","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512038","14.7579","0.0002","10.3799","0.0002","22.7275","0.0004","90","","90","","90","","3481.52","0.1","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C176 H128 N32 O16 -","16","2","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0547","0.0356","","0.0903","0.0809","0.0903","","","","","","0.9785","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512039","6.1127","0.0002","11.3456","0.0005","28.0659","0.0011","90","","91.5937","0.0018","90","","1945.68","0.13","200","","200","","","","","","","","local","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl3 N2 O2 Si -","- C16 H15 Cl3 N2 O2 Si -","- C64 H60 Cl12 N8 O8 Si4 -","4","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0884","0.0696","","0.2091","0.1898","0.2091","","","","","","1.0235","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512040","13.8283","0.0006","7.4374","0.0002","24.5877","0.0009","90","","90","","90","","2528.76","0.16","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0784","0.0459","","0.1055","0.0935","0.1055","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512041","8.2495","0.0001","22.3491","0.0003","13.1812","0.0002","90","","100.218","0.0007","90","","2391.66","0.06","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H7 I N2 O -","- C6 H7 I N2 O -","- C72 H84 I12 N24 O12 -","12","3","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0319","0.0252","","0.0619","0.0601","0.0619","","","","","","0.9769","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512042","12.3949","0.0002","12.5045","0.0003","17.7115","0.0004","90","","94.3358","0.0013","90","","2737.28","0.1","200","","200","","","","","","","","local","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N2 O Si -","- C13 H16 N2 O Si -","- C104 H128 N16 O8 Si8 -","8","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0492","0.0418","","0.1193","0.1139","0.1193","","","","","","0.9984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512043","10.4811","0.0002","12.0788","0.0003","11.7324","0.0003","90","","112.056","0.0014","90","","1376.62","0.06","200","","200","","","","","","","","local","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O Si -","- C13 H16 N2 O Si -","- C52 H64 N8 O4 Si4 -","4","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.061","0.0501","","0.1441","0.1377","0.1441","","","","","","0.9913","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512044","13.3557","0.0001","15.3193","0.0002","14.7851","0.0002","90","","107.192","0.0008","90","","2889.87","0.06","200","","200","","","","","","","","local","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Au N3 O P -","- C30 H33 Au N3 O P -","- C120 H132 Au4 N12 O4 P4 -","4","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0361","0.0251","","0.0548","0.05","0.0548","","","","","","0.9879","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512045","6.113","0.0009","23.108","0.003","15.156","0.002","90","","91.651","0.002","90","","2140","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.1484","0.0533","","","0.0898","0.1186","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512046","6.096","0.003","23.371","0.011","15.284","0.007","90","","92.241","0.006","90","","2175.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 F N2 O2 S -","- C25 H23 F N2 O2 S -","- C100 H92 F4 N8 O8 S4 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.1138","0.0809","","","0.2278","0.2542","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512047","10.096","0.002","11.421","0.003","20.313","0.004","90","","90","","90","","2342.2","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C112 H100 N4 O8 S4 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.0357","0.0323","","","0.0827","0.0859","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512048","10.1751","0.0009","10.5681","0.0009","12.5199","0.0011","67.493","0.001","75.227","0.001","75.326","0.001","1184.22","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl N O2 S -","- C28 H24 Cl N O2 S -","- C56 H48 Cl2 N2 O4 S2 -","2","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.0636","0.0445","","","0.1065","0.1177","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512049","20.4458","0.0019","8.6442","0.0007","27.52","0.002","90","","110.55","0.002","90","","4554.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C192 H216 N8 O40 S8 -","8","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.0779","0.0602","","","0.1817","0.1978","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512050","39.94","0.008","21.107","0.004","18.631","0.004","90","","104.88","0.03","90","","15179","6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H26.25 O6.12 -","- C21 H26 O6 -","- C672 H832 O192 -","32","4","","Saitman, Alec; Theodorakis, Emmanuel A.","Synthesis of a Highly Functionalized Core of Verrillin","Organic Letters","2013","15","10","2410","","10.1021/ol400872h","","","0.71073","MoKα","","0.0955","0.0536","","","0.1188","0.132","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512051","10.9278","0.0004","7.8689","0.0003","17.8522","0.0008","90","","97.429","0.002","90","","1522.22","0.11","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Saitman, Alec; Theodorakis, Emmanuel A.","Synthesis of a Highly Functionalized Core of Verrillin","Organic Letters","2013","15","10","2410","","10.1021/ol400872h","","","0.71073","MOKα","","0.148","0.0674","","","0.1433","0.1847","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512052","6.42235","0.00012","10.7946","0.0002","24.6088","0.0005","90","","90","","90","","1706.05","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Takechi, Sho; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α-Sulfanyl Lactones.","Organic letters","2013","15","11","2632","2635","10.1021/ol4008734","","","1.54187","CuKα","","","0.0309","","","","0.084","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512053","26.4401","0.0018","22.3692","0.0009","18.4184","0.0014","90","","131.651","0.012","90","","8139.7","1.8","143","0.1","143","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H52 N4 O5 -","- C36 H52 N4 O5 -","- C288 H416 N32 O40 -","8","2","","Feng, Juhua; Fu, Xuan; Chen, Zhenling; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Efficient enantioselective synthesis of dihydropyrans using a chiral n,n'-dioxide as organocatalyst.","Organic letters","2013","15","11","2640","2643","10.1021/ol400894j","","","0.7107","MoKα","","0.1419","0.1136","","","0.3001","0.326","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512054","4.546","0.002","12.028","0.005","25.78","0.01","90","","90","","90","","1409.6","1","123.2","","123.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Sakai, Takahiro; Soeta, Takahiro; Endo, Kohei; Fujinami, Shuhei; Ukaji, Yutaka","Magnesium‒Tartramide Complex Mediated Asymmetric Strecker-Type Reaction of Nitrones Using Cyanohydrin","Organic Letters","2013","15","10","2422","","10.1021/ol400898p","","","0.7107","MoKα","","","0.0615","","","","0.0796","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512055","8.2665","0.001","15.4258","0.0019","13.4105","0.0016","90","","96.438","0.007","90","","1699.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","","Bhunia, Subhajit; Ghosh, Santanu; Dey, Dhananjay; Bisai, Alakesh","DDQ-mediated Direct Intramolecular-Dehydrogenative-Coupling (IDC): Expeditious Approach to the Tetracyclic Core of Ergot Alkaloids","Organic Letters","2013","15","10","2426","","10.1021/ol400899e","","","0.71073","MoKα","","0.0699","0.0497","","","0.1368","0.1488","","","","","","1.036","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512056","8.487","0.0007","16.8559","0.0015","12.9682","0.0012","90","","95.375","0.005","90","","1847","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","Bhunia, Subhajit; Ghosh, Santanu; Dey, Dhananjay; Bisai, Alakesh","DDQ-mediated Direct Intramolecular-Dehydrogenative-Coupling (IDC): Expeditious Approach to the Tetracyclic Core of Ergot Alkaloids","Organic Letters","2013","15","10","2426","","10.1021/ol400899e","","","0.71073","MoKα","","0.057","0.0435","","","0.1088","0.1198","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512057","7.7627","0.0003","11.0574","0.0004","11.2765","0.0004","90","","103.614","0.002","90","","940.73","0.06","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Bartlett, Mark J.; Turner, Claire A.; Harvey, Joanne E.","Pd-Catalyzed Allylic Alkylation Cascade with Dihydropyrans: Regioselective Synthesis of Furo[3,2-c]pyrans","Organic Letters","2013","15","10","2430","","10.1021/ol400902d","","","0.71073","MoKα","","0.0488","0.0468","","","0.1163","0.1176","","","","","","1.198","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512058","9.2293","0.0003","11.9799","0.0005","9.5067","0.0003","90","","110.433","0.002","90","","984.98","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Pinho, Vagner D.; Procter, David J.; Burtoloso, Antonio C. B.","SmI2-Mediated Couplings of α-Amino Acid Derivatives. Formal Synthesis of (−)-Pumiliotoxin 251D and (±)-Epiquinamide","Organic Letters","2013","15","10","2434","","10.1021/ol400903n","","","1.54178","CuKα","","0.0407","0.037","","","0.0934","0.0965","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512059","9.241","0.0017","7.3317","0.0013","14.239","0.003","90","","106.149","0.003","90","","926.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 F3 N O6 -","- C17 H26 F3 N O6 -","- C34 H52 F6 N2 O12 -","2","1","","Cheng, Jin-Tang; Liu, Fei; Li, Xiao-Nian; Wu, Xing-De; Dong, Liao-Bin; Peng, Li-Yan; Huang, Sheng-Xiong; He, Juan; Zhao, Qin-Shi","Lycospidine A, a New Type ofLycopodiumAlkaloid fromLycopodium complanatum","Organic Letters","2013","15","10","2438","","10.1021/ol400907v","","","0.71073","MoKα","","0.0415","0.037","","","0.097","0.1002","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512060","11.4541","0.0006","7.2648","0.0003","16.2468","0.0007","90","","98.293","0.002","90","","1337.79","0.11","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O Si -","- C15 H16 O Si -","- C60 H64 O4 Si4 -","4","1","","Martinez-Solorio, Dionicio; Hoye, Adam T.; Nguyen, Minh H.; Smith, Amos B.","The Design, Synthesis and Validation of Recoverable and Readily Reusable Siloxane Transfer Agents for Pd-Catalyzed Cross-Coupling Reactions","Organic Letters","2013","15","10","2454","","10.1021/ol400922j","","","0.71073","MoKα","","0.0345","0.0314","","","0.0838","0.0864","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512061","12.404","0.007","15.975","0.008","19.814","0.007","90","","107.76","0.04","90","","3739","3","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C38 H44 N2 O11 S -","- C38 H44 N2 O11 S -","- C152 H176 N8 O44 S4 -","4","2","","Amat, Mercedes; Arioli, Federica; Pérez, Maria; Molins, Elies; Bosch, Joan","Preparation and Double Michael Addition Reactions of a Synthetic Equivalent of the Nazarov Reagent","Organic Letters","2013","15","10","2470","","10.1021/ol400934c","","x-ray","0.71073","MoKα","","0.1151","0.0905","","","0.2586","0.2782","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512062","9.54807","0.00018","13.6451","0.0003","17.5212","0.0003","90","","93.5885","0.0018","90","","2278.26","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O4 S -","- C23 H28 N2 O4 S -","- C92 H112 N8 O16 S4 -","4","1","","Yan, Xu; Liao, Jinxi; Lu, Yongzhi; Liu, Jinsong; Zeng, Youlin; Cai, Qian","Pd-Catalyzed One-Pot Synthesis of Polysubstituted Acrylamidines from Isocyanides, Diazo Compounds, and Imines","Organic Letters","2013","15","10","2478","","10.1021/ol4009552","","","1.54184","CuKα","","0.0566","0.0441","","","0.1073","0.1147","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512063","5.858","0.007","28.33","0.03","9.954","0.011","90","","90.62","0.017","90","","1652","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Zhang, Li; Li, Zhiming; Fan, Renhua","Metal-Controlled Cycloaddition of 2-Alkynyl-1,4-benzoquinones and Styrenyl Systems: Lewis Acid versus π Acid","Organic Letters","2013","15","10","2482","","10.1021/ol400956h","","","0.71073","MoKα","","0.0978","0.0691","","","0.1637","0.1791","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512064","10.302","0.005","10.818","0.005","15.186","0.008","90","","99.154","0.006","90","","1670.9","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Zhang, Li; Li, Zhiming; Fan, Renhua","Metal-Controlled Cycloaddition of 2-Alkynyl-1,4-benzoquinones and Styrenyl Systems: Lewis Acid versus π Acid","Organic Letters","2013","15","10","2482","","10.1021/ol400956h","","","0.71073","MoKα","","0.0911","0.073","","","0.1899","0.209","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512065","7.349","0.005","9.997","0.007","10.881","0.007","108.638","0.009","94.822","0.003","106.72","0.008","711.7","0.8","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 Ru -","- C19 H20 Ru -","- C38 H40 Ru2 -","2","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0549","","","","0.1357","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512066","10.3078","0.0006","10.4979","0.0004","14.5178","0.0012","90","","109.452","0.003","90","","1481.3","0.16","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Ru -","- C20 H22 Ru -","- C80 H88 Ru4 -","4","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0467","","","","0.1448","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512067","7.5875","0.0015","15.884","0.003","13.803","0.003","90","","97.204","0.003","90","","1650.4","0.6","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Ru -","- C21 H24 Ru -","- C84 H96 Ru4 -","4","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0331","","","","0.098","","","","","","0.778","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512068","7.804","0.003","10.072","0.004","12.89","0.005","83.87","0.018","75.728","0.014","70.527","0.011","925.4","0.6","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 O4 Ru -","- C19 H26 O4 Ru -","- C38 H52 O8 Ru2 -","2","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0403","","","","0.115","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512069","7.8725","0.0017","10.123","0.003","12.283","0.003","85.138","0.009","77.763","0.008","71.325","0.006","906.1","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 O4 Ru -","- C19 H26 O4 Ru -","- C38 H52 O8 Ru2 -","2","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)–Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0297","","","","0.0902","","","","","","0.821","","","","has coordinates","275142","2022-05-06","20:19:24",""
"1512070","7.8164","0.0017","14.895","0.004","16.387","0.004","90","","92.68","0.003","90","","1905.8","0.8","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O4 Ru -","- C20 H28 O4 Ru -","- C80 H112 O16 Ru4 -","4","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0375","","","","0.1118","","","","","","0.851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512071","16.6226","0.0013","8.1062","0.0004","21.4226","0.0012","90","","92.615","0.004","90","","2883.6","0.3","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 Ru -","- C20 H28 O4 Ru -","- C120 H168 O24 Ru6 -","6","3","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0375","","","","0.1016","","","","","","0.874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512072","30.662","0.008","10.244","0.003","15.125","0.004","90","","119.651","0.003","90","","4129","2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 O4 Ru -","- C21 H30 O4 Ru -","- C168 H240 O32 Ru8 -","8","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0587","","","","0.1857","","","","","","0.911","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512073","7.8627","0.0013","9.8754","0.0016","11.834","0.002","84.958","0.007","78.458","0.005","72.093","0.005","856.3","0.2","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O5 Ru -","- C18 H24 O5 Ru -","- C36 H48 O10 Ru2 -","2","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0365","","","","0.1203","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512074","10.0452","0.0016","10.5711","0.0017","20.709","0.003","90","","90","","90","","2199.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 I N2 O2 P -","- C22 H22 I N2 O2 P -","- C88 H88 I4 N8 O8 P4 -","4","1","","Casimiro, María; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando","DirectedOrtho-Lithiation of Aminophosphazenes: An Efficient Route to the Stereoselective Synthesis ofP-Chiral Compounds","Organic Letters","2013","15","10","2378","","10.1021/ol400971q","","","0.71073","MoKα","","0.0449","0.0342","","","0.0496","0.0514","","","","","","0.762","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512075","6.2139","0.0007","15.0497","0.0017","26.986","0.003","90","","90","","90","","2523.7","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","12226a","","","- C27 H30 N2 O3 S2 -","- C27 H30 N2 O3 S2 -","- C108 H120 N8 O12 S8 -","4","1","","Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can","A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines","Organic Letters","2013","15","10","2514","","10.1021/ol400989x","","","0.71073","MoKα","","0.0617","0.044","","","0.0892","0.0972","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512076","5.9941","0.0007","15.9821","0.0019","16.971","0.002","90","","90","","90","","1625.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","13013a","","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C64 H80 N8 O12 S4 -","4","1","","Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can","A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines","Organic Letters","2013","15","10","2514","","10.1021/ol400989x","","","0.71073","MoKα","","0.0541","0.0407","","","0.0861","0.0922","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512077","6.1458","0.0008","16.246","0.002","20.503","0.003","90","","90","","90","","2047.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","13045b","","","- C22 H24 N2 O3 S -","- C22 H24 N2 O3 S -","- C88 H96 N8 O12 S4 -","4","1","","Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can","A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines","Organic Letters","2013","15","10","2514","","10.1021/ol400989x","","","1.54178","CuKα","","0.0516","0.0372","","","0.0769","0.0865","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512078","29.5357","0.0003","15.7962","0.0002","20.0056","0.0002","90","","96.313","0.001","90","","9277.05","0.18","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H43.5 O1.75 -","- C25 H42 O -","- C400 H672 O16 -","16","4","","Xiao, Ze’en; Huang, Huarong; Shao, Changlun; Xia, Xuekui; Ma, Lin; Huang, Xishan; Lu, Yongjun; Lin, Yongcheng; Long, Yuhua; She, Zhigang","Asperterpenols A and B, New Sesterterpenoids Isolated from a Mangrove Endophytic FungusAspergillussp. 085242","Organic Letters","2013","15","10","2522","","10.1021/ol401005j","","","1.54178","CuKα","","0.0524","0.0489","","","0.1309","0.134","","","","","","1.033","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512079","12.6439","0.0003","6.8702","0.0002","13.2201","0.0004","90","","97.454","0.002","90","","1138.67","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H42 O2 -","- C25 H42 O2 -","- C50 H84 O4 -","2","1","","Xiao, Ze’en; Huang, Huarong; Shao, Changlun; Xia, Xuekui; Ma, Lin; Huang, Xishan; Lu, Yongjun; Lin, Yongcheng; Long, Yuhua; She, Zhigang","Asperterpenols A and B, New Sesterterpenoids Isolated from a Mangrove Endophytic FungusAspergillussp. 085242","Organic Letters","2013","15","10","2522","","10.1021/ol401005j","","","1.54178","CuKα","","0.063","0.0595","","","0.1499","0.154","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512080","11.3639","0.0013","13.2788","0.0015","18.587","0.002","75.262","0.006","79.729","0.007","70.965","0.005","2550.2","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H58 Cl4 N4 O2 Pd -","- C55 H58 Cl4 N4 O2 Pd -","- C110 H116 Cl8 N8 O4 Pd2 -","2","1","","Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu","Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.","Organic letters","2013","15","11","2716","2719","10.1021/ol4010189","","","0.71075","MoKα","","","0.0564","","","","0.1352","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512081","9.525","0.007","9.705","0.006","13.059","0.008","69.341","0.014","87.28","0.03","87.5","0.03","1127.8","1.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Cl2 N4 O2 Pd -","- C48 H60 Cl2 N4 O2 Pd -","- C48 H60 Cl2 N4 O2 Pd -","1","0.5","","Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu","Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.","Organic letters","2013","15","11","2716","2719","10.1021/ol4010189","","","0.71075","MoKα","","","0.0802","","","","0.1901","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512082","9.363","0.002","14.332","0.003","19.941","0.004","90","","98.871","0.004","90","","2643.9","1","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl N2 O Pd -","- C30 H33 Cl N2 O Pd -","- C120 H132 Cl4 N8 O4 Pd4 -","4","1","","Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu","Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.","Organic letters","2013","15","11","2716","2719","10.1021/ol4010189","","","0.71075","MoKα","","","0.0541","","","","0.1219","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512083","11.9986","0.0013","23.347","0.003","19.104","0.002","90","","92.8783","0.0016","90","","5344.9","1.1","93","","93","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C48 H60 F12 N4 O4 Pd Sb2 -","- C48 H60 F12 N4 O4 Pd Sb2 -","- C192 H240 F48 N16 O16 Pd4 Sb8 -","4","1","","Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu","Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.","Organic letters","2013","15","11","2716","2719","10.1021/ol4010189","","","0.71075","MoKα","","","0.0234","","","","0.0571","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512084","13.2199","0.0005","11.4301","0.0004","21.0851","0.0008","90","","90.191","0.004","90","","3186","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 N2 O2 S -","- C39 H34 N2 O2 S -","- C156 H136 N8 O8 S4 -","4","1","","Xing, Yanpeng; Zhao, Hongyang; Shang, Qiongyi; Wang, Jing; Lu, Ping; Wang, Yanguang","Parallel Copper Catalysis: Diastereoselective Synthesis of Polyfunctionalized Azetidin-2-imines.","Organic letters","2013","15","11","2668","2671","10.1021/ol4010323","","","0.71073","MoKα","","0.0715","0.0442","","","0.0981","0.1135","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512085","11.6466","0.0009","11.9984","0.0009","12.9367","0.0012","67.388","0.008","64.731","0.008","85.073","0.006","1502.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 N2 O2 S -","- C37 H30 N2 O2 S -","- C74 H60 N4 O4 S2 -","2","1","","Xing, Yanpeng; Zhao, Hongyang; Shang, Qiongyi; Wang, Jing; Lu, Ping; Wang, Yanguang","Parallel Copper Catalysis: Diastereoselective Synthesis of Polyfunctionalized Azetidin-2-imines.","Organic letters","2013","15","11","2668","2671","10.1021/ol4010323","","","0.71073","MoKα","","0.101","0.0746","","","0.1879","0.2105","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512086","10.8394","0.0011","11.4488","0.0012","11.4719","0.0009","74.667","0.001","81.908","0.002","63.495","0.001","1228.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C50 H44 Cl2 N6 O10 -","2","1","","Feng, Xian; Wang, Qian; Lin, Wei; Dou, Guo-Lan; Huang, Zhi-Bin; Shi, Da-Qing","Highly Efficient Synthesis of Polysubstituted Pyrroles via Four-Component Domino Reaction","Organic Letters","2013","15","10","2542","","10.1021/ol4010382","","","0.71073","MoKα","","0.1129","0.0563","","","0.1102","0.1424","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512087","6.0852","0.0002","11.7873","0.0004","35.4794","0.0012","90","","90","","90","","2544.87","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C104 H160 O24 -","8","2","","Alam, Rauful; Raducan, Mihai,; Eriksson, Lars; Szabó, Kálmán J.","Selective Formation of Adjacent Stereocenters by Allylboration of Ketones under Mild Neutral Conditions","Organic Letters","2013","15","10","2546","","10.1021/ol401055m","","","0.71073","MoKα","","0.0547","0.0528","","","0.1277","0.1287","","","","","","1.24","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512088","8.3171","0.0003","11.418","0.0006","17.1359","0.0009","90","","97.692","0.004","90","","1612.66","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C72 H64 Br4 N4 O4 -","4","1","","Alam, Rauful; Raducan, Mihai,; Eriksson, Lars; Szabó, Kálmán J.","Selective Formation of Adjacent Stereocenters by Allylboration of Ketones under Mild Neutral Conditions","Organic Letters","2013","15","10","2546","","10.1021/ol401055m","","","0.71073","MoKα","","0.0567","0.046","","","0.1096","0.116","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512089","28.7975","0.0016","7.8077","0.0004","16.5405","0.0009","90","","110.356","0.006","90","","3486.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C152 H128 Br8 N8 O16 -","8","1","","Alam, Rauful; Raducan, Mihai,; Eriksson, Lars; Szabó, Kálmán J.","Selective Formation of Adjacent Stereocenters by Allylboration of Ketones under Mild Neutral Conditions","Organic Letters","2013","15","10","2546","","10.1021/ol401055m","","","0.71073","MoKα","","0.0872","0.073","","","0.1494","0.156","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512090","7.5725","0.0003","15.488","0.0006","11.7937","0.0005","90","","100.558","0.001","90","","1359.78","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H37 N O5 Si -","- C28 H37 N O5 Si -","- C56 H74 N2 O10 Si2 -","2","1","","Wales, Steven M.; Walker, Morgan M.; Johnson, Jeffrey S.","Asymmetric Synthesis of Indole Homo-Michael Adducts via Dynamic Kinetic Friedel‒Crafts Alkylation with Cyclopropanes","Organic Letters","2013","15","10","2558","","10.1021/ol4010646","","","1.54178","CuKα","","0.0266","0.0262","","","0.0669","0.0673","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512091","9.528","0.006","9.517","0.005","25.51","0.012","90","","94.72","0.03","90","","2305","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R*,3R*)-1-tert-butyl 3-methyl 2-(hydroxydiphenylmethyl)indoline- 1,3-dicarboxylate","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C112 H116 N4 O20 -","4","1","","Kise, Naoki; Sueyoshi, Akinori; Takeuchi, Shin-Ichirou; Sakurai, Toshihiko","Electroreductive intermolecular coupling of 3-methoxycarbonylindoles with ketones.","Organic letters","2013","15","11","2746","2749","10.1021/ol4010799","","","0.71075","MoKα","","0.0767","0.0465","","","0.1107","0.1206","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512092","10.696","0.003","15.927","0.006","17.75","0.007","90","","91.808","0.014","90","","3022.3","1.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R*,3R*)-methyl 2-(1-hydroxycyclopentyl)-1-methylindoline-3-carboxylate","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","Kise, Naoki; Sueyoshi, Akinori; Takeuchi, Shin-Ichirou; Sakurai, Toshihiko","Electroreductive intermolecular coupling of 3-methoxycarbonylindoles with ketones.","Organic letters","2013","15","11","2746","2749","10.1021/ol4010799","","","0.71075","MoKα","","0.0976","0.059","","","0.1563","0.174","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512093","17.1633","0.0015","14.5957","0.0013","31.045","0.003","90","","103.967","0.002","90","","7547.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H62 N4 Ni0.5 O5 S -","- C112 H62 N4 Ni0.5 O5 S -","- C448 H248 N16 Ni2 O20 S4 -","4","1","","Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Sasamori, Takahiro; Murata, Yasujiro","Expansion of Orifices of Open C60 Derivatives and Formation of an Open C59S Derivative by Reaction with Sulfur.","Organic letters","2013","15","11","2750","2753","10.1021/ol401083c","","","0.71073","MoKα","","0.0887","0.0567","","","0.1225","0.1332","","","","","","1.015","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512094","17.122","0.002","14.8245","0.0019","31.17","0.004","90","","102.629","0.002","90","","7720.3","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H61.04 N4.96 Ni0.5 O4.52 S2 -","- C112 H61.04 N4.96 Ni0.5 O4.52 S2 -","- C448 H244.16 N19.84 Ni2 O18.08 S8 -","4","1","","Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Sasamori, Takahiro; Murata, Yasujiro","Expansion of Orifices of Open C60 Derivatives and Formation of an Open C59S Derivative by Reaction with Sulfur.","Organic letters","2013","15","11","2750","2753","10.1021/ol401083c","","","0.71073","MoKα","","0.0986","0.061","","","0.1404","0.1564","","","","","","1.014","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512095","18.8292","0.0002","15.7485","0.0002","20.6189","0.0002","90","","116.272","0.0007","90","","5482.58","0.11","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H36 N2 O3.75 S2 -","- C88 H36 N2 O3.755 S2 -","- C352 H144 N8 O15.02 S8 -","4","1","","Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Sasamori, Takahiro; Murata, Yasujiro","Expansion of Orifices of Open C60 Derivatives and Formation of an Open C59S Derivative by Reaction with Sulfur.","Organic letters","2013","15","11","2750","2753","10.1021/ol401083c","","","0.71075","MoKα","","0.141","0.0934","","","0.1524","0.1771","","","","","","1.211","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512096","7.2229","0.0004","13.4298","0.0007","15.5038","0.0008","95.483","0.004","98.449","0.005","99.913","0.005","1454.06","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl N3 O3 -","- C16 H10 Cl N3 O3 -","- C64 H40 Cl4 N12 O12 -","4","2","","Liang, Lei; Wang, Wei; Xu, Fengrong; Niu, Yan; Sun, Qi; Xu, Ping","Relay Catalysis by a Multifunctional Cu Catalyst in a Tandem Dehydro-/Dehalogenation Sequence along with N-Arylation.","Organic letters","2013","15","11","2770","2773","10.1021/ol401105x","","","0.7107","MoKα","","0.06","0.044","","","0.0964","0.1064","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512097","9.1257","0.001","9.1641","0.001","10.7395","0.0012","101.582","0.002","92.848","0.002","103.302","0.002","851.9","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C38 H38 N2 O4 S2 -","2","1","","Zhu, Can; Ma, Shengming","Coupling and Cyclization of o-Iodoanilines and Propargylic Bromides via Allenes: An Efficient Entry to Indomethacin.","Organic letters","2013","15","11","2782","2785","10.1021/ol401115a","","","0.71073","MoKα","","0.0651","0.054","","","0.1531","0.1652","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512098","8.843","0.0009","13.5211","0.0006","18.1943","0.0018","111.348","0.007","99.037","0.009","93.744","0.007","1983.2","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","2","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0799","0.05","","","0.1028","0.1169","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512099","8.6766","0.0007","13.6112","0.0012","14.5535","0.0012","99.558","0.007","106.757","0.007","91.782","0.007","1617.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","2","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.1218","0.0886","","","0.2247","0.2614","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512100","20.3706","0.0013","12.1324","0.0008","19.1982","0.0013","90","","109.562","0.001","90","","4470.9","0.5","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0825","0.0404","","","0.0997","0.1237","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512101","7.3464","0.0006","10.8853","0.001","12.7617","0.0008","75.437","0.007","80.472","0.006","76.649","0.008","954.76","0.14","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0949","0.0605","","","0.1506","0.1763","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512102","8.3832","0.0006","10.2607","0.0007","11.7781","0.0006","88.316","0.005","82.179","0.005","66.985","0.007","923.49","0.11","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C44 H40 N4 O6 -","2","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0806","0.0661","","","0.1752","0.1875","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512103","18.1208","0.0008","7.9048","0.0004","27.8786","0.0014","90","","90","","90","","3993.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C200 H160 N16 O24 -","8","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0683","0.0463","","","0.1097","0.1238","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512104","12.5589","0.0009","8.3367","0.0006","21.2041","0.0016","90","","93.547","0.003","90","","2215.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick","Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates.","Organic letters","2013","15","11","2814","2817","10.1021/ol401147w","","","1.54178","CuKα","","0.0443","0.0411","","","0.1105","0.113","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512105","11.3759","0.0012","11.6984","0.0012","15.9768","0.0016","90","","90","","90","","2126.2","0.4","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","CP254PPP","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C96 H108 N4 O16 S4 -","4","1","","Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick","Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates.","Organic letters","2013","15","11","2814","2817","10.1021/ol401147w","","","0.71073","MoKα","","0.0396","0.038","","","0.0993","0.1006","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512106","11.7276","0.0007","9.507","0.0006","20.4752","0.0013","90","","100.808","0.001","90","","2242.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CP197PPf2'","","","- C21 H31 N O5 S Si -","- C21 H31 N O5 S Si -","- C84 H124 N4 O20 S4 Si4 -","4","1","","Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick","Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates.","Organic letters","2013","15","11","2814","2817","10.1021/ol401147w","","","0.71073","MoKα","","0.0334","0.0301","","","0.0807","0.0833","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512107","9.8881","0.0008","29.449","0.003","11.4581","0.0011","90","","112.371","0.003","90","","3085.4","0.5","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","2","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0905","0.0531","","","0.1377","0.1654","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512108","27.442","0.003","5.3305","0.0004","23.203","0.002","90","","93.549","0.003","90","","3387.6","0.5","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C176 H144 N16 O16 -","8","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.1229","0.0596","","","0.1443","0.2003","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512109","9.7108","0.0008","32.689","0.004","12.1744","0.0013","90","","113.434","0.003","90","","3545.8","0.7","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C200 H144 N16 O8 -","8","2","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.1257","0.0523","","","0.1195","0.1858","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512110","36.9495","0.0008","10.683","0.0002","5.611","0.0001","90","","90","","90","","2214.84","0.07","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0641","0.0488","","","0.1272","0.1536","","","","","","1.194","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512111","8.8622","0.0011","9.9009","0.001","19.59","0.002","90","","96.015","0.004","90","","1709.4","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0855","0.0511","","","0.1145","0.1317","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512112","10.4219","0.0005","8.5137","0.0004","17.6503","0.0009","90","","101.891","0.002","90","","1532.49","0.13","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0606","0.0457","","","0.1249","0.1418","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512113","11.6161","0.0003","8.1844","0.0002","31.4284","0.0008","90","","90","","90","","2987.92","0.13","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0804","0.0502","","","0.1355","0.1678","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512114","10.2601","0.0007","8.3406","0.0006","18.1111","0.0013","90","","97.908","0.002","90","","1535.13","0.19","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0654","0.0493","","","0.1221","0.1332","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512115","14.488","0.003","7.515","0.0015","13.547","0.003","90","","105.95","0.03","90","","1418.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Gao, Peng; Liu, Jinjian; Wei, Yunyang","Hypervalent Iodine(III)-Mediated Benzannulation of Enamines with Alkynes for the Synthesis of Polysubstituted Naphthalene Derivatives.","Organic letters","2013","15","11","2872","2875","10.1021/ol401206g","","","0.71073","MoKα","","0.1335","0.0694","","","0.1569","0.1847","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512116","5.963","0.0005","13.8664","0.0012","20.4254","0.0017","90","","93.758","0.001","90","","1685.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl N O2 -","- C19 H26 Cl N O2 -","- C76 H104 Cl4 N4 O8 -","4","1","","Bonderoff, Sara A.; Grant, Tina N.; West, F. G.; Tremblay, Martin","Nazarov reactions of vinyl cyclopropylamines: an approach to the imino-nazarov problem.","Organic letters","2013","15","11","2888","2891","10.1021/ol4012663","","","0.71073","MoKα","","0.0484","0.0386","","","0.0952","0.1014","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512151","12.2496","0.0009","12.2496","0.0009","10.3796","0.0015","90","","90","","120","","1348.8","0.2","123","2","123","2","","","","","","","","6","P 31","P 31","144","","","","- C18 H15 F4 N O4 S -","- C18 H15 F4 N O4 S -","- C54 H45 F12 N3 O12 S3 -","3","1","","Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele","Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams","Organic Letters","2013","15","14","3686","","10.1021/ol401557v","","","0.71073","MoKα","","0.0358","0.0314","","","0.0764","0.0793","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512152","8.3971","0.0013","8.7391","0.0015","12.748","0.002","90","","94.95","0.02","90","","932","0.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H17 F4 N O4 S -","- C19 H17 F4 N O4 S -","- C38 H34 F8 N2 O8 S2 -","2","1","","Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele","Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams","Organic Letters","2013","15","14","3686","","10.1021/ol401557v","","","0.71073","MoKα","","0.0318","0.0286","","","0.0704","0.0725","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512164","13.5545","0.0006","14.3605","0.0006","16.0482","0.0008","90","","91.1723","0.0016","90","","3123.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 N Si2 -","- C31 H49 N Si2 -","- C124 H196 N4 Si8 -","4","1","","Ohmura, Toshimichi; Kijima, Akihito; Komori, Yusuke; Suginome, Michinori","Cycloaddition-based Formal C‒H Alkynylation of Isoindoles Leading to the Synthesis of Air-stable Fluorescent 1,3-Dialkynylisoindoles","Organic Letters","2013","15","14","3510","","10.1021/ol401051d","","","0.71075","MoKα","","0.1122","0.0523","","","0.1035","0.1508","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512165","18.747","0.003","20.288","0.002","10.5886","0.0017","90","","90","","90","","4027.3","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 Cl3 N O9 -","- C36 H52 Cl3 N O9 -","- C144 H208 Cl12 N4 O36 -","4","1","","Kim, Youngju; In, Yasuko; Ishida, Toshimasa; Onaka, Hiroyasu; Igarashi, Yasuhiro","Biosynthetic Origin of Alchivemycin A, a New Polyketide fromStreptomycesand Absolute Configuration of Alchivemycin B","Organic Letters","2013","15","14","3514","","10.1021/ol401071j","","","1.5418","CuKα","","0.1713","0.1065","","","0.2675","0.2891","","","","","","1.188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512166","10.8338","0.0011","12.0646","0.0012","16.1691","0.0016","90","","108.033","0.002","90","","2009.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 S3 -","- C12 H6 S3 -","- C96 H48 S24 -","8","2","","Aita, Kazunari; Ohmae, Takeshi; Takase, Masayoshi; Nomura, Kotohiro; Kimura, Hideaki; Nishinaga, Tohru","Dithieno[3,4-b:3′,4′-d]thiophene-Annelated Antiaromatic Planar Cyclooctatetraene with Olefinic Protons","Organic Letters","2013","15","14","3522","","10.1021/ol401125f","","","0.71073","MoKα","","0.032","0.0283","","","0.0659","0.0682","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512167","5.4055","0.0003","9.6991","0.0014","12.7818","0.0007","90","","100.422","0.007","90","","659.07","0.11","291.88","0.1","291.88","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C36 H24 N4 O2 -","2","1","","Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei","Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.","Organic letters","2013","15","15","3820","3823","10.1021/ol401338e","","","0.7107","MoKα","","0.0564","0.0439","","","0.1018","0.1133","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512168","10.5051","0.0002","10.4063","0.0002","14.7156","0.0003","90","","107.786","0.002","90","","1531.81","0.05","293.27","0.1","293.27","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Br3 N2 O -","- C14 H11 Br3 N2 O -","- C56 H44 Br12 N8 O4 -","4","1","","Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei","Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.","Organic letters","2013","15","15","3820","3823","10.1021/ol401338e","","","1.5418","CuKα","","0.0364","0.0344","","","0.0858","0.0877","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512169","8.139","0.0007","10.3526","0.0011","11.1111","0.0008","74.383","0.008","86.92","0.006","81.255","0.008","891.09","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Br3 N2 O -","- C18 H13 Br3 N2 O -","- C36 H26 Br6 N4 O2 -","2","1","","Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei","Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.","Organic letters","2013","15","15","3820","3823","10.1021/ol401338e","","","0.7107","MoKα","","0.0628","0.0392","","","0.0674","0.0775","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512170","7.2524","0.0011","10.756","0.002","14.1658","0.0019","90","","96.02","0.015","90","","1098.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","","Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei","Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.","Organic letters","2013","15","15","3820","3823","10.1021/ol401338e","","","0.7107","MoKα","","0.2579","0.183","","","0.4421","0.5458","","","","","","1.495","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512171","11.6095","0.001","8.1912","0.0007","14.3037","0.0012","90","","98.589","0.001","90","","1345","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","2","","Dong, Liao-Bin; Gao, Xiu; Liu, Fei; He, Juan; Wu, Xing-De; Li, Yan; Zhao, Qin-Shi","Isopalhinine A, a Unique PentacyclicLycopodiumAlkaloid fromPalhinhaea cernua","Organic Letters","2013","15","14","3570","","10.1021/ol401411m","","","0.71073","MoKα","","0.0299","0.0293","","","0.0783","0.079","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512172","7.8362","0.0006","10.7459","0.0008","18.6308","0.0013","90","","90","","90","","1568.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C68 H108 N4 O16 -","4","1","","Dong, Liao-Bin; Gao, Xiu; Liu, Fei; He, Juan; Wu, Xing-De; Li, Yan; Zhao, Qin-Shi","Isopalhinine A, a Unique PentacyclicLycopodiumAlkaloid fromPalhinhaea cernua","Organic Letters","2013","15","14","3570","","10.1021/ol401411m","","","0.71073","MoKα","","0.0324","0.0303","","","0.0789","0.0804","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512173","12.0261","0.0003","12.2758","0.0004","20.3157","0.0006","90","","105.703","0.001","90","","2887.27","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Br N2 O4 -","- C34 H24 Br N2 O4 -","- C136 H96 Br4 N8 O16 -","4","1","","Xing, Dong; Jing, Changcheng; Li, Xinfeng; Qiu, Huang; Hu, Wenhao","Highly Efficient Synthesis of Mixed 3,3′-Bisindoles via Rh(II)-Catalyzed Three-Component Reaction of 3-Diazooxindoles with Indoles and Ethyl Glyoxylate","Organic Letters","2013","15","14","3578","","10.1021/ol401414w","","","0.71073","MoKα","","0.0411","0.0333","","","0.0897","0.0945","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512174","9.2829","0.0009","11.152","0.0011","20.559","0.002","90","","91.176","0.009","90","","2127.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O5 S -","- C24 H21 N O5 S -","- C96 H84 N4 O20 S4 -","4","1","","Murugavel, Govindarasu; Punniyamurthy, Tharmalingam","Novel copper-catalyzed multicomponent cascade synthesis of iminocoumarin aryl methyl ethers.","Organic letters","2013","15","15","3828","3831","10.1021/ol4014359","","","0.71073","MoKα","","0.071","0.0463","","","0.1029","0.1183","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512175","11.548","0.0006","18.7363","0.0009","18.7916","0.0009","90","","106.296","0.0007","90","","3902.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl4 N4 O2 -","- C48 H34 Cl4 N4 O2 -","- C192 H136 Cl16 N16 O8 -","4","1","","Feng, Xing; Iwanaga, Fumitaka; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Nakano, Masahiro; Redshaw, Carl; Elsegood, Mark R. J.; Yamato, Takehiko","An Efficient Approach to the Synthesis of Novel Pyrene-Fused Azaacenes","Organic Letters","2013","15","14","3594","","10.1021/ol401438a","","","0.71073","MoKα","","0.0599","0.0479","","","0.1354","0.1447","","","","","","1.039","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512176","5.848","0.0002","11.0146","0.0003","29.0584","0.001","90","","90","","90","","1871.75","0.1","106.6","0.3","106.6","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 I N O3 -","- C19 H22 I N O3 -","- C76 H88 I4 N4 O12 -","4","1","","Yang, Wenqiang; Long, Yan; Zhang, Shasha; Zeng, Youlin; Cai, Qian","Copper-catalyzed enantioselective intramolecular N-arylation, an efficient method for kinetic resolutions.","Organic letters","2013","15","14","3598","3601","10.1021/ol401449b","","","1.5418","CuKα","","0.0398","0.0363","","","0.0891","0.0925","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512177","10.295","0.002","13.858","0.003","35.376","0.007","90","","92.18","0.03","90","","5043.4","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N8 O2 -","- C25 H24 N8 O2 -","- C200 H192 N64 O16 -","8","2","","Zhang, Hu; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Cu(OTf)2-Catalyzed Selective Arene C-H Bond Hydroxylation and Nitration with KNO2 as an Ambident O- and N-Nucleophile via a Cu(II)-Cu(III)-Cu(I) Mechanism.","Organic letters","2013","15","15","3836","3839","10.1021/ol401453f","","","0.71073","MoKα","","0.124","0.0967","","","0.2032","0.2173","","","","","","1.201","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512178","24.129","0.009","11.202","0.004","19.595","0.007","90","","119.366","0.005","90","","4616","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N7 O2 -","- C25 H27 N7 O2 -","- C200 H216 N56 O16 -","8","1","","Zhang, Hu; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Cu(OTf)2-Catalyzed Selective Arene C-H Bond Hydroxylation and Nitration with KNO2 as an Ambident O- and N-Nucleophile via a Cu(II)-Cu(III)-Cu(I) Mechanism.","Organic letters","2013","15","15","3836","3839","10.1021/ol401453f","","","0.71073","MoKα","","0.0877","0.0789","","","0.1595","0.164","","","","","","1.239","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512179","13.5543","0.0013","12.686","0.0012","8.9203","0.0009","90","","96.517","0.002","90","","1523.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O6 -","- C16 H15 N O6 -","- C64 H60 N4 O24 -","4","1","","Wang, Peng; Liao, Saihu; Zhu, Jian-Bo; Tang, Yong","Iron-Catalyzed Three-Component Reaction: Multiple C‒C Bond Cleavages and Reorganizations","Organic Letters","2013","15","14","3606","","10.1021/ol4014552","","","0.71073","MoKα","","0.0542","0.0438","","","0.1172","0.126","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512180","11.4167","0.0012","18.9563","0.0019","7.8459","0.0008","90","","106.362","0.002","90","","1629.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F3 O4 -","- C17 H15 F3 O4 -","- C68 H60 F12 O16 -","4","1","","Wang, Peng; Liao, Saihu; Zhu, Jian-Bo; Tang, Yong","Iron-Catalyzed Three-Component Reaction: Multiple C‒C Bond Cleavages and Reorganizations","Organic Letters","2013","15","14","3606","","10.1021/ol4014552","","","0.71073","MoKα","","0.0682","0.0468","","","0.117","0.1284","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512181","10.1818","0.0009","10.1888","0.0009","16.6826","0.0014","83.565","0.002","88.407","0.002","64.827","0.002","1556","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Br O5 P -","- C34 H32 Br O5 P -","- C68 H64 Br2 O10 P2 -","2","1","","Wang, Peng; Liao, Saihu; Zhu, Jian-Bo; Tang, Yong","Iron-Catalyzed Three-Component Reaction: Multiple C‒C Bond Cleavages and Reorganizations","Organic Letters","2013","15","14","3606","","10.1021/ol4014552","","","0.71073","MoKα","","0.0577","0.043","","","0.1081","0.1153","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512182","8.4778","0.0018","17.232","0.004","15.832","0.003","90","","102.571","0.006","90","","2257.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","","Li, Deng Yuan; Shang, Xue Song; Chen, Guo Rong; Liu, Pei Nian","Solvent-switched benzylic methylene functionalization: addition, ring-opening, cyclization, and unexpected cleavage of C-o and C-C bonds.","Organic letters","2013","15","15","3848","3851","10.1021/ol401470y","","","0.71073","MoKα","","0.1472","0.0974","","","0.2471","0.2861","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512183","9.3974","0.001","16.1269","0.0018","11.7851","0.0013","90","","113.249","0.002","90","","1641","0.3","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Li, Deng Yuan; Shang, Xue Song; Chen, Guo Rong; Liu, Pei Nian","Solvent-switched benzylic methylene functionalization: addition, ring-opening, cyclization, and unexpected cleavage of C-o and C-C bonds.","Organic letters","2013","15","15","3848","3851","10.1021/ol401470y","","","0.71073","MoKα","","0.06","0.0445","","","0.1179","0.1288","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512184","10.4508","0.0014","7.793","0.0007","16.9387","0.0019","90","","96.332","0.007","90","","1371.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C64 H72 N8 O8 -","2","1","","Caumes, Cécile; Fernandes, Carlos; Roy, Olivier; Hjelmgaard, Thomas; Wenger, Emmanuel; Didierjean, Claude; Taillefumier, Claude; Faure, Sophie","Cyclic α,β-Tetrapeptoids: Sequence-Dependent Cyclization and Conformational Preference","Organic Letters","2013","15","14","3626","","10.1021/ol401478j","","x-ray","0.71073","MoKα","","0.0604","0.0474","","","0.0913","0.0989","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512185","12.8289","0.0011","13.0818","0.0012","22.538","0.002","90","","90","","90","","3782.4","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C168 H144 B4 Cl8 F16 O12 P8 Rh4 -","4","1","","Fernández-Pérez, Héctor; Benet-Buchholz, J; Vidal-Ferran, Anton","Small Bite-Angle P-OP Ligands for Asymmetric Hydroformylation and Hydrogenation.","Organic letters","2013","15","14","3634","3637","10.1021/ol401494x","","","0.71073","MoKα","","0.0576","0.0424","","","0.1035","0.1129","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512186","10.657","0.0012","16.6458","0.0019","22.554","0.003","90","","90","","90","","4001","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C168 H144 B4 Cl8 F16 O12 P8 Rh4 -","4","1","","Fernández-Pérez, Héctor; Benet-Buchholz, J; Vidal-Ferran, Anton","Small Bite-Angle P-OP Ligands for Asymmetric Hydroformylation and Hydrogenation.","Organic letters","2013","15","14","3634","3637","10.1021/ol401494x","","","0.71073","MoKα","","0.0794","0.0739","","","0.207","0.2131","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512187","10.757","0.002","8.4756","0.0017","19.34","0.004","90","","94.11","0.004","90","","1758.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrahydroquinolin-1-ium 4-benzylidene-2-hydroxy-2-methyl-5-oxo-1,3,2-dioxaborolan-2-uide","","- C20 H24 B N O3 -","- C19 H22 B N O4 -","- C76 H88 B4 N4 O16 -","4","1","","Yamashita, Risa; Sakakura, Akira; Ishihara, Kazuaki","Primary Alkylboronic Acids as Highly Active Catalysts for the Dehydrative Amide Condensation of α-Hydroxycarboxylic Acids","Organic Letters","2013","15","14","3654","","10.1021/ol401537f","","","0.71073","MoKα","","0.0704","0.0608","","","0.1872","0.1993","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512188","11.4703","0.0002","11.1191","0.0002","19.4805","0.0003","90","","97.1691","0.0013","90","","2465.11","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O8 -","- C27 H34 O8 -","- C108 H136 O32 -","4","2","","Li, Jun; Li, Min-Yi; Bruhn, Torsten; Katele, Félix Zongwe; Xiao, Qiang; Pedpradab, Patchara; Wu, Jun; Bringmann, Gerhard","Thaixylomolins A‒C: Limonoids Featuring Two New Motifs from the ThaiXylocarpus moluccensis","Organic Letters","2013","15","14","3682","","10.1021/ol401556m","","","1.54184","CuKα","","0.0379","0.0361","","","0.0939","0.096","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512189","9.829","0.0012","19.271","0.002","10.0453","0.0012","90","","106.62","0.012","90","","1823.2","0.4","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H13 F4 N O4 S -","- C18 H13 F4 N O4 S -","- C72 H52 F16 N4 O16 S4 -","4","2","","Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele","Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams","Organic Letters","2013","15","14","3686","","10.1021/ol401557v","","","0.71073","MoKα","","0.0479","0.0364","","","0.0704","0.0735","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512190","11.7377","0.0002","15.1357","0.0003","16.2481","0.0003","90","","90","","90","","2886.61","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cl P2 Pd -","- C34 H31 Cl P2 Pd -","- C136 H124 Cl4 P8 Pd4 -","4","1","","Ding, Boqiang; Zhang, Zhenfeng; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","Chemoselective Transfer Hydrogenation of α,β-Unsaturated Ketones Catalyzed by Pincer-Pd Complexes Using Alcohol as a Hydrogen Source","Organic Letters","2013","15","14","3690","","10.1021/ol401560q","","","0.71073","MoKα","","0.0366","0.0286","","","0.0579","0.0689","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512191","15.6441","0.0008","11.9037","0.0004","20.3524","0.0011","90","","111.491","0.006","90","","3526.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl3 O2 P2 Pd -","- C37 H35 Cl3 O2 P2 Pd -","- C148 H140 Cl12 O8 P8 Pd4 -","4","1","","Ding, Boqiang; Zhang, Zhenfeng; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","Chemoselective Transfer Hydrogenation of α,β-Unsaturated Ketones Catalyzed by Pincer-Pd Complexes Using Alcohol as a Hydrogen Source","Organic Letters","2013","15","14","3690","","10.1021/ol401560q","","","0.71073","MoKα","","0.0547","0.0387","","","0.0927","0.1046","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512192","11.6014","0.0004","10.6333","0.0004","12.4013","0.0004","90","","100.891","0.002","90","","1502.28","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 O2 -","- C19 H12 N2 O2 -","- C76 H48 N8 O8 -","4","1","","Yu, Songjie; Wan, Boshun; Li, Xingwei","Rhodium(III)-Catalyzed C‒H Activation and Amidation of Arenes UsingN-Arenesulfonated Imides as Amidating Reagents","Organic Letters","2013","15","14","3706","","10.1021/ol401569u","","","0.71073","MoKα","","0.0529","0.0355","","","0.0964","0.1064","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512193","8.1947","0.0015","14.384","0.003","18.795","0.003","90","","90.963","0.009","90","","2215.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(benzenesulfonyl)-2-(4-chloro-2-nitrophenyl)-4-hydroxy-9H-carbazole-3-carbaldehyde","","- C25 H15 Cl N2 O6 S -","- C25 H15 Cl N2 O6 S -","- C100 H60 Cl4 N8 O24 S4 -","4","1","","Ramalingam, Bose Muthu; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Synthesis of Calothrixins and Its Analogs Using FeCl3-Mediated Domino Reaction Protocol","Organic Letters","2013","15","14","3726","","10.1021/ol4015738","","","0.71073","MoKα","","0.0786","0.0534","","","0.1468","0.1721","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512194","11.627","0.002","12.127","0.002","14.846","0.003","90","","90","","90","","2093.3","0.7","263","","263","","","","","","","","Chemical Synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position","Organic Letters","2013","15","14","3718","","10.1021/ol4015865","","","1.5418","CuKα","","0.0408","0.039","","0.1006","0.0986","0.1006","","","","","","0.9072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512195","6.2382","0.0006","13.1872","0.0011","15.828","0.0014","90","","92.814","0.007","90","","1300.5","0.2","263","","263","","","","","","","","Chemical Synthesis","4","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C58 H62 N6 O12 -","2","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position","Organic Letters","2013","15","14","3718","","10.1021/ol4015865","","","1.5418","CuKα","","0.0472","0.0447","","0.1201","0.1182","0.1201","","","","","","0.9847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512196","15.3838","0.0003","14.0397","0.0004","10.9931","0.0003","90","","90","","90","","2374.33","0.1","263","","263","","","","","","","","Chemical Synthesis","4","P 21 21 2","P 2 2ab","18","","","","- C23 H30 N3 O9 -","- C23 H30 N3 O9 -","- C92 H120 N12 O36 -","4","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position","Organic Letters","2013","15","14","3718","","10.1021/ol4015865","","","1.5418","CuKα","","0.0609","0.0547","","0.1559","0.1539","0.1559","","","","","","1.1331","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512197","9.293","0.0002","17.248","0.0005","9.729","0.0002","90","","94.173","0.001","90","","1555.29","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Garland, Keira; Gan, Wei; Depatie-Sicard, Charlotte; Beauchemin, Andr","A Practical Approach to Semicarbazone and Hydrazone Derivatives via Imino-isocyanates.","Organic letters","2013","15","16","4074","4077","10.1021/ol4016089","","","0.71073","MoKα","","0.0768","0.0499","","","0.1134","0.1261","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512198","13.1393","0.0016","9.7705","0.0012","27.212","0.003","90","","110.152","0.005","90","","3279.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C160 H144 O24 -","8","2","","Chen, Bo; Ma, Shengming","Tandem Michael addition/cyclization reaction of 2,3-allenoates with organozincs: facile synthesis of isocoumarins.","Organic letters","2013","15","15","3884","3887","10.1021/ol401625t","","","0.71073","MoKα","","0.0638","0.041","","","0.1045","0.1216","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512199","9.679","0.0007","11.8883","0.0008","22.4824","0.0016","90","","90","","90","","2587","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N2 O7 S -","- C26 H22 Cl2 N2 O7 S -","- C104 H88 Cl8 N8 O28 S4 -","4","1","","Zhang, Yong-Qiang; Yuan, Yong-An; Liu, Guan-Sai; Xu, Hao","Iron(II)-Catalyzed Asymmetric Intramolecular Aminohydroxylation of Indoles.","Organic letters","2013","15","15","3910","3913","10.1021/ol401666e","","","0.71073","MoKα","","0.0572","0.0482","","","0.1153","0.1218","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512200","9.622","0.0013","18.082","0.002","19.975","0.003","90","","90","","90","","3475.4","0.8","172.3","","172.3","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 Cl5 N3 O7 S -","- C33 H26 Cl5 N3 O7 S -","- C132 H104 Cl20 N12 O28 S4 -","4","1","","Zhang, Yong-Qiang; Yuan, Yong-An; Liu, Guan-Sai; Xu, Hao","Iron(II)-Catalyzed Asymmetric Intramolecular Aminohydroxylation of Indoles.","Organic letters","2013","15","15","3910","3913","10.1021/ol401666e","","","0.71073","MoKα","","0.0706","0.0561","","","0.1352","0.1451","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512201","7.366","0.0012","16.75","0.003","17.108","0.003","64.891","0.004","81.409","0.004","78.963","0.004","1870.5","0.6","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H29 Cl3 N4 -","- C47 H29 Cl3 N4 -","- C94 H58 Cl6 N8 -","2","1","","Nanjo, Takeshi; Yamamoto, Sho; Tsukano, Chihiro; Takemoto, Yoshiji","Synthesis of 3-Acyl-2-arylindole via Palladium-catalyzed Isocyanide Insertion and Oxypalladation of Alkyne","Organic Letters","2013","15","14","3754","","10.1021/ol4016699","","","0.71075","MoKα","","","0.0838","","","","0.2326","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512202","8.665","0.001","6.883","0.004","21.851","0.003","90","","96.68","0.01","90","","1294.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl-7-fluoro-1,4-dihydro-1-(2-iodoethyl)-4-oxoquinoline-3-carboxylate","","- C13 H11 F I N O3 -","- C13 H11 F I N O3 -","- C52 H44 F4 I4 N4 O12 -","4","1","","Pretali, Luca; Dondi, Daniele; D'Angelantonio, Mila; Manet, Ilse; Fasani, Elisa; Monti, Sandra; Bovio, Bruna; Albini, Angelo","A Fluorine 1,2-Migration via Aryl Cation/Radical/Radical Anion/Radical Sequence.","Organic letters","2013","15","15","3926","3929","10.1021/ol401670p","","","0.710738","MoKα","","","","","","","","","","","","","1.151","","","","has coordinates","288073","2023-12-06","14:02:23",""
"1512203","12.798","0.003","14.387","0.003","7.154","0.007","90","","98.78","0.05","90","","1301.8","1.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Methyl-1-ethyl-7-fluoro-8-iodo-4-oxa-1,4-dihydroquinoline-3-carboxylate","","- C13 H11 F I N O3 -","- C13 H11 F I N O3 -","- C52 H44 F4 I4 N4 O12 -","4","1","","Pretali, Luca; Dondi, Daniele; D'Angelantonio, Mila; Manet, Ilse; Fasani, Elisa; Monti, Sandra; Bovio, Bruna; Albini, Angelo","A Fluorine 1,2-Migration via Aryl Cation/Radical/Radical Anion/Radical Sequence.","Organic letters","2013","15","15","3926","3929","10.1021/ol401670p","","","0.710738","MoKα","","","","","","","","","","","","","0.847","","","","has coordinates","288073","2023-12-06","14:02:31",""
"1512204","20.55","0.004","6.89","0.006","17.53","0.004","90","","106.8","0.02","90","","2376","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl-1-ethyl-7,8-difluoro-oxa-1,4-dihydroquinoline-3-carboxylate","","- C13 H11 F2 N O3 -","- C13 H11 F2 N O3 -","- C104 H88 F16 N8 O24 -","8","1","","Pretali, Luca; Dondi, Daniele; D'Angelantonio, Mila; Manet, Ilse; Fasani, Elisa; Monti, Sandra; Bovio, Bruna; Albini, Angelo","A Fluorine 1,2-Migration via Aryl Cation/Radical/Radical Anion/Radical Sequence.","Organic letters","2013","15","15","3926","3929","10.1021/ol401670p","","","0.710738","MoKα","","0.1664","0.069","","","0.1643","0.2209","","","","","","0.992","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512205","15.5356","0.0008","11.3553","0.0006","16.514","0.0007","90","","100.571","0.002","90","","2863.8","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N4 -","- C36 H34 N4 -","- C144 H136 N16 -","4","1","","Dange, Nitin S.; Hong, Bor-Cherng; Lee, Chih-Ching; Lee, Gene-Hsiang","One-Pot Asymmetric Synthesis of Seven-Membered Carbocycles Cyclohepta[b]indoles via a Sequential Organocatalytic Michael/Double Friedel-Crafts Alkylation Reaction.","Organic letters","2013","15","15","3914","3917","10.1021/ol4016749","","","0.71073","MoKα","","0.1156","0.0662","","","0.1793","0.2027","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512206","12.0729","0.0006","9.5122","0.0005","13.6363","0.0007","90","","109.831","0.0011","90","","1473.13","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 Br Cl2 N4 -","- C34 H31 Br Cl2 N4 -","- C68 H62 Br2 Cl4 N8 -","2","1","","Dange, Nitin S.; Hong, Bor-Cherng; Lee, Chih-Ching; Lee, Gene-Hsiang","One-Pot Asymmetric Synthesis of Seven-Membered Carbocycles Cyclohepta[b]indoles via a Sequential Organocatalytic Michael/Double Friedel-Crafts Alkylation Reaction.","Organic letters","2013","15","15","3914","3917","10.1021/ol4016749","","","0.71073","MoKα","","0.0502","0.0445","","","0.1056","0.1096","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512207","24.5096","0.0014","12.7187","0.0007","21.1911","0.0012","90","","118.298","0.0012","90","","5816.5","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H30 Br Cl N4 -","- C33.5 H30 Br Cl N4 -","- C268 H240 Br8 Cl8 N32 -","8","1","","Dange, Nitin S.; Hong, Bor-Cherng; Lee, Chih-Ching; Lee, Gene-Hsiang","One-Pot Asymmetric Synthesis of Seven-Membered Carbocycles Cyclohepta[b]indoles via a Sequential Organocatalytic Michael/Double Friedel-Crafts Alkylation Reaction.","Organic letters","2013","15","15","3914","3917","10.1021/ol4016749","","","0.71073","MoKα","","0.1058","0.0741","","","0.1724","0.1905","","","","","","1.042","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512208","22.827","0.002","4.0137","0.0004","13.1725","0.0012","90","","90","","90","","1206.87","0.19","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Rout, Saroj Kumar; Guin, Srimanta; Banerjee, Arghya; Khatun, Nilufa; Gogoi, Anupal; Patel, Bhisma K.","Directing group assisted copper-catalyzed chemoselective o-aroylation of phenols and enols using alkylbenzenes.","Organic letters","2013","15","16","4106","4109","10.1021/ol401682a","","","0.71073","MoKα","","0.0495","0.0418","","","0.1201","0.1287","","","","","","0.979","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512209","10.1571","0.0003","13.275","0.0003","17.2305","0.0004","111.326","0.002","91.833","0.002","100.944","0.002","2111.84","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N3 O2 S -","- C24 H25 N3 O2 S -","- C96 H100 N12 O8 S4 -","4","2","","Pujari, Sandip A.; Guénée, Laure; Lacour, Jérôme","Efficient Synthesis of Imino-methano Tröger Bases by Nitrene Insertions into C-N Bonds.","Organic letters","2013","15","15","3930","3933","10.1021/ol4016892","","","1.54184","CuKα","","0.041","0.0378","","","0.102","0.1049","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512210","14.3235","0.0006","12.319","0.0005","13.1555","0.0006","90","","108.918","0.005","90","","2195.92","0.18","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N4 O5 S -","- C23 H22 N4 O5 S -","- C92 H88 N16 O20 S4 -","4","1","","Pujari, Sandip A.; Guénée, Laure; Lacour, Jérôme","Efficient Synthesis of Imino-methano Tröger Bases by Nitrene Insertions into C-N Bonds.","Organic letters","2013","15","15","3930","3933","10.1021/ol4016892","","","0.71073","MoKα","","0.0568","0.0421","","","0.0972","0.1077","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512211","11.01618","0.00013","27.3276","0.0003","8.12476","0.0001","90","","105.105","0.0012","90","","2361.42","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N3 O2 S -","- C26 H29 N3 O2 S -","- C104 H116 N12 O8 S4 -","4","1","","Pujari, Sandip A.; Guénée, Laure; Lacour, Jérôme","Efficient Synthesis of Imino-methano Tröger Bases by Nitrene Insertions into C-N Bonds.","Organic letters","2013","15","15","3930","3933","10.1021/ol4016892","","","1.54184","CuKα","","0.0365","0.0343","","","0.0964","0.0985","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512212","14.603","0.0007","19.3678","0.0005","7.3303","0.0004","90","","127.998","0.008","90","","1633.8","0.2","110","0.1","110","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Schröder, Sybrin P; Taylor, Nicholas J.; Jackson, Paula; Franckevičius, Vilius","Catalytic decarboxylative alkenylation of enolates.","Organic letters","2013","15","14","3778","3781","10.1021/ol401729m","","","0.7107","MoKα","","0.0518","0.0425","","","0.0967","0.1026","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512213","9.0316","0.0002","10.4052","0.0002","10.9083","0.0003","99.955","0.001","97.189","0.001","97.411","0.001","989.77","0.04","172.3","","172.3","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Bonderoff, Sara A.; Padwa, Albert","Rh(II)-Catalyzed Reactions of Differentially Substituted Bis(diazo) Functionalities.","Organic letters","2013","15","16","4114","4117","10.1021/ol4017468","","","0.71073","MoKα","","0.0535","0.0466","","","0.1265","0.1355","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512214","16.62503","0.00015","17.42571","0.00016","94.3127","0.001","90","","90","","90","","27322.7","0.5","123","0.1","123","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C103 H144 Cl28 N24 O12 -","- C103 H144 Cl28 N24 O12 -","- C824 H1152 Cl224 N192 O96 -","8","1","","Aav, Riina; Shmatova, Elena; Reile, Indrek; Borissova, Maria; Topić, Filip; Rissanen, Kari","New Chiral Cyclohexylhemicucurbit[6]uril","Organic Letters","2013","15","14","3786","","10.1021/ol401766a","","","1.54184","CuKα","","0.0897","0.0847","","","0.2134","0.2162","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512215","19.412","0.003","9.325","0.001","12.312","0.002","90","","105.25","0.05","90","","2150.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela","Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations.","Organic letters","2013","15","15","4002","4005","10.1021/ol401798w","","","0.7107","MoKα","","0.0834","0.0567","","","0.1508","0.1721","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512216","9.1775","0.0001","16.572","0.0003","33.404","0.002","90","","90","","90","","5080.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C240 H216 N8 O32 -","8","1","","Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela","Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations.","Organic letters","2013","15","15","4002","4005","10.1021/ol401798w","","","1.54187","CuKα","","0.0563","0.0451","","","0.1177","0.1381","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512217","7.9286","0.0005","18.8445","0.0012","15.5568","0.0008","90","","102.925","0.003","90","","2265.5","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 S -","- C26 H22 N2 O4 S -","- C104 H88 N8 O16 S4 -","4","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0823","0.0684","","","0.1802","0.1949","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512218","13.6408","0.0009","14.9052","0.001","25.8964","0.0017","87.933","0.003","76.792","0.004","72.673","0.003","4890.4","0.6","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C107 H91 N8 O17 S4 -","- C107 H91 N8 O17 S4 -","- C214 H182 N16 O34 S8 -","2","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.1028","0.0705","","","0.1802","0.2001","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512219","14.115","0.004","14.187","0.004","14.479","0.004","119.153","0.009","92.756","0.011","113.314","0.009","2218","1.1","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C46 H32 Cl6 N4 O6 S2 -","- C46 H32 Cl6 N4 O6 S2 -","- C92 H64 Cl12 N8 O12 S4 -","2","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0468","0.0342","","","0.0828","0.0905","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512220","13.035","0.0016","13.4262","0.0017","15.559","0.0019","79.862","0.005","75.575","0.005","88.295","0.005","2595.7","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C50 H36 Cl6 N4 O10 S2 -","- C50 H36 Cl6 N4 O10 S2 -","- C100 H72 Cl12 N8 O20 S4 -","2","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0613","0.0442","","","0.1285","0.1397","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512221","14.1033","0.001","10.586","0.0009","20.4253","0.0017","90","","94.889","0.004","90","","3038.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cl2 N2 O2 -","- C16 H12 Cl2 N2 O2 -","- C128 H96 Cl16 N16 O16 -","8","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0636","0.0395","","","0.0965","0.1085","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512222","16.173","0.004","11.469","0.002","17.766","0.003","90","","90","","90","","3295.4","1.1","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C128 H112 Cl16 N16 O16 -","8","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.1475","0.0548","","","0.1184","0.1515","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512223","11.5935","0.0008","7.686","0.0005","19.0936","0.0015","90","","127.088","0.002","90","","1357.21","0.17","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N2 O2 S -","- C16 H10 N2 O2 S -","- C64 H40 N8 O8 S4 -","4","0.5","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0609","0.0543","","","0.1761","0.1784","","","","","","1.418","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512224","14.9276","0.0008","7.5419","0.0004","18.8462","0.001","90","","108.512","0.001","90","","2011.97","0.19","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H38 F6 Fe N2 O P2 S -","- C45 H38 F6 Fe N2 O P2 S -","- C90 H76 F12 Fe2 N4 O2 P4 S2 -","2","1","","Zhao, Qingyang; Li, Shengkun; Huang, Kexuan; Wang, Rui; Zhang, Xumu","A Novel Chiral Bisphosphine-Thiourea Ligand for Asymmetric Hydrogenation of β,β-Disubstituted Nitroalkenes.","Organic letters","2013","15","15","4014","4017","10.1021/ol401816y","","","0.71073","MoKα","","0.0653","0.0558","","","0.1176","0.1227","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512225","10.243","0.002","11.793","0.003","11.837","0.003","78.405","0.004","68.083","0.004","66.765","0.004","1216.5","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Br F N2 O2 S -","- C29 H22 Br F N2 O2 S -","- C58 H44 Br2 F2 N4 O4 S2 -","2","1","","Zhu, Yu; Lu, Wen-Ting; Sun, Hong-Chao; Zhan, Zhuang-Ping","Lewis Base Catalyzed Synthesis of Multisubstituted 4-Sulfonyl-1H-Pyrazole Involving a Novel 1,3-Sulfonyl Shift.","Organic letters","2013","15","16","4146","4149","10.1021/ol401818m","","","0.71073","MoKα","","0.0454","0.039","","","0.1134","0.1163","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512226","10.1413","0.0001","8.5445","0.0001","10.7861","0.0007","90","","105.649","0.007","90","","900","0.07","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 S -","- C18 H30 O5 S -","- C36 H60 O10 S2 -","2","1","","Huang, Jun; Fang, Lichao; Long, Rong; Shi, Li-Li; Shen, Hong-Juan; Li, Chuang-Chuang; Yang, Zhen","Asymmetric Total Synthesis of (+)-Fusarisetin A via the Intramolecular Pauson-Khand Reaction.","Organic letters","2013","15","15","4018","4021","10.1021/ol401831w","","","1.54187","CuKα","","0.0324","0.0293","","","0.069","0.0712","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512227","14.738","0.003","20.322","0.004","8.7366","0.0017","90","","93.02","0.03","90","","2613","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 -","- C33 H30 N2 -","- C132 H120 N8 -","4","1","","Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.","Organic letters","2013","15","16","4182","4185","10.1021/ol401878q","","","0.71073","MoKα","","0.2234","0.0646","","","0.1106","0.1481","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512228","9.0547","0.0018","14.315","0.003","14.612","0.003","104.88","0.03","95.42","0.03","90.83","0.03","1820.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 N4 -","- C46 H38 N4 -","- C92 H76 N8 -","2","1","","Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.","Organic letters","2013","15","16","4182","4185","10.1021/ol401878q","","","0.71073","MoKα","","0.1574","0.0529","","","0.0934","0.1127","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512229","13.3049","0.0007","13.3049","0.0007","21.044","0.002","90","","90","","90","","3725.2","0.4","180","0.1","180","0.1","","","","","","","","3","I -4","I -4","82","","","","- C42 H50 N4 -","- C42 H50 N4 -","- C168 H200 N16 -","4","0.5","","Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.","Organic letters","2013","15","16","4182","4185","10.1021/ol401878q","","","0.7107","MoKα","","0.0884","0.0708","","","0.1887","0.2086","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512230","12.6665","0.0005","13.2379","0.0006","16.9687","0.001","98.104","0.004","105.226","0.004","93.471","0.004","2703.8","0.2","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H72 Cl3 Li N4 O3 Zn2 -","- C54 H72 Cl3 Li N4 O3 Zn2 -","- C108 H144 Cl6 Li2 N8 O6 Zn4 -","2","1","","Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.","Organic letters","2013","15","16","4182","4185","10.1021/ol401878q","","","0.7107","MoKα","","0.0572","0.0416","","","0.1009","0.1117","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512231","9.513","0.005","18.292","0.005","9.488","0.005","90","0.005","90","0.005","90","0.005","1651","1.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Li, Mengru; Lin, Shaoxia; Dong, Zhiyong; Zhang, Xintong; Liang, Fushun; Zhang, Jingping","Organocatalyzed anion relay leading to functionalized 2,3-dihydrofurans.","Organic letters","2013","15","15","3978","3981","10.1021/ol401881n","","","0.71069","MoKα","","0.065","0.0416","","","0.0847","0.0956","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512232","9.335","0.003","17.041","0.004","8.6","0.003","90","","116","0.04","90","","1229.6","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 S -","- C15 H14 S -","- C60 H56 S4 -","4","1","","Singh, Rahul; Raghuvanshi, Dushyant Singh; Singh, Krishna Nand","Regioselective hydrothiolation of alkynes by sulfonyl hydrazides using organic ionic base-Brønsted Acid.","Organic letters","2013","15","16","4202","4205","10.1021/ol401925u","","","0.71073","MoKα","","0.1975","0.0731","","","0.1478","0.2078","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512233","7.8181","0.0007","12.6128","0.001","21.2217","0.0018","90","","90","","90","","2092.6","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N3 O -","- C22 H35 N3 O -","- C88 H140 N12 O4 -","4","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0435","0.0336","","","0.0787","0.0838","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512234","10.8005","0.001","18.9134","0.0018","11.8008","0.0011","90","","111.678","0.005","90","","2240.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N3 O2 -","- C23 H37 N3 O2 -","- C92 H148 N12 O8 -","4","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0618","0.0441","","","0.1141","0.1257","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512235","11.0384","0.0004","10.4162","0.0003","20.8009","0.0007","90","","92.418","0.002","90","","2389.52","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N3 O -","- C26 H37 N3 O -","- C104 H148 N12 O4 -","4","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0769","0.0494","","","0.1208","0.1356","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512236","10.2819","0.0004","14.7015","0.0006","19.599","0.0008","90","","90","","90","","2962.6","0.2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Pd -","- C18 H24 Pd -","- C144 H192 Pd8 -","8","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0209","0.0178","","","0.0453","0.0469","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512237","9.6209","0.0009","7.1606","0.0005","13.1936","0.0006","90","","94.002","0.006","90","","906.71","0.11","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C40 H38 Br2 N4 O2 -","2","1","","He, Ying; Kang, Tai-Ran; Liu, Quan-Zhong; Chen, Lian-Mei; Tu, Yi-Lian; Liu, Ya-Jun; Chen, Tang-Bin; Wang, Zhi-Qiang; Liu, Jie; Xie, Yong-Mei; Yang, Jin-Liang; He, Long","One-pot synthesis of optically enriched 2-piperidinones from aliphatic aldehydes and cyanoacrylamides.","Organic letters","2013","15","16","4054","4057","10.1021/ol401951g","","","0.71073","MoKα","","0.0747","0.041","","","0.072","0.0838","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512238","18.969","0.005","13.405","0.003","10.267","0.003","90","","95.745","0.008","90","","2597.6","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N4 -","- C30 H32 N4 -","- C120 H128 N16 -","4","1","","Wang, Xiang; Xu, Xiao-Ping; Wang, Shun-Yi; Zhou, Weiqun; Ji, Shun-Jun","Highly Efficient Chemoselective Synthesis of Polysubstituted Pyrroles via Isocyanide-Based Multicomponent Domino Reaction.","Organic letters","2013","15","16","4246","4249","10.1021/ol401976w","","","0.7107","MoKα","","0.0934","0.0722","","","0.1566","0.1705","","","","","","0.989","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512239","11.1006","0.0007","9.0852","0.0006","12.0402","0.0007","90","","90.869","0.001","90","","1214.13","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl O -","- C15 H13 Cl O -","- C60 H52 Cl4 O4 -","4","1","","Kawade, Rahul Kisan; Liu, Rai-Shung","Gold-Catalyzed Oxidative Cyclization of 4-Allenyl-1-ynes with 8-Methylquinoline Oxide.","Organic letters","2013","15","16","4094","4097","10.1021/ol4020199","","","0.71073","MoKα","","0.0419","0.0322","","","0.0793","0.0846","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512240","7.1859","0.0013","28.69","0.005","15.074","0.003","90","","110.274","0.008","90","","2915.2","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C144 H120 N24 O12 -","12","3","","Zheng, Qing-Zhong; Feng, Peng; Liang, Yu-Feng; Jiao, Ning","Pd-Catalyzed Tandem C-H Azidation and N-N Bond Formation of Arylpyridines: A Direct Approach to Pyrido[1,2-b]indazoles.","Organic letters","2013","15","16","4262","4265","10.1021/ol402060q","","","0.71073","MoKα","","0.0615","0.04","","","0.0997","0.1157","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512242","10.06","0.0001","16.5507","0.0002","7.0852","0.0001","90","","105.783","0.001","90","","1135.21","0.02","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Hinkle, Robert J.; Lewis, Shane E.","Atom Economical, One-Pot, Three-Reaction Cascade to Novel Tricyclic 2,4-Dihydro-1H-benzo[f]isochromenes.","Organic letters","2013","15","16","4070","4073","10.1021/ol401600j","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512243","8.1709","0.0005","8.5167","0.0005","14.6277","0.0009","90","","90","","90","","1017.93","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O5 -","- C9 H14 N2 O5 -","- C36 H56 N8 O20 -","4","1","","de la Fuente, Alex; Martin, Ruben; Mena-Barragán, Teresa; Verdaguer, Xavier; García Fernández, José M.; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective Synthesis of 2-Acetamido-1,2-dideoxyallonojirimycin (DAJNAc), a New Potent Hexosaminidase Inhibitor","Organic Letters","2013","15","14","3638","","10.1021/ol401517x","","","0.71073","MoKα","","0.033","0.0323","","","0.0859","0.0865","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512244","9.0351","0.0005","9.8044","0.0005","11.3371","0.0006","90","","90","","90","","1004.28","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O5 -","- C9 H14 N2 O5 -","- C36 H56 N8 O20 -","4","1","","de la Fuente, Alex; Martin, Ruben; Mena-Barragán, Teresa; Verdaguer, Xavier; García Fernández, José M.; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective Synthesis of 2-Acetamido-1,2-dideoxyallonojirimycin (DAJNAc), a New Potent Hexosaminidase Inhibitor","Organic Letters","2013","15","14","3638","","10.1021/ol401517x","","","0.71073","MoKα","","0.0262","0.0257","","","0.0684","0.0689","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512245","8.1261","0.0012","13.397","0.002","15.041","0.002","70.552","0.012","81.121","0.011","89.26","0.013","1524.2","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 O2 S4 -","- C38 H24 O2 S4 -","- C76 H48 O4 S8 -","2","1","","Bouit, Pierre-Antoine; Infantes, Lourdes; Calbo, Joaquín; Viruela, Rafael; Ortí, Enrique; Delgado, Juan Luis; Martín, Nazario","Efficient Light Harvesters Based on the 10-(1,3-Dithiol-2-ylidene)anthracene Core","Organic Letters","2013","15","16","4166","","10.1021/ol401841u","","","1.54178","CuKα","","0.1738","0.1046","","","0.2681","0.3158","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512246","8.311","0.0011","14.637","0.002","17.184","0.003","110.499","0.009","97.04","0.01","101.78","0.009","1873.4","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H25.22 N4 O0.61 S4 -","- C44 H24 N4 O0.61 S4 -","- C88 H48 N8 O1.22 S8 -","2","1","","Bouit, Pierre-Antoine; Infantes, Lourdes; Calbo, Joaquín; Viruela, Rafael; Ortí, Enrique; Delgado, Juan Luis; Martín, Nazario","Efficient Light Harvesters Based on the 10-(1,3-Dithiol-2-ylidene)anthracene Core","Organic Letters","2013","15","16","4166","","10.1021/ol401841u","","","1.54178","CuKα","","0.0883","0.0456","","","0.1136","0.1319","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512247","8.242","0.003","15.973","0.005","16.047","0.006","107.42","0.03","99.24","0.02","91.74","0.02","1982.6","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H24 N4 O4 S6 -","- C44 H24 N4 O4 S6 -","- C88 H48 N8 O8 S12 -","2","1","","Bouit, Pierre-Antoine; Infantes, Lourdes; Calbo, Joaquín; Viruela, Rafael; Ortí, Enrique; Delgado, Juan Luis; Martín, Nazario","Efficient Light Harvesters Based on the 10-(1,3-Dithiol-2-ylidene)anthracene Core","Organic Letters","2013","15","16","4166","","10.1021/ol401841u","","","1.54178","CuKα","","0.1697","0.0807","","","0.2245","0.2618","","","","","","0.805","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512278","9.755","0.002","7.3684","0.0015","13.584","0.003","90","","94.78","0.03","90","","973","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C46 H42 N6 O8 -","2","1","","Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun","Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.","Organic letters","2013","15","17","4300","4303","10.1021/ol4015706","","","1.54178","CuKα","","0.0363","0.0355","","","0.0949","0.0958","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512279","8.495","","14.253","","39.77","","90","","90","","90","","4815.32","","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 F6 N3 O5 -","- C25 H21 F6 N3 O5 -","- C200 H168 F48 N24 O40 -","8","2","","Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun","Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.","Organic letters","2013","15","17","4300","4303","10.1021/ol4015706","","","1.54178","CuKα","","0.0562","0.0487","","","0.1353","0.1434","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512280","12.216","0.002","7.8934","0.0016","13.14","0.003","90","","113.92","0.03","90","","1158.2","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 F6 N3 O5 -","- C25 H21 F6 N3 O5 -","- C50 H42 F12 N6 O10 -","2","1","","Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun","Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.","Organic letters","2013","15","17","4300","4303","10.1021/ol4015706","","","1.54178","CuKα","","0.0332","0.0331","","","0.0905","0.0907","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512281","21.215","0.002","10.0689","0.0009","10.6637","0.0009","90","","96.454","0.006","90","","2263.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C9 H11 B F3 N O4 -","- C9 H11 B F3 N O4 -","- C72 H88 B8 F24 N8 O32 -","8","4","","Duncton, Matthew A. J.; Singh, Rajinder","Synthesis of trans-2-(Trifluoromethyl)cyclopropanes via Suzuki Reactions with an N-Methyliminodiacetic Acid Boronate.","Organic letters","2013","15","17","4284","4287","10.1021/ol401636d","","","1.54178","CuKα","","0.0876","0.078","","","0.2116","0.2317","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512282","11.0236","0.0002","12.9544","0.0002","13.4366","0.0002","90","","90","","90","","1918.8","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br Cl3 N2 O -","- C17 H18 Br Cl3 N2 O -","- C68 H72 Br4 Cl12 N8 O4 -","4","1","","Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J.","Gold and BINOL-Phosphoric Acid Catalyzed Enantioselective Hydroamination/N-Sulfonyliminium Cyclization Cascade.","Organic letters","2013","15","17","4330","4333","10.1021/ol401784h","","","0.71073","MoKα","","0.0374","0.0341","","0.0832","0.0808","0.0832","","","","","","1.0001","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512283","10.4507","0.0001","16.2752","0.0002","11.5043","0.0001","90","","101.09","0.0005","90","","1920.19","0.03","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O2 S -","- C21 H21 Br N2 O2 S -","- C84 H84 Br4 N8 O8 S4 -","4","2","","Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J.","Gold and BINOL-Phosphoric Acid Catalyzed Enantioselective Hydroamination/N-Sulfonyliminium Cyclization Cascade.","Organic letters","2013","15","17","4330","4333","10.1021/ol401784h","","","0.71073","MoKα","","0.0325","0.0286","","0.0635","0.0616","0.0635","","","","","","0.9896","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512284","12.7926","0.0003","18.5331","0.0006","29.8781","0.001","90","","90","","90","","7083.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N5 O2 S -","- C35 H33.5 N5 O2 S -","- C280 H268 N40 O16 S8 -","8","2","","Yang, Zheng; Hao, Likai; Yin, Bing; She, Mengyao; Obst, Martin; Kappler, Andreas; Li, Jianli","Six-Membered Spirocycle Triggered Probe for Visualizing Hg(2+) in Living Cells and Bacteria-EPS-Mineral Aggregates.","Organic letters","2013","15","17","4334","4337","10.1021/ol401795m","","","1.54178","CuKα","","0.0877","0.0705","","","0.1985","0.2134","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512285","12.698","0.004","12.742","0.004","13.457","0.004","116.117","0.004","99.996","0.005","98.015","0.005","1867.1","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H68 Cl8 Hg4 N10 O4 S2 -","- C70 H68 Cl8 Hg4 N10 O4 S2 -","- C70 H68 Cl8 Hg4 N10 O4 S2 -","1","0.5","","Yang, Zheng; Hao, Likai; Yin, Bing; She, Mengyao; Obst, Martin; Kappler, Andreas; Li, Jianli","Six-Membered Spirocycle Triggered Probe for Visualizing Hg(2+) in Living Cells and Bacteria-EPS-Mineral Aggregates.","Organic letters","2013","15","17","4334","4337","10.1021/ol401795m","","","0.71073","MoKα","","0.1094","0.081","","","0.205","0.23","","","","","","1.172","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512286","6.0191","0.0005","10.9331","0.0007","13.1204","0.0008","90","","92.995","0.004","90","","862.24","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 O6 -","- C8 H10 O6 -","- C32 H40 O24 -","4","1","","Baran, Arif; Aydin, Gokay; Savran, Tahir; Sahin, Ertan; Balci, Metin","Trisequential photooxygenation reaction: application to the synthesis of carbasugars.","Organic letters","2013","15","17","4350","4353","10.1021/ol401823m","","","0.7107","MoKα","","0.0522","0.052","","","0.1309","0.131","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512287","7.7832","0.0002","7.8499","0.0002","17.0819","0.0005","90","","102.016","0.001","90","","1020.79","0.05","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 O8 -","- C8 H18 O8 -","- C32 H72 O32 -","4","1","","Baran, Arif; Aydin, Gokay; Savran, Tahir; Sahin, Ertan; Balci, Metin","Trisequential photooxygenation reaction: application to the synthesis of carbasugars.","Organic letters","2013","15","17","4350","4353","10.1021/ol401823m","","","0.71073","MoKα","","0.0343","0.033","","","0.0905","0.0918","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512288","9.8323","0.0009","27.722","0.003","29.449","0.003","90","","90","","90","","8026.9","1.4","191","2","191","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H10 N2 O S2 -","- C75 H10 N2 O S2 -","- C600 H80 N16 O8 S16 -","8","1","","Hou, Hui-Lei; Li, Zong-Jun; Li, Shu-Hui; Chen, Si; Gao, Xiang","Hydroxide-Initiated Conversion of Aromatic Nitriles to Imidazolines: Fullerenes vs TCNE","Organic Letters","2013","15","18","4646","","10.1021/ol401834j","","","0.71073","MoKα","","0.1386","0.0888","","","0.2367","0.2908","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512289","17.8362","0.0007","10.8377","0.0005","24.6817","0.0011","90","","97.891","0.001","90","","4725.9","0.4","191","2","191","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H17 N2 O S2 -","- C88 H17 N2 O S2 -","- C352 H68 N8 O4 S8 -","4","1","","Hou, Hui-Lei; Li, Zong-Jun; Li, Shu-Hui; Chen, Si; Gao, Xiang","Hydroxide-Initiated Conversion of Aromatic Nitriles to Imidazolines: Fullerenes vs TCNE","Organic Letters","2013","15","18","4646","","10.1021/ol401834j","","","0.71073","MoKα","","0.103","0.0754","","","0.2091","0.2349","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512290","17.562","0.003","10.9065","0.0016","12.1315","0.0017","90","","103.47","0.02","90","","2259.7","0.6","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Xing, Dong; Yang, Dan","Pd(II)-Catalyzed Intramolecular 1,2-Aminoalkylation of Conjugated 1,3-Dienes for the Synthesis of Pyrrolizidines.","Organic letters","2013","15","17","4370","4373","10.1021/ol401901h","","","0.71073","MoKα","","0.0862","0.0527","","","0.1346","0.1528","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512291","22.527","0.003","7.0801","0.001","13.7523","0.0018","90","","115.348","0.004","90","","1982.2","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","1","","Wang, Cheng; Wang, Dan; Gao, Shuanhu","Total synthesis of cyanthiwigins a, C, g, and h.","Organic letters","2013","15","17","4402","4405","10.1021/ol4019425","","","0.71073","MoKα","","0.0625","0.0484","","","0.1239","0.1367","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512292","7.3896","0.0007","9.5633","0.0009","11.71","0.0011","110.666","0.003","106.674","0.003","95.546","0.003","723.42","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O -","- C17 H22 O -","- C34 H44 O2 -","2","1","","Wang, Cheng; Wang, Dan; Gao, Shuanhu","Total synthesis of cyanthiwigins a, C, g, and h.","Organic letters","2013","15","17","4402","4405","10.1021/ol4019425","","","0.71073","MoKα","","0.1083","0.0693","","","0.1889","0.2243","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512293","17.3412","0.0009","17.7644","0.001","17.8268","0.0009","90","","115.702","0.002","90","","4948.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61.07 H54.94 Br2 N2 O4 -","- C61.076 H54.9428 Br2 N2 O4 -","- C244.304 H219.771 Br8 N8 O16 -","4","1","","Frischmann, Peter D.; Würthner, Frank","Synthesis of a Non-aggregating Bay-Unsubstituted Perylene Bisimide Dye with Latent Bromo Groups for C‒C Cross Coupling","Organic Letters","2013","15","18","4674","","10.1021/ol401946g","","","1.54178","CuKα","","0.0488","0.0393","","","0.0917","0.0983","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512294","10.4878","0.0009","13.5652","0.0012","18.2721","0.0015","90","","90","","90","","2599.6","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","Konno, Takashi; Watanabe, Sayo; Takahashi, Tatsuki; Tokoro, Yuichiro; Fukuzawa, Shin-Ichi","Silver/ThioClickFerrophos Complex as an Effective Catalyst for Asymmetric Conjugate Addition of Glycine Imino Ester to Unsaturated Malonates and α-Enones.","Organic letters","2013","15","17","4418","4421","10.1021/ol4019584","","","0.71075","MoKα","","","0.0552","","","","0.175","","","","","","0.834","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512295","8.678","0.0017","16.031","0.003","17.808","0.004","75.13","0.03","80.07","0.03","77.81","0.03","2322","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 F8 N8 O4 -","- C22 H12 F8 N8 O4 -","- C88 H48 F32 N32 O16 -","4","2","","Yang, Chi; Chen, Yin; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis of Electron-Deficient Oxacalix[2]arene[2]triazines and Their Isomeric Analogs from a One-Pot Reaction of Perfluorinated Dihydroxybenzenes with Dichlorotriazines.","Organic letters","2013","15","17","4414","4417","10.1021/ol401959d","","","0.71073","MoKα","","0.1611","0.1395","","","0.3594","0.3842","","","","","","2.334","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512296","7.1595","0.0014","8.7231","0.0017","9.277","0.0019","90.88","0.03","100.91","0.03","114.13","0.03","516.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","1","0.5","","Yang, Chi; Chen, Yin; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis of Electron-Deficient Oxacalix[2]arene[2]triazines and Their Isomeric Analogs from a One-Pot Reaction of Perfluorinated Dihydroxybenzenes with Dichlorotriazines.","Organic letters","2013","15","17","4414","4417","10.1021/ol401959d","","","0.71073","MoKα","","0.0531","0.0472","","","0.1158","0.1202","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512297","23.108","0.002","10.29","0.0007","15.5912","0.0014","90","","131.567","0.003","90","","2773.7","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 Cl4 F8 N6 O6 -","- C22 H10 Cl4 F8 N6 O6 -","- C88 H40 Cl16 F32 N24 O24 -","4","0.5","","Yang, Chi; Chen, Yin; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis of Electron-Deficient Oxacalix[2]arene[2]triazines and Their Isomeric Analogs from a One-Pot Reaction of Perfluorinated Dihydroxybenzenes with Dichlorotriazines.","Organic letters","2013","15","17","4414","4417","10.1021/ol401959d","","","0.71073","MoKα","","0.0564","0.056","","","0.1538","0.1543","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512298","8.3306","0.0017","13.589","0.003","19.417","0.004","92.7","0.03","94.67","0.03","97.19","0.03","2169.9","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","- C80 H24 F32 N24 O24 -","4","2","","Yang, Chi; Chen, Yin; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis of Electron-Deficient Oxacalix[2]arene[2]triazines and Their Isomeric Analogs from a One-Pot Reaction of Perfluorinated Dihydroxybenzenes with Dichlorotriazines.","Organic letters","2013","15","17","4414","4417","10.1021/ol401959d","","","1.54178","CuKα","","0.0536","0.0381","","","0.0901","0.0942","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512299","20.591","0.002","20.591","0.002","18.738","0.004","90","","90","","90","","7945","2","200","2","200","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H22 N O2.5 -","- C25 H22 N O2.5 -","- C400 H352 N16 O40 -","16","1","","Somai Magar, Krishna Bahadur; Lee, Yong Rok","Synthesis of Diverse Indene Derivatives from 1-Diazonaphthalen-2(1H)-ones via Thermal Cascade Reactions.","Organic letters","2013","15","17","4288","4291","10.1021/ol4019908","","","0.71073","MoKα","","0.1712","0.0618","","","0.1621","0.2101","","","","","","0.936","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512300","11.3028","0.0002","6.4336","0.0002","23.8826","0.0005","90","","93.676","0.001","90","","1733.11","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H56 O7 -","- C37 H56 O7 -","- C74 H112 O14 -","2","1","","Zhou, Min; Zhang, Hai-Bo; Wang, Wei-Guang; Gong, Ning-Bo; Zhan, Rui; Li, Xiao-Nian; Du, Xue; Li, Li-Mei; Li, Yan; Lu, Yang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusic Acid, a New Meroditerpenoid with a Unique Cyclobutane Ring Isolated from Isodon scoparius.","Organic letters","2013","15","17","4446","4449","10.1021/ol401991u","","","1.54178","CuKα","","0.0623","0.0527","","","0.1503","0.1608","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512301","6.819","0.003","7.317","0.005","19.999","0.01","90","","99.0959","0.001","90","","985.3","0.9","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H36 O4 -","- C21 H36 O4 -","- C42 H72 O8 -","2","1","","Zhou, Min; Zhang, Hai-Bo; Wang, Wei-Guang; Gong, Ning-Bo; Zhan, Rui; Li, Xiao-Nian; Du, Xue; Li, Li-Mei; Li, Yan; Lu, Yang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusic Acid, a New Meroditerpenoid with a Unique Cyclobutane Ring Isolated from Isodon scoparius.","Organic letters","2013","15","17","4446","4449","10.1021/ol401991u","","","1.54178","CuKα","","0.0536","0.0463","","","0.1245","0.1319","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512302","9.308","0.002","11.131","0.002","17.312","0.004","90","","103.927","0.003","90","","1740.9","0.6","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 O P -","- C22 H17 O P -","- C88 H68 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.047","0.0395","","","0.0914","0.0961","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512303","6.3504","0.0002","7.9511","0.0003","35.8818","0.0012","90","","94.457","0.002","90","","1806.29","0.11","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl O P -","- C22 H16 Cl O P -","- C88 H64 Cl4 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.041","0.0381","","","0.0956","0.0978","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512304","8.3951","0.0013","8.9874","0.0013","25.691","0.004","90","","94.065","0.003","90","","1933.5","0.5","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 O P -","- C26 H19 O P -","- C104 H76 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.0383","0.0368","","","0.0917","0.0929","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512305","7.9918","0.0008","18.1517","0.0017","11.7749","0.0012","90","","96.361","0.001","90","","1697.6","0.3","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 O P -","- C22 H15 O P -","- C88 H60 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.0367","0.034","","","0.0929","0.0948","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512306","9.961","0.002","8.7326","0.0017","21.055","0.004","90","","102.507","0.003","90","","1788","0.6","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl O P -","- C22 H14 Cl O P -","- C88 H56 Cl4 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.0371","0.0344","","","0.0912","0.0931","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512307","9.949","0.0004","25.4328","0.001","9.7167","0.0004","90","","96.727","0.004","90","","2441.7","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Leung, Man-kit; Hsieh, Yu-Hsuan; Kuo, Ting-Yi; Chou, Pi-Tai; Lee, Jiun-Haw; Chiu, Tien-Lung; Chen, Hsin-Jen","Novel Ambipolar Orthogonal Donor‒Acceptor Host for Blue Organic Light Emitting Diodes","Organic Letters","2013","15","18","4694","","10.1021/ol402001v","","","0.71073","MoKα","","0.058","0.0435","","","0.1061","0.117","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512308","9.2561","0.0007","12.3803","0.001","16.0866","0.0012","105.134","0.007","96.161","0.006","100.791","0.007","1724.1","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H31 N5 O -","- C44 H31 N5 O -","- C88 H62 N10 O2 -","2","1","","Leung, Man-kit; Hsieh, Yu-Hsuan; Kuo, Ting-Yi; Chou, Pi-Tai; Lee, Jiun-Haw; Chiu, Tien-Lung; Chen, Hsin-Jen","Novel Ambipolar Orthogonal Donor‒Acceptor Host for Blue Organic Light Emitting Diodes","Organic Letters","2013","15","18","4694","","10.1021/ol402001v","","","1.54178","CuKα","","0.1231","0.0814","","","0.2423","0.2848","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512309","22.3172","0.0009","27.4649","0.0009","15.9655","0.0009","90","","90","","90","","9785.9","0.8","295","2","295","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C44 H29 N5 -","- C44 H29 N5 -","- C528 H348 N60 -","12","","","Leung, Man-kit; Hsieh, Yu-Hsuan; Kuo, Ting-Yi; Chou, Pi-Tai; Lee, Jiun-Haw; Chiu, Tien-Lung; Chen, Hsin-Jen","Novel Ambipolar Orthogonal Donor‒Acceptor Host for Blue Organic Light Emitting Diodes","Organic Letters","2013","15","18","4694","","10.1021/ol402001v","","","1.54178","CuKα","","0.0405","0.0367","","","0.0981","0.1029","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512310","12.968","0.0004","13.2685","0.0004","19.4117","0.0006","105.621","0.0014","98.5106","0.0015","97.0837","0.0015","3134.27","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","LiC60CpHTFPB","[LiC60(C5H6)][B(C6H3(CF3)2)4]","","- C97 H18 B F24 Li -","- C97 H18 B F24 Li -","- C194 H36 B2 F48 Li2 -","2","1","","Kawakami, Hiroki; Okada, Hiroshi; Matsuo, Yutaka","Efficient diels-alder addition of cyclopentadiene to lithium ion encapsulated [60]fullerene.","Organic letters","2013","15","17","4466","4469","10.1021/ol4020046","","","1.54187","CuKα","","0.1844","0.0856","","","0.1959","0.2647","","","","","","1.243","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512311","10.65","0.002","11.278","0.002","8.8291","0.0018","90","","104.88","0.03","90","","1024.9","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","0.5","","Labarre-Lainé, Jessica; Beniazza, Redouane; Desvergnes, Valérie; Landais, Yannick","Convergent Access to Bis-spiroacetals through a Sila-Stetter‒Ketalization Cascade","Organic Letters","2013","15","18","4706","","10.1021/ol402017x","","","1.54178","CuKα","","0.1099","0.0892","","","0.2656","0.3184","","","","","","1.378","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512312","12.203","0.0003","15.6497","0.0003","14.7753","0.0003","90","","100.794","0.002","90","","2771.76","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Br N O6 -","- C29 H30 Br N O6 -","- C116 H120 Br4 N4 O24 -","4","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Krishna, Patoju M.","Stereoselective Synthesis of Five-Membered Spirooxindoles through Tomita Zipper Cyclization.","Organic letters","2013","15","18","4714","4717","10.1021/ol4020305","","","1.54184","CuKα","","0.095","0.0901","","","0.2342","0.239","","","","","","1.732","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512313","7.5903","0.0005","10.1053","0.0007","13.3797","0.0009","82.92","0.006","86.494","0.005","82.129","0.006","1007.81","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15.59 Cl N3 O3 -","- C23 H15.59 Cl N3 O3 -","- C46 H31.18 Cl2 N6 O6 -","2","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Krishna, Patoju M.","Stereoselective Synthesis of Five-Membered Spirooxindoles through Tomita Zipper Cyclization.","Organic letters","2013","15","18","4714","4717","10.1021/ol4020305","","","1.54184","CuKα","","0.0757","0.0695","","","0.1873","0.196","","","","","","0.704","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512314","6.504","0.0005","12.1956","0.0009","14.0644","0.0012","71.887","0.007","78.138","0.007","89.663","0.006","1035.64","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N3 O3 -","- C24 H23 N3 O3 -","- C48 H46 N6 O6 -","2","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Krishna, Patoju M.","Stereoselective Synthesis of Five-Membered Spirooxindoles through Tomita Zipper Cyclization.","Organic letters","2013","15","18","4714","4717","10.1021/ol4020305","","","1.54184","CuKα","","0.1063","0.0979","","","0.3161","0.3306","","","","","","1.457","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512315","9.1238","0.0005","9.0077","0.0005","22.5506","0.0013","90","","93.741","0.002","90","","1849.36","0.18","90","2","90.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N5 -","- C24 H17 N5 -","- C96 H68 N20 -","4","1","","Nguyen, Huy H.; Palazzo, Teresa A.; Kurth, Mark J.","Facile One-Pot Assembly of Imidazotriazolobenzodiazepines via Indium(III)-Catalyzed Multicomponent Reactions.","Organic letters","2013","15","17","4492","4495","10.1021/ol402045h","","","1.54178","CuKα","","0.0376","0.034","","","0.0929","0.1049","","","","","","1.148","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512316","12.7231","0.0006","18.9237","0.0008","19.2705","0.0008","66.042","0.004","71.703","0.004","73.615","0.004","3961.2","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H104 F12 N2 O20 P2 -","- C77 H104 F12 N2 O20 P2 -","- C154 H208 F24 N4 O40 P4 -","2","1","","Chi, Xiaodong; Xue, Min; Yao, Yong; Huang, Feihe","Redox-Responsive Complexation between a Pillar[5]arene with Mono(ethylene oxide) Substituents and Paraquat","Organic Letters","2013","15","18","4722","","10.1021/ol402048n","","","1.54184","CuKα","","0.0565","0.044","","","0.1066","0.1163","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512317","14.1091","0.0004","15.1076","0.0005","17.2194","0.0005","97.099","0.003","92.419","0.002","95.634","0.002","3619.17","0.19","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H90 O20 -","- C65 H90 O20 -","- C130 H180 O40 -","2","1","","Chi, Xiaodong; Xue, Min; Yao, Yong; Huang, Feihe","Redox-Responsive Complexation between a Pillar[5]arene with Mono(ethylene oxide) Substituents and Paraquat","Organic Letters","2013","15","18","4722","","10.1021/ol402048n","","","1.54184","CuKα","","0.1111","0.0911","","","0.273","0.3029","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512318","9.309","0.007","11.395","0.009","15.008","0.011","108.365","0.015","105.407","0.015","96.871","0.016","1420.2","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C62 H58 N2 O14 -","2","1","","Rivero, Alexandra R.; Fernández, Israel; Sierra, Miguel Ángel","Regio- and Diastereoselective Stepwise [8 + 3]-Cycloaddition Reaction between Tropone Derivatives and Donor-Acceptor Cyclopropanes.","Organic letters","2013","15","19","4928","4931","10.1021/ol4020656","","","0.71073","MoKα","","0.2354","0.0702","","","0.1409","0.1736","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512319","9.679","0.005","11.267","0.005","16.238","0.008","88.734","0.009","76.453","0.01","80.102","0.011","1695.6","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 N2 O12 -","- C34 H34 N2 O12 -","- C68 H68 N4 O24 -","2","1","","Rivero, Alexandra R.; Fernández, Israel; Sierra, Miguel Ángel","Regio- and Diastereoselective Stepwise [8 + 3]-Cycloaddition Reaction between Tropone Derivatives and Donor-Acceptor Cyclopropanes.","Organic letters","2013","15","19","4928","4931","10.1021/ol4020656","","","0.71073","MoKα","","0.2468","0.0765","","","0.1771","0.211","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512320","10.3946","0.0008","19.3743","0.0012","12.6676","0.0008","90","","98.403","0.004","90","","2523.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F3 N O4 S -","- C27 H22 F3 N O4 S -","- C108 H88 F12 N4 O16 S4 -","4","1","","Xin, Xiaoyi; Wang, Dongping; Wu, Fan; Wang, Chunxiang; Wang, Haolong; Li, Xincheng; Wan, Boshun","Synthesis of Polyfluoroalkyl Cyclobutenes from 3-Aza-1,5-enynes via an Aza-Claisen Rearrangement/Cyclization Cascade.","Organic letters","2013","15","17","4512","4515","10.1021/ol4020738","","","0.71073","MoKα","","0.1092","0.0685","","","0.2158","0.2469","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512321","8.6095","0.0018","31.705","0.006","27.597","0.005","90","","92.899","0.003","90","","7523","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F3 N O4 S -","- C27 H22 F3 N O4 S -","- C324 H264 F36 N12 O48 S12 -","12","3","","Xin, Xiaoyi; Wang, Dongping; Wu, Fan; Wang, Chunxiang; Wang, Haolong; Li, Xincheng; Wan, Boshun","Synthesis of Polyfluoroalkyl Cyclobutenes from 3-Aza-1,5-enynes via an Aza-Claisen Rearrangement/Cyclization Cascade.","Organic letters","2013","15","17","4512","4515","10.1021/ol4020738","","","0.71073","MoKα","","0.0895","0.0554","","","0.1364","0.1482","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512322","8.6762","0.0019","14.417","0.003","21.577","0.006","77.868","0.015","82.34","0.018","88.336","0.016","2615.1","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H21 Cl F3 N O4 S -","- C27 H21 Cl F3 N O4 S -","- C108 H84 Cl4 F12 N4 O16 S4 -","4","2","","Xin, Xiaoyi; Wang, Dongping; Wu, Fan; Wang, Chunxiang; Wang, Haolong; Li, Xincheng; Wan, Boshun","Synthesis of Polyfluoroalkyl Cyclobutenes from 3-Aza-1,5-enynes via an Aza-Claisen Rearrangement/Cyclization Cascade.","Organic letters","2013","15","17","4512","4515","10.1021/ol4020738","","","0.71073","MoKα","","0.1387","0.0528","","","0.0644","0.0742","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512323","6.3054","0.0003","9.0002","0.0004","20.798","0.0009","97.215","0.004","92.994","0.004","98.644","0.004","1154.59","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H25 N2 O10.5 -","- C22 H25 N2 O10.5 -","- C44 H50 N4 O21 -","2","2","","Granda, Jarosław M.; Jurczak, Janusz","Sweet Anion Receptors: Recognition of Chiral Carboxylate Anions byd-Glucuronic-Acid-Decorated Diindolylmethane","Organic Letters","2013","15","18","4730","","10.1021/ol402074u","","","0.71073","MoKα","","0.0448","0.0341","","","0.0722","0.0771","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512324","15.558","0.003","8.9431","0.0016","15.559","0.003","90","","91.684","0.003","90","","2163.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N O5 -","- C23 H22 Br N O5 -","- C92 H88 Br4 N4 O20 -","4","1","","Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing","Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.","Organic letters","2013","15","17","4524","4527","10.1021/ol4020865","","","0.71073","MoKα","","0.0759","0.0452","","","0.1176","0.1336","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512325","7.9542","0.0008","9.0517","0.0009","20.6317","0.0019","97.089","0.002","93.196","0.002","111.877","0.002","1359.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl3 N5 O3 S -","- C23 H28 Cl3 N5 O3 S -","- C46 H56 Cl6 N10 O6 S2 -","2","1","","Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing","Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.","Organic letters","2013","15","17","4524","4527","10.1021/ol4020865","","","0.71073","MoKα","","0.0816","0.071","","","0.2147","0.2314","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512326","18.664","0.002","8.2652","0.0009","12.1851","0.0013","90","","97.374","0.002","90","","1864.1","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing","Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.","Organic letters","2013","15","17","4524","4527","10.1021/ol4020865","","","0.71073","MoKα","","0.0474","0.0384","","","0.0976","0.1043","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512327","7.3334","0.0009","9.7725","0.0012","10.3443","0.0012","67.448","0.002","76.539","0.002","79.385","0.002","662.11","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C28 H34 N6 O6 -","2","1","","Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing","Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.","Organic letters","2013","15","17","4524","4527","10.1021/ol4020865","","","0.71073","MoKα","","0.0569","0.0485","","","0.1281","0.1351","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512328","14.746","0.0008","14.2862","0.0008","11.1084","0.0005","90","","107.787","0.002","90","","2228.3","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N4 O -","- C24 H34 N4 O -","- C96 H136 N16 O4 -","4","1","","Zhang, Bo; Studer, Armido","Stereoselective radical azidooxygenation of alkenes.","Organic letters","2013","15","17","4548","4551","10.1021/ol402106x","","","1.54178","CuKα","","0.0997","0.0512","","","0.1111","0.1328","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512329","5.72","0.008","11.095","0.018","15.48","0.03","83.6","0.08","88.96","0.07","80.16","0.05","962","3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H24 Br N3 O4 -","- C18 H24 Br N3 O4 -","- C36 H48 Br2 N6 O8 -","2","2","","Li, Dong Bo; Rogers-Evans, Mark; Carreira, Erick M.","Construction of Multifunctional Modules for Drug Discovery: Synthesis of Novel Thia/Oxa-Azaspiro[3.4]octanes.","Organic letters","2013","15","18","4766","4769","10.1021/ol402127b","","","1.54178","CuKα","","0.0776","0.0621","","","0.1639","0.1737","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512330","5.493","0.002","20.6","0.008","15.806","0.006","90","","97.051","0.009","90","","1775","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N O2 -","- C19 H27 N O2 -","- C76 H108 N4 O8 -","4","1","","Nash, Aaron; Soheili, Arash; Tambar, Uttam K.","Stereoselective Synthesis of Functionalized Cyclic Amino Acid Derivatives via a [2,3]-Stevens Rearrangement and Ring-Closing Metathesis","Organic Letters","2013","15","18","4770","","10.1021/ol402129h","","","0.71075","MoKα","","0.2791","0.1003","","","0.1975","0.2852","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512331","17.591","0.004","7.9204","0.0017","18.104","0.003","90","","104.474","0.017","90","","2442.3","0.9","153","2","153","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C26 H37 N2 O3.5 S -","- C26 H37 N2 O3.5 S -","- C104 H148 N8 O14 S4 -","4","1","","Nash, Aaron; Soheili, Arash; Tambar, Uttam K.","Stereoselective Synthesis of Functionalized Cyclic Amino Acid Derivatives via a [2,3]-Stevens Rearrangement and Ring-Closing Metathesis","Organic Letters","2013","15","18","4770","","10.1021/ol402129h","","","0.71075","MoKα","","0.0688","0.0567","","","0.1226","0.1306","","","","","","1.065","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512332","9.6564","0.0003","8.3932","0.0002","9.8414","0.0003","90","","102.188","0.003","90","","779.65","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Voatinggine","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Nge, Choy-Eng; Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Voatinggine and Tabertinggine, Pentacyclic Indole Alkaloids Derived from an Iboga Precursor via a Common Cleavamine-Type Intermediate","Organic Letters","2013","15","18","4774","","10.1021/ol4021404","","","1.54184","CuKα","","0.0376","0.0373","","","0.1061","0.1064","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512333","6.7462","0.0002","9.3007","0.0003","32.0517","0.0009","90","","90","","90","","2011.06","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tabertinggine","","","- C20 H23 Cl3 N2 O2 -","- C20 H23 Cl3 N2 O2 -","- C80 H92 Cl12 N8 O8 -","4","1","","Nge, Choy-Eng; Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Voatinggine and Tabertinggine, Pentacyclic Indole Alkaloids Derived from an Iboga Precursor via a Common Cleavamine-Type Intermediate","Organic Letters","2013","15","18","4774","","10.1021/ol4021404","","","0.71073","MoKα","","0.0945","0.0588","","","0.1092","0.1228","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512334","10.029","0.002","10.377","0.002","12.246","0.003","90","","104.183","0.002","90","","1235.6","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O6 S2 -","- C27 H23 N O6 S2 -","- C54 H46 N2 O12 S4 -","2","1","","Wang, Quan-Gang; Zhou, Qing-Qing; Deng, Jin-Gen; Chen, Ying-Chun","An Asymmetric Allylic Alkylation‒Smiles Rearrangement‒Sulfinate Addition Sequence to Construct Chiral Cyclic Sulfones","Organic Letters","2013","15","18","4786","","10.1021/ol402158u","","","0.71073","MoKα","","0.0456","0.0395","","","0.0746","0.0778","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1512335","7.731","0.0015","7.195","0.003","10.886","0.004","90","","104.56","0.02","90","","586.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 Br F3 N -","- C13 H9 Br F3 N -","- C26 H18 Br2 F6 N2 -","2","0.5","","Wang, Yong; Chen, Chao; Zhang, Shu; Lou, Zhenbang; Su, Xiang; Wen, Lirong; Li, Ming","A Concise Construction of Polycyclic Quinolines via Annulation of ω-Cyano-1-alkynes with Diaryliodonium Salts","Organic Letters","2013","15","18","4794","","10.1021/ol402164s","","","0.71073","MoKα","","0.0392","0.0334","","","0.0773","0.0821","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512336","9.8028","0.0005","17.9436","0.0009","14.8057","0.0007","90","","108.059","0.002","90","","2476","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DM02-187","sarpong42","","- C26 H34 N2 O6 -","- C26 H34 N2 O6 -","- C104 H136 N8 O24 -","4","1","","Mundal, Devon A.; Sarpong, Richmond","Synthetic Studies toward the Citrinadin A and B Core Architecture.","Organic letters","2013","15","19","4952","4955","10.1021/ol402177a","","","1.54178","CuKα","","0.0342","0.0335","","","0.0844","0.085","","","","","","1.044","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1512337","10.8816","0.0007","12.2655","0.0008","18.867","0.0012","94.346","0.003","106.589","0.002","102.455","0.003","2331","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DM02-176B","sarpong40","","- C26 H34 N2 O5 -","- C26 H34 N2 O5 -","- C104 H136 N8 O20 -","4","2","","Mundal, Devon A.; Sarpong, Richmond","Synthetic Studies toward the Citrinadin A and B Core Architecture.","Organic letters","2013","15","19","4952","4955","10.1021/ol402177a","","","1.54178","CuKα","","0.0447","0.0408","","","0.1075","0.111","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1512338","15.0275","0.0006","6.8288","0.0003","22.94","0.0009","90","","90.555","0.002","90","","2353.99","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DM02-46","sarpong35","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C104 H128 N8 O20 -","4","1","","Mundal, Devon A.; Sarpong, Richmond","Synthetic Studies toward the Citrinadin A and B Core Architecture.","Organic letters","2013","15","19","4952","4955","10.1021/ol402177a","","","1.54178","CuKα","","0.0354","0.0327","","","0.0813","0.0835","","","","","","1.015","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1512339","7.9222","0.0004","9.853","0.0004","20.0514","0.001","90","","92.404","0.002","90","","1563.78","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O5 S Si -","- C29 H45 N O5 S Si -","- C58 H90 N2 O10 S2 Si2 -","2","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A.","Organic letters","2013","15","17","4584","4587","10.1021/ol4021892","","","0.71073","MoKα","","0.0453","0.0413","","","0.1108","0.1146","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512340","12.1342","0.0007","12.8992","0.0007","22.5938","0.0013","90","","90","","90","","3536.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N O8 Se -","- C36 H51 N O8 Se -","- C144 H204 N4 O32 Se4 -","4","1","","Gui, Jinghan; Tian, Hailong; Tian, Weisheng","Synthesis of glaucogenin d, a structurally unique disecopregnane steroid with potential antiviral activity.","Organic letters","2013","15","18","4802","4805","10.1021/ol402193b","","","0.71073","MoKα","","0.0678","0.0506","","","0.1226","0.1318","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512341","11.319","0.0004","9.278","0.0004","18.4667","0.0007","90","","94.237","0.003","90","","1934.03","0.13","291","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C92 H100 N4 O8 -","4","1","","Liu, Xianglei; Ma, Xinna; Huang, Yunze; Gu, Zhenhua","Pd-Catalyzed Heck-Type Cascade Reactions withN-Tosyl Hydrazones: An Efficient Way to Alkenes via in Situ Generated Alkylpalladium","Organic Letters","2013","15","18","4814","","10.1021/ol402210a","","","1.5418","CuKα","","0.1065","0.0908","","","0.1716","0.1808","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512342","9.4301","0.0014","6.9967","0.0011","18.692","0.003","90","","96.925","0.002","90","","1224.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Gou, Quan; Deng, Bin; Zhang, Hongbin; Qin, Jun","Arylations of Substituted Enamides by Aryl Iodides: Regio- and Stereoselective Synthesis of (Z)-β-Amido-β-Arylacrylates.","Organic letters","2013","15","17","4604","4607","10.1021/ol402215f","","","0.71073","MoKα","","0.0909","0.0493","","","0.1116","0.1301","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512343","9.5053","0.0011","14.4803","0.0018","9.8588","0.0012","90","","108.461","0.001","90","","1287.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Gou, Quan; Deng, Bin; Zhang, Hongbin; Qin, Jun","Arylations of Substituted Enamides by Aryl Iodides: Regio- and Stereoselective Synthesis of (Z)-β-Amido-β-Arylacrylates.","Organic letters","2013","15","17","4604","4607","10.1021/ol402215f","","","0.71073","MoKα","","0.066","0.0453","","","0.1348","0.1586","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512344","8.9371","0.0012","12.7168","0.0017","20.942","0.003","90","","90","","90","","2380.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F N O3 -","- C12 H12 F N O3 -","- C96 H96 F8 N8 O24 -","8","2","","Gou, Quan; Deng, Bin; Zhang, Hongbin; Qin, Jun","Arylations of Substituted Enamides by Aryl Iodides: Regio- and Stereoselective Synthesis of (Z)-β-Amido-β-Arylacrylates.","Organic letters","2013","15","17","4604","4607","10.1021/ol402215f","","","0.71073","MoKα","","0.0913","0.047","","","0.1038","0.1264","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512345","8.05","0.005","9.761","0.007","11.482","0.007","76.232","0.011","86.614","0.012","78.203","0.012","857.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Zhang, Zhi-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","Cu(TFA)2-Catalyzed Oxidative Tandem Cyclization/1,2-Alkyl Migration of Enamino Amides for Synthesis of Pyrrolin-4-ones","Organic Letters","2013","15","18","4822","","10.1021/ol4022222","","","0.71073","MoKα","","0.1014","0.0593","","","0.1493","0.1814","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512346","6.4311","0.0002","10.2155","0.0003","14.4708","0.0005","90","","90.972","0.001","90","","950.55","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","13100a","","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C42 H48 Br2 N2 O6 -","2","1","","Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.","A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides","Organic Letters","2013","15","18","4842","","10.1021/ol402254p","","","1.54178","CuKα","","0.0187","0.0187","","","0.0489","0.049","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512347","8.7711","0.0003","11.3886","0.0003","20.3871","0.0006","90","","90","","90","","2036.48","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","13113a","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C104 H108 N4 O12 -","4","1","","Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.","A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides","Organic Letters","2013","15","18","4842","","10.1021/ol402254p","","","1.54178","CuKα","","0.0267","0.0255","","","0.0623","0.063","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512348","11.3046","0.0007","26.6589","0.0016","6.2333","0.0004","90","","90","","90","","1878.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","130125a","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.","A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides","Organic Letters","2013","15","18","4842","","10.1021/ol402254p","","","1.54178","CuKα","","0.0339","0.0302","","","0.0702","0.0723","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512349","10.218","0.0007","17.627","0.0013","18.0314","0.0013","90","","97.932","0.002","90","","3216.6","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C144 H144 N16 O32 -","8","2","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0961","0.0518","","","0.1407","0.1677","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512350","8.4406","0.0009","10.2459","0.0011","10.6103","0.0008","66.366","0.009","80.901","0.007","74.929","0.009","810.21","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C38 H40 N4 O8 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0597","0.0446","","","0.1001","0.1095","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512351","8.2315","0.0006","10.0246","0.0007","10.7097","0.0007","115.321","0.007","94.926","0.006","105.247","0.006","750.52","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0525","0.0422","","","0.099","0.1061","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512352","9.2372","0.0007","9.6199","0.0014","10.3333","0.0014","83.624","0.012","76.161","0.009","82.285","0.009","880.52","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C40 H42 N6 O8 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0745","0.0564","","","0.1344","0.1472","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512353","8.2451","0.0004","9.8764","0.0005","10.1747","0.0005","99.779","0.004","110.657","0.004","106.935","0.004","706.43","0.07","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.1025","0.052","","","0.1107","0.1195","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512354","11.3182","0.0009","15.2662","0.0012","16.9741","0.0013","90","","90","","90","","2932.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0461","0.0388","","","0.1105","0.1195","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512355","9.8799","0.0004","11.9219","0.0004","13.6695","0.0005","90","","91.371","0.003","90","","1609.63","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0715","0.0415","","","0.095","0.1008","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512356","12.358","0.0005","11.8372","0.0005","22.9929","0.0012","90","","90","","90","","3363.5","0.3","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0903","0.0517","","","0.1092","0.1284","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512357","8.9628","0.0007","9.443","0.0007","10.9622","0.0007","71.501","0.002","81.59","0.002","80.26","0.003","862.91","0.11","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C40 H42 N6 O6 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0822","0.0706","","","0.1909","0.2127","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512358","7.3993","0.0004","9.5965","0.0004","28.1164","0.0017","90","","95.021","0.004","90","","1988.81","0.18","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O -","- C28 H21 N3 O -","- C112 H84 N12 O4 -","4","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0688","0.0493","","","0.1097","0.1199","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512359","15.8305","0.001","15.8305","0.001","4.1963","0.0006","90","","90","","120","","910.72","0.15","305","2","305","2","","","","","","","","4","P 32","P 32","145","","","","- C42 H34 Br3 O6 -","- C42 H33 Br3 O6 -","- C42 H33 Br3 O6 -","1","0.333333","","Wang, Zi-Yu; Wong, Wing-Tak; Yang, Dan","Organocatalyzed Asymmetric Synthesis of Dihydrodibenzofurans Based on a Dienamine Process.","Organic letters","2013","15","19","4980","4983","10.1021/ol402288y","","","0.71073","MoKα","","0.0713","0.065","","","0.1944","0.1977","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512360","16.857","0.005","7.886","0.002","15.702","0.005","90","","100.977","0.005","90","","2049.1","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Br O4 S -","- C23 H21 Br O4 S -","- C92 H84 Br4 O16 S4 -","4","1","","Zheng, Jie; Huang, You; Li, Zhengming","Phosphine-Catalyzed Domino Benzannulation: An Efficient Method to Construct Biaryl Skeletons.","Organic letters","2013","15","19","5064","5067","10.1021/ol4022904","","","0.71073","MoKα","","0.0518","0.0396","","","0.0765","0.0821","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512361","21.3728","0.0011","10.8964","0.0006","25.8063","0.0016","90","","90.764","0.005","90","","6009.4","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H57 F12 N3 O14 P2 -","- C51 H57 F12 N3 O14 P2 -","- C204 H228 F48 N12 O56 P8 -","4","1","","Li, Jinying; Wei, Peifa; Wu, Xiujuan; Xue, Min; Yan, Xuzhou","Three Protocols for the Formation of a [3]Pseudorotaxane via Orthogonal Cryptand-Based Host-Guest Recognition and Coordination-Driven Self-Assembly.","Organic letters","2013","15","19","4984","4987","10.1021/ol402294q","","","0.71073","MoKα","","0.1272","0.0918","","","0.2672","0.2939","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512362","11.246","0.002","11.452","0.002","12.825","0.004","98.268","0.003","97.479","0.003","117.011","0.002","1420","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N4 O4 S -","- C31 H27 N4 O4 S -","- C62 H54 N8 O8 S2 -","2","1","","Zhu, Gongming; Sun, Wangsheng; Wu, Chongyang; Li, Guofeng; Hong, Liang; Wang, Rui","Base-Catalyzed Diastereoselective [3 + 3] Annulation of 3-Isothiocyanatooxindoles and Azomethine Imines.","Organic letters","2013","15","19","4988","4991","10.1021/ol402295m","","","0.71073","MoKα","","0.087","0.0574","","","0.1621","0.1925","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512363","9.6557","0.0005","9.9912","0.0005","10.3757","0.0005","67.275","0.005","67.328","0.005","71.186","0.005","834.01","0.08","203","","203","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N2 O2 S -","- C16 H24 N2 O2 S -","- C32 H48 N4 O4 S2 -","2","1","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","1.54184","CuKα","","0.0459","0.0404","","","0.1092","0.1137","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512364","8.0895","0.0003","10.0087","0.0003","15.3162","0.0005","90","","103.252","0.003","90","","1207.06","0.07","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C40 H68 N12 O12 S4 -","4","1","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","0.71073","MoKα","","0.0398","0.0325","","","0.0777","0.0813","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512365","45.361","0.0007","45.361","0.0007","11.08652","0.00017","90","","90","","120","","19755.6","0.5","173","","173","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C46.5 H51.17 Cl4 N2 P2 Ru -","- C46 H50 Cl4 N2 P2 Ru -","- C828 H900 Cl72 N36 P36 Ru18 -","18","1","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","0.71073","MoKα","","0.0374","0.0308","","","0.0774","0.0809","","","","","","1.062","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512366","18.68118","0.00013","18.68118","0.00013","11.51988","0.00009","90","","90","","120","","3481.67","0.04","173","","173","","","","","","","","","5","P -3","-P 3","147","","","","- C47 H58.33 Cu2 N4 O8 -","- C46 H56 Cu2 N4 O8 -","- C138 H168 Cu6 N12 O24 -","3","0.5","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","1.54184","CuKα","","0.0455","0.0377","","","0.0965","0.102","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512367","10.504","0.003","10.554","0.003","11.201","0.003","67.406","0.018","73.018","0.016","82.661","0.018","1096.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 I N2 O2 -","- C24 H19 I N2 O2 -","- C48 H38 I2 N4 O4 -","2","1","","Bharathiraja, Ganesan; Sakthivel, Sekarpandi; Sengoden, Mani; Punniyamurthy, Tharmalingam","A Novel Tandem Sequence to Pyrrole Syntheses by 5-endo-dig Cyclization of 1,3-Enynes with Amines.","Organic letters","2013","15","19","4996","4999","10.1021/ol402305b","","","0.71073","MoKα","","0.0454","0.0313","","","0.079","0.0883","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512368","13.0629","0.0003","11.4911","0.0004","14.3136","0.0005","90","","101.608","0.002","90","","2104.63","0.12","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","Mattson 1963","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C88 H96 N16 O24 -","8","1","","Nickerson, David M.; Angeles, Veronica V.; Mattson, Anita E.","Urea Activation of Nitrimines: A Mild, Metal-Free Approach to Sterically Hindered Enamines.","Organic letters","2013","15","19","5000","5003","10.1021/ol402310b","","x-ray","0.71073","MoKα","","0.0587","0.0422","","","0.1034","0.1127","","","","","","1.055","","","","has coordinates","296814","2024-12-10","08:46:15",""
"1512369","6.0997","0.0018","14.647","0.004","27.856","0.007","90","","99.72","0.008","90","","2453","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C124 H116 N4 O8 S4 -","4","1","","Race, Nicholas J.; Bower, John F.","Palladium catalyzed cyclizations of oxime esters with 1,2-disubstituted alkenes: synthesis of dihydropyrroles.","Organic letters","2013","15","17","4616","4619","10.1021/ol4023112","","","1.54178","CuKα","","0.2275","0.1275","","","0.2853","0.3513","","","","","","1.162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512370","31.489","0.002","7.4022","0.0005","6.4814","0.0005","90","","100.894","0.005","90","","1483.51","0.18","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Race, Nicholas J.; Bower, John F.","Palladium catalyzed cyclizations of oxime esters with 1,2-disubstituted alkenes: synthesis of dihydropyrroles.","Organic letters","2013","15","17","4616","4619","10.1021/ol4023112","","","0.71073","MoKα","","0.0411","0.0336","","","0.0817","0.0852","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512371","17.1022","0.0007","7.4395","0.0003","20.7424","0.001","90","","98.282","0.004","90","","2611.6","0.2","295.4","0.4","295.4","0.4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N -","- C17 H15 N -","- C136 H120 N8 -","8","2","","Yan, Rulong; Liu, Xingxing; Pan, Congming; Zhou, Xiaoqiang; Li, Xiaoni; Kang, Xing; Huang, Guosheng","Aerobic Synthesis of Substituted Quinoline from Aldehyde and Aniline: Copper-Catalyzed Intermolecular C‒H Active and C‒C Formative Cyclization","Organic Letters","2013","15","18","4876","","10.1021/ol402312h","","","0.7107","MoKα","","0.1072","0.0643","","","0.183","0.2133","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512372","7.8897","0.0009","20.511","0.003","21.318","0.003","90","","90","","90","","3449.8","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Cl N O -","- C22 H16 Cl N O -","- C176 H128 Cl8 N8 O8 -","8","1","","Bhunia, Anup; Porwal, Digvijay; Gonnade, Rajesh G.; Biju, Akkattu T.","Multicomponent reactions involving arynes, quinolines, and aldehydes.","Organic letters","2013","15","17","4620","4623","10.1021/ol4023134","","","0.71073","MoKα","","0.093","0.0473","","","0.1324","0.1626","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512373","11.9649","0.001","5.9267","0.0005","17.3226","0.0014","90","","105.988","0.002","90","","1180.87","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 F6 O4 P S -","- C23 H19 F6 O4 P S -","- C46 H38 F12 O8 P2 S2 -","2","1","","Lu, Junzhu; Ye, Jinxing; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to α,β-Unsaturated Sulfonic Esters for the Synthesis of Chiral Phosphine Sulfonate Compounds.","Organic letters","2013","15","19","5016","5019","10.1021/ol402351c","","","0.71073","MoKα","","0.0672","0.0526","","","0.1335","0.1448","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512374","10.0213","0.0011","9.8951","0.0011","13.7604","0.0015","90","","98.053","0.002","90","","1351.1","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H30 N O3 P Pd S -","- C29 H30 N O3 P Pd S -","- C58 H60 N2 O6 P2 Pd2 S2 -","2","1","","Lu, Junzhu; Ye, Jinxing; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to α,β-Unsaturated Sulfonic Esters for the Synthesis of Chiral Phosphine Sulfonate Compounds.","Organic letters","2013","15","19","5016","5019","10.1021/ol402351c","","","0.71073","MoKα","","0.0593","0.0587","","","0.1516","0.1523","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512375","7.6077","0.0015","10.2","0.002","13.805","0.003","76.12","0.03","82.47","0.03","69.23","0.03","971.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl N O -","- C24 H18 Cl N O -","- C48 H36 Cl2 N2 O2 -","2","1","","Liu, Zhenxing; Xia, Ying; Zhou, Shiyi; Wang, Long; Zhang, Yan; Wang, Jianbo","Pd-Catalyzed Cyclization and Carbene Migratory Insertion: New Approach to 3-Vinylindoles and 3-Vinylbenzofurans.","Organic letters","2013","15","19","5032","5035","10.1021/ol402368h","","","0.71073","MoKα","","0.1341","0.0937","","","0.2379","0.2685","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512376","18.6916","0.0012","5.7783","0.0005","33.895","0.002","90","","102.828","0.007","90","","3569.5","0.4","180","2","180.15","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 O -","- C26 H18 O -","- C208 H144 O8 -","8","1","","Liu, Zhenxing; Xia, Ying; Zhou, Shiyi; Wang, Long; Zhang, Yan; Wang, Jianbo","Pd-Catalyzed Cyclization and Carbene Migratory Insertion: New Approach to 3-Vinylindoles and 3-Vinylbenzofurans.","Organic letters","2013","15","19","5032","5035","10.1021/ol402368h","","","0.7107","MoKα","","0.0592","0.0434","","","0.1033","0.1128","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512377","7.6739","0.0009","8.242","0.001","16.537","0.002","90","","96.94","0.01","90","","1038.3","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl O4 -","- C11 H9 Cl O4 -","- C44 H36 Cl4 O16 -","4","1","","Aspin, Sam; López-Suárez, Laura; Larini, Paolo; Goutierre, Anne-Sophie; Jazzar, Rodolphe; Baudoin, Olivier","Palladium-Catalyzed β-Arylation of Silyl Ketene Acetals and Application to the Synthesis of Benzo-Fused δ-Lactones.","Organic letters","2013","15","19","5056","5059","10.1021/ol402398s","","","1.5418","CuKα","","0.0858","0.0835","","0.2352","0.2294","0.2352","","","","","","1.0119","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512378","8.0497","0.0004","15.5432","0.0008","21.3767","0.0011","90","","90","","90","","2674.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O11 -","- C29 H32 O11 -","- C116 H128 O44 -","4","1","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.0366","0.0366","","","0.092","0.092","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512379","19.0394","0.0003","19.0394","0.0003","8.2358","0.0002","90","","90","","90","","2985.47","0.1","100","2","100","2","","","","","","","","3","P 42","P 4c","77","","","","- C29 H42 O16 -","- C29 H32 O16 -","- C116 H128 O64 -","4","1","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.049","0.0486","","","0.134","0.1345","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512380","11.7108","0.0003","11.236","0.0003","22.3436","0.0005","90","","103.523","0.001","90","","2858.52","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O12 -","- C30 H36 O12 -","- C120 H144 O48 -","4","2","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.0714","0.0708","","","0.1938","0.1951","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512381","9.3094","0.0002","17.5159","0.0003","18.8567","0.0003","90","","90","","90","","3074.82","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O12 -","- C31 H46 O12 -","- C124 H184 O48 -","4","1","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.0398","0.0393","","","0.1033","0.1037","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512382","13.327","0.003","17.391","0.004","23.422","0.005","93.875","0.003","102.751","0.002","110.568","0.002","4894.1","1.9","120","2","120","2","","","","","","","","3","P -1","-P 1","2","C14satNpcage","","","- C52 H90 Si2 -","- C52 H90 Si2 -","- C208 H360 Si8 -","4","2","","Setaka, Wataru; Koyama, Akiko; Yamaguchi, Kentaro","Cage Size Effects on the Rotation of Molecular Gyrotops with 1,4-Naphthalenediyl Rotor in Solution.","Organic letters","2013","15","19","5092","5095","10.1021/ol402464d","","","0.71073","MoKα","","0.1375","0.0781","","","0.1899","0.2273","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512383","14.1947","0.0012","15.1832","0.0013","28.719","0.002","85.137","0.001","80.282","0.001","75.08","0.001","5889.5","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","C16satNpcage","","","- C122 H216 O1.5 Si4 -","- C122 H216 O1.5 Si4 -","- C244 H432 O3 Si8 -","2","1","","Setaka, Wataru; Koyama, Akiko; Yamaguchi, Kentaro","Cage Size Effects on the Rotation of Molecular Gyrotops with 1,4-Naphthalenediyl Rotor in Solution.","Organic letters","2013","15","19","5092","5095","10.1021/ol402464d","","","0.71073","MoKα","","0.1435","0.0589","","","0.1263","0.1625","","","","","","0.998","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512384","14.5354","0.0018","14.7161","0.0018","16.738","0.002","66.601","0.002","82.719","0.002","68.828","0.002","3063.5","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","C18cageNp","","","- C64 H114 Si2 -","- C64 H114 Si2 -","- C128 H228 Si4 -","2","1","","Setaka, Wataru; Koyama, Akiko; Yamaguchi, Kentaro","Cage Size Effects on the Rotation of Molecular Gyrotops with 1,4-Naphthalenediyl Rotor in Solution.","Organic letters","2013","15","19","5092","5095","10.1021/ol402464d","","","0.71073","MoKα","","0.0981","0.0587","","","0.1309","0.1511","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512385","7.3794","0.001","12.184","0.0016","21.074","0.003","90","","90","","90","","1894.8","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Liu, Ya-Ping; Lai, Ren; Yao, Yong-Gang; Zhang, Zhong-Kai; Pu, En-Tang; Cai, Xiang-Hai; Luo, Xiao-Dong","Induced Furoeudesmanes: A Defense Mechanism Against Stress in Laggera pterodonta , a Chinese Herbal Plant.","Organic letters","2013","15","19","4940","4943","10.1021/ol4024826","","","0.71073","MoKα","","0.1189","0.051","","","0.0998","0.1244","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512386","6.98498","0.00008","11.58675","0.00014","35.3323","0.0006","90","","90","","90","","2859.56","0.07","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 Cl N2 O3 Ru S -","- C31 H33 Cl N2 O3 Ru S -","- C124 H132 Cl4 N8 O12 Ru4 S4 -","4","1","","Soni, Rina; Jolley, Katherine E.; Clarkson, Guy J.; Wills, Martin","Direct Formation of Tethered Ru(II) Catalysts Using Arene Exchange.","Organic letters","2013","15","19","5110","5113","10.1021/ol4024979","","","1.54184","CuKα","","0.0293","0.028","","","0.0669","0.0678","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512387","7.5837","0.0001","10.223","0.0001","38.6764","0.0003","90","","90","","90","","2998.51","0.05","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cl N2 O4 Ru S -","- C32 H35 Cl N2 O4 Ru S -","- C128 H140 Cl4 N8 O16 Ru4 S4 -","4","1","","Soni, Rina; Jolley, Katherine E.; Clarkson, Guy J.; Wills, Martin","Direct Formation of Tethered Ru(II) Catalysts Using Arene Exchange.","Organic letters","2013","15","19","5110","5113","10.1021/ol4024979","","","1.54178","CuKα","","0.0408","0.0393","","","0.0993","0.0997","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512388","5.293","0.0003","8.781","0.0006","20.7367","0.001","90","","91.303","0.005","90","","963.55","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Br N O2 -","- C24 H18 Br N O2 -","- C48 H36 Br2 N2 O4 -","2","1","","Zhang, Hai-Rui; Dong, Zhen-Wen; Yang, Yu-Jie; Wang, Ping-Luan; Hui, Xin-Ping","N-heterocyclic carbene-catalyzed stereoselective cascade reaction: synthesis of functionalized tetrahydroquinolines.","Organic letters","2013","15","18","4750","4753","10.1021/ol4024985","","","0.7107","MoKα","","0.0652","0.0491","","","0.0999","0.108","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512389","7.369","0.0004","9.0521","0.0007","15.6231","0.0011","74.152","0.003","87.885","0.004","70.465","0.009","943.11","0.13","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C42 H38 Cl2 N4 O6 -","2","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","1.54178","CuKα","","0.033","0.0329","","","0.0873","0.0873","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512390","8.6129","0.0016","10.1365","0.0019","16.519","0.003","81.013","0.002","76.588","0.002","74.509","0.002","1345","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 Cl N O3 -","- C33 H28 Cl N O3 -","- C66 H56 Cl2 N2 O6 -","2","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","0.71073","MoKα","","0.0486","0.0396","","","0.1011","0.1079","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512391","9.3945","0.001","11.7375","0.0013","19.054","0.002","90","","90","","90","","2101","0.4","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl N2 O4 -","- C22 H21 Cl N2 O4 -","- C88 H84 Cl4 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","0.71073","MoKα","","0.0272","0.0262","","","0.0703","0.0713","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512392","7.7223","0.0005","10.6112","0.0007","29.009","0.002","90","","90","","90","","2377.1","0.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl N2 O4 -","- C27 H23 Cl N2 O4 -","- C108 H92 Cl4 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","0.71073","MoKα","","0.0355","0.0304","","","0.0694","0.0729","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512393","8.0023","0.0008","8.5569","0.0007","27.385","0.002","90","","90","","90","","1875.2","0.3","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","1.54178","CuKα","","0.0258","0.0258","","","0.0677","0.0677","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512394","6.3661","0.0001","16.2208","0.0004","18.3651","0.0004","90","","90","","90","","1896.44","0.07","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","1.54178","CuKα","","0.0243","0.0242","","","0.0639","0.064","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512395","9.2559","0.0004","7.6278","0.0004","17.566","0.0009","90","","95.99","0.002","90","","1233.43","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 Br N O4 S -","- C27 H26 Br N O4 S -","- C54 H52 Br2 N2 O8 S2 -","2","1","","Dou, Xiaowei; Zhou, Bo; Yao, Weijun; Zhong, Fangrui; Jiang, Chunhui; Lu, Yixin","A Facile Approach for the Asymmetric Synthesis of Oxindoles with a 3-Sulfenyl-Substituted Quaternary Stereocenter.","Organic letters","2013","15","19","4920","4923","10.1021/ol402579x","","","0.71073","MoKα","","0.0259","0.0244","","","0.0585","0.0589","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512564","18.941","0.0005","11.5381","0.0003","14.572","0.0004","90","","109.522","0.002","90","","3001.54","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 O5 S -","- C33 H42 O5 S -","- C132 H168 O20 S4 -","4","1","","Vidali, Veroniki P.; Mitsopoulou, Kornilia P.; Dakanali, Marianna; Demadis, Konstantinos D.; Odysseos, Andreani D.; Christou, Yiota A.; Couladouros, Elias A.","An Unusual Michael-Induced Skeletal Rearrangement of a Bicyclo[3.3.1]nonane Framework of Phloroglucinols to a Novel Bioactive Bicyclo[3.3.0]octane.","Organic letters","2013","15","21","5404","5407","10.1021/ol4020909","","","0.71073","MoKα","","0.0933","0.0501","","","0.1336","0.1626","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512565","19.043","0.004","5.2281","0.001","16.532","0.003","90","","107.22","0.03","90","","1572.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Liu, Hailan; Zhou, Yiqing; Yan, Xiaoyu; Chen, Chao; Liu, Qingbin; Xi, Chanjuan","Copper-Mediated Amidation of Alkenylzirconocenes with Acyl Azides: Formation of Enamides","Organic Letters","2013","15","20","5174","","10.1021/ol402212g","","","0.71073","MoKα","","","0.0976","","","0.2736","0.2934","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512566","18.2298","0.0011","8.4545","0.0004","18.1304","0.0009","90","","93.618","0.004","90","","2788.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C120 H120 N8 O16 S8 -","8","1","","Wei, Ying; Liang, Fushun; Zhang, Xintong","N-Bromoimide/DBU Combination as a New Strategy for Intermolecular Allylic Amination","Organic Letters","2013","15","20","5186","","10.1021/ol402287n","","","0.71073","MoKα","","0.0508","0.04","","","0.1024","0.1124","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512567","12.429","","7.804","","21.708","","90","","94.39","","90","","2099.41","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H10.5 Br0.5 N10.5 O10.5 S0.5 -","- C21 H20 Br N O4 S2 -","- C84 H80 Br4 N4 O16 S8 -","4","1","","Wei, Ying; Liang, Fushun; Zhang, Xintong","N-Bromoimide/DBU Combination as a New Strategy for Intermolecular Allylic Amination","Organic Letters","2013","15","20","5186","","10.1021/ol402287n","","","0.71073","MoKα","","0.0859","0.0494","","","0.0957","0.1118","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512568","7.844","0.011","11.183","0.015","12.865","0.019","85.56","0.05","85.01","0.04","80.27","0.03","1106","3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl F3 N2 O4 -","- C23 H20 Cl F3 N2 O4 -","- C46 H40 Cl2 F6 N4 O8 -","2","1","","Yang, Li-Jun; Wang, Shuai; Nie, Jing; Li, Shen; Ma, Jun-An","Bisphosphine-Triggered One-Pot Sequential [3 + 2]/[3 + 2] Annulation of Allenoates with Cyclic Ketimines","Organic Letters","2013","15","20","5214","","10.1021/ol402364t","","","0.71073","MoKα","","0.0949","0.0801","","","0.2778","0.2895","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512569","11.216","0.006","16.253","0.01","20.844","0.013","83.508","0.012","82.179","0.016","78.671","0.012","3676","4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Br2 F3 N3 O7 -","- C36 H32 Br2 F3 N3 O7 -","- C144 H128 Br8 F12 N12 O28 -","4","2","","Yang, Li-Jun; Wang, Shuai; Nie, Jing; Li, Shen; Ma, Jun-An","Bisphosphine-Triggered One-Pot Sequential [3 + 2]/[3 + 2] Annulation of Allenoates with Cyclic Ketimines","Organic Letters","2013","15","20","5214","","10.1021/ol402364t","","","0.71073","MoKα","","0.2072","0.0741","","","0.1697","0.249","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512570","12.48","0.005","16.462","0.006","8.795","0.003","90","","103.289","0.009","90","","1758.5","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBHP-Catalyzed Chemoselective Amination of Indoles","Organic Letters","2013","15","20","5226","","10.1021/ol4023936","","","0.7107","MoKα","","0.1771","0.1039","","","0.2092","0.2486","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512571","23.0116","0.0014","11.7702","0.001","17.9128","0.001","90","","92.626","0.005","90","","4846.6","0.6","223","0.1","223","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 N3 O2 -","- C27 H31 N3 O2 -","- C216 H248 N24 O16 -","8","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBHP-Catalyzed Chemoselective Amination of Indoles","Organic Letters","2013","15","20","5226","","10.1021/ol4023936","","","0.7107","MoKα","","0.1005","0.0579","","","0.1469","0.1783","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512572","9.1909","0.001","29.712","0.003","8.0681","0.0008","90","","107.905","0.011","90","","2096.5","0.4","179.7","0.5","179.7","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N3 O2 S -","- C23 H22 Br N3 O2 S -","- C92 H88 Br4 N12 O8 S4 -","4","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBHP-Catalyzed Chemoselective Amination of Indoles","Organic Letters","2013","15","20","5226","","10.1021/ol4023936","","","0.7107","MoKα","","0.0644","0.0413","","","0.0861","0.0966","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512573","9.7685","0.0005","26.1496","0.0011","10.6114","0.0006","90","","116.328","0.007","90","","2429.4","0.3","200.05","0.1","200.05","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 I N3 O4 S -","- C25 H24 I N3 O4 S -","- C100 H96 I4 N12 O16 S4 -","4","2","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBHP-Catalyzed Chemoselective Amination of Indoles","Organic Letters","2013","15","20","5226","","10.1021/ol4023936","","","0.7107","MoKα","","0.0397","0.0339","","","0.0712","0.0745","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512574","4.485","0.001","19.949","0.002","12.972","0.001","90","","95.19","0.006","90","","1155.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-methyl-2-phenylquinoxaline","","- C15 H12 N2 -","- C15 H12 N2 -","- C60 H48 N8 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal; Al-Mourabit, Ali","A Simple and Straightforward Approach to Quinoxalines by Iron/Sulfur-Catalyzed Redox Condensation ofo-Nitroanilines and Phenethylamines","Organic Letters","2013","15","20","5238","","10.1021/ol402435c","","","0.7107","MoKα","","0.1178","0.0538","","","0.1297","0.1633","","","","","","0.984","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512575","16.03","0.002","3.957","0.001","22.244","0.004","90","","123.614","0.002","90","","1175","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-methoxy-2-phenylquinoxaline","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal; Al-Mourabit, Ali","A Simple and Straightforward Approach to Quinoxalines by Iron/Sulfur-Catalyzed Redox Condensation ofo-Nitroanilines and Phenethylamines","Organic Letters","2013","15","20","5238","","10.1021/ol402435c","","","0.7107","MoKα","","0.0781","0.0518","","","0.1353","0.158","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512576","7.7124","0.0011","8.5857","0.0012","14.714","0.002","88.357","0.002","84.196","0.002","63.703","0.002","868.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N O4 S2 -","- C20 H15 N O4 S2 -","- C40 H30 N2 O8 S4 -","2","1","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71073","MoKα","","0.0815","0.0564","","","0.1287","0.1909","","","","","","1.21","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512577","14.79","0.0009","15.132","0.002","6.93","0.0005","90","","96.685","0.005","90","","1540.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71073","MoKα","","0.0986","0.0873","","","0.2206","0.2268","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512578","7.529","0.005","8.069","0.005","12.582","0.005","87.884","0.005","84.376","0.005","85.268","0.005","757.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O3 S -","- C19 H15 N O3 S -","- C38 H30 N2 O6 S2 -","2","1","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71069","MoKα","","0.0454","0.041","","","0.1054","0.1087","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512579","11.1863","0.0001","20.2267","0.0001","15.4476","0.0001","90","","102.894","0.001","90","","3407.07","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cl N O S -","- C22 H14 Cl N O S -","- C176 H112 Cl8 N8 O8 S8 -","8","2","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","1.5418","CuKα","","0.0343","0.0336","","","0.0904","0.0909","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512580","7.8933","0.0007","12.1766","0.0011","18.5618","0.0016","101.437","0.002","93.853","0.002","94.818","0.002","1736","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N O4 S -","- C21 H17 N O4 S -","- C84 H68 N4 O16 S4 -","4","2","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71073","MoKα","","0.1091","0.0689","","","0.1583","0.234","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512581","7.6132","0.0003","11.2387","0.0004","12.7129","0.0004","94.482","0.002","95.013","0.002","105.512","0.002","1038.26","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cl N O S2 -","- C24 H16 Cl N O S2 -","- C48 H32 Cl2 N2 O2 S4 -","2","1","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71073","MoKα","","0.0614","0.0409","","","0.0942","0.1009","","","","","","0.879","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512582","7.7991","0.0019","10.857","0.003","37.346","0.01","90","","90","","90","","3162.3","1.4","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Br N2 O10 S -","- C33 H31 Br N2 O10 S -","- C132 H124 Br4 N8 O40 S4 -","4","1","","Harada, Shinji; Morikawa, Takahiro; Nishida, Atsushi","Chiral Holmium Complex-Catalyzed Diels‒Alder Reaction of Silyloxyvinylindoles: Stereoselective Synthesis of Hydrocarbazoles","Organic Letters","2013","15","20","5314","","10.1021/ol402559z","","","0.71073","MoKα","","0.1348","0.0932","","","0.2081","0.2264","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512583","21.2352","0.0008","21.2352","0.0008","23.791","0.001","90","","90","","90","","10728.2","0.7","150","","150","","","","","","","","Synthesized by the authors. See text","5","I -4 2 d","I -4 2bw","122","","","","- C100 H96 N8 O8 Pt -","- C100 H96 N8 O8 Pt -","- C400 H384 N32 O32 Pt4 -","4","0.25","","Zems, Yaroslav; Moiseev, Andrey G.; Perepichka, Dmitrii F.","Convenient Synthesis of a Highly Soluble and Stable Phosphorescent Platinum Porphyrin Dye","Organic Letters","2013","15","20","5330","","10.1021/ol402590c","","","1.54178","CuKα","","0.0376","0.0375","","","0.115","0.1151","","","","","","1.196","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512584","5.5644","0.0006","11.1162","0.0012","18.838","0.002","78.685","0.002","82.839","0.002","81.501","0.002","1124.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C58 H46 N2 O4 S2 -","2","1","","Pirwerdjan, Ramona; Priebbenow, Daniel L.; Becker, Peter; Lamers, Philip; Bolm, Carsten","Exploring the reactivity of N-alkynylated sulfoximines: [2 + 2]-cycloadditions.","Organic letters","2013","15","21","5397","5399","10.1021/ol4026028","","","0.71073","MoKα","","0.0657","0.0495","","","0.108","0.1173","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512585","9.6627","0.0007","13.449","0.0009","12.0884","0.0008","90","","90.961","0.001","90","","1570.71","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H45 N O9 Si -","- C28 H45 N O9 Si -","- C56 H90 N2 O18 Si2 -","2","1","","Tanis, Paul S.; Infantine, Joshua R.; Leighton, James L.","Exploiting pseudo c2-symmetry for an efficient synthesis of the f-ring of the spongistatins.","Organic letters","2013","15","21","5464","5467","10.1021/ol402604s","","","0.71073","MoKα","","0.0515","0.0444","","","0.114","0.1201","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512586","12.7853","0.0004","13.9375","0.0005","17.3593","0.0005","72.293","0.003","70.801","0.003","73.133","0.003","2720.04","0.16","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H61 F6 N2 O13 P -","- C51 H61 F6 N2 O13 P -","- C102 H122 F12 N4 O26 P2 -","2","1","","Zhou, Qizhong; Wei, Peifa; Zhang, Yanyan; Yu, Yihua; Yan, Xuzhou","Benzo-21-crown-7-Based [1]Rotaxanes: Syntheses, X-ray Crystal Structures, and Dynamic Characteristics","Organic Letters","2013","15","20","5350","","10.1021/ol402607x","","","0.71073","MoKα","","0.1215","0.0809","","","0.235","0.2588","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512587","6.2782","0.0007","9.3617","0.0012","13.9272","0.0017","90","","100.666","0.009","90","","804.42","0.17","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","","Yetra, Santhivardhana Reddy; Kaicharla, Trinadh; Kunte, Sunita S.; Gonnade, Rajesh G.; Biju, Akkattu T.","Asymmetric N-Heterocyclic Carbene (NHC)-Catalyzed Annulation of Modified Enals with Enolizable Aldehydes","Organic Letters","2013","15","20","5202","","10.1021/ol4026155","","","0.71073","MoKα","","0.0906","0.0416","","","0.0852","0.1007","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512588","7.1357","0.0006","15.2442","0.0007","11.1252","0.001","90","","106.762","0.009","90","","1158.76","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H35 Cl P2 Pd -","- C20 H35 Cl P2 Pd -","- C40 H70 Cl2 P4 Pd2 -","2","1","","Ding, Boqiang; Zhang, Zhenfeng; Xu, Yang; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-Stereogenic PCP Pincer-Pd Complexes: Synthesis and Application in Asymmetric Addition of Diarylphosphines to Nitroalkenes.","Organic letters","2013","15","21","5476","5479","10.1021/ol402627f","","","0.71073","MoKα","","0.0798","0.061","","","0.161","0.179","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512589","23.9112","0.0012","6.492","0.0009","26.346","0.002","90","","95.462","0.006","90","","4071.2","0.7","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H51 N3 O12 Si2 -","- C35 H51 N3 O12 Si2 -","- C140 H204 N12 O48 Si8 -","4","1","","Pullin, Robert D. C.; Rathi, Akshat H.; Melikhova, Ekaterina Y.; Winter, Christian; Thompson, Amber L.; Donohoe, Timothy J.","Tethered Aminohydroxylation: Synthesis of the β-Amino Acid of Microsclerodermins A and B.","Organic letters","2013","15","21","5492","5495","10.1021/ol402638n","","","0.6889","synchrotron","","0.1155","0.0959","","0.2229","0.2043","0.2229","","","","","","1.0137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512590","10.9251","0.0003","7.6043","0.0002","11.6088","0.0003","90","","93.167","0.001","90","","962.96","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 O4 P -","- C21 H21 O4 P -","- C42 H42 O8 P2 -","2","1","","Zhou, Yougui; Wang, Shouliang; Wu, Wenhao; Li, Qing; He, Yuwei; Zhuang, Yue; Li, Lanning; Pang, Jiyan; Zhou, Zhongyuan; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Multifunctionalized Biaryls via Asymmetric Suzuki-Miyaura Coupling.","Organic letters","2013","15","21","5508","5511","10.1021/ol402666p","","","0.71073","MoKα","","0.0394","0.0343","","","0.0859","0.09","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512591","8.103","0.0003","23.0098","0.0008","7.3274","0.0002","90","","90","","90","","1366.18","0.08","98","","98","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Yang, Aigang; Si, Longlong; Shi, Zhenping; Tian, Li; Liu, Dong; Zhou, Demin; Proksch, Peter; Lin, Wenhan","Nitrosporeusines A and B, Unprecedented Thioester-Bearing Alkaloids from the ArcticStreptomyces nitrosporeus","Organic Letters","2013","15","20","5366","","10.1021/ol4026809","","","1.5418","CuKα","","0.059","0.0589","","","0.1675","0.1676","","","","","","1.192","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512592","8.58","0.0017","14.97","0.003","9.705","0.0019","90","","107.17","0.03","90","","1191","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N -","- C15 H10 F3 N -","- C60 H40 F12 N4 -","4","1","","Cheng, Yuanzheng; Jiang, Heng; Zhang, Yan; Yu, Shouyun","Isocyanide insertion: de novo synthesis of trifluoromethylated phenanthridine derivatives.","Organic letters","2013","15","21","5520","5523","10.1021/ol4026827","","","0.71073","MoKα","","0.1004","0.051","","","0.1324","0.1608","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512593","8.156","0.003","11.1","0.004","13.054","0.004","107.025","0.004","98.84","0.003","102.091","0.004","1075.3","0.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Peng, Jing; Huang, Xin; Zheng, Peng-Fei; Chen, Ying-Chun","Rauhut-currier-type reaction with morita-baylis-hillman carbonates of 2-cyclohexenone and alkylidenemalononitriles to access chromene derivatives.","Organic letters","2013","15","21","5534","5537","10.1021/ol402694b","","","0.71073","MoKα","","0.0758","0.0582","","","0.1268","0.1369","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512594","14.185","0.0013","5.9527","0.0006","23.417","0.002","90","","98.608","0.002","90","","1955","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl2 N2 O2 S -","- C19 H20 Cl2 N2 O2 S -","- C76 H80 Cl8 N8 O8 S4 -","4","1","","Fang, Xin; Li, Jun; Tao, Hai-Yan; Wang, Chun-Jiang","Highly Diastereoselective DABCO-Catalyzed [3 + 3]-Cycloaddition of 1,4-Dithiane-2,5-diol with Azomethine Imines.","Organic letters","2013","15","21","5554","5557","10.1021/ol402724h","","","0.71073","MoKα","","0.0846","0.0729","","","0.1771","0.1876","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512595","7.9941","0.0009","11.2961","0.0011","11.4612","0.0014","61.296","0.011","87.362","0.009","74.901","0.009","872.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 O2 S3 -","- C19 H14 O2 S3 -","- C38 H28 O4 S6 -","2","1","","Chowdhury, Sushobhan; Chanda, Tanmoy; Koley, Suvajit; Ramulu, B. Janaki; Jones, Raymond C. F.; Singh, Maya Shankar","Palladium Catalyzed Oxidative Coupling of α-Enolic Dithioesters: A New Entry to 3,4,5-Trisubstituted 1,2-Dithiolesviaa Double Activation Strategy","Organic Letters","2013","15","20","5386","","10.1021/ol402728y","","","0.71073","MoKα","","0.0799","0.0459","","","0.1106","0.1384","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512596","11.1874","0.0015","14.775","0.002","8.1374","0.001","90","","90","","90","","1345.1","0.3","90","0.5","90","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H14 Br2 O Te -","- C11 H14 Br2 O Te -","- C44 H56 Br8 O4 Te4 -","4","1","","Conner, Elizabeth S.; Crocker, Katherine E.; Fernando, Ranelka G.; Fronczek, Frank R.; Stanley, George G.; Ragains, Justin R.","Visible-light-promoted selenofunctionalization of alkenes.","Organic letters","2013","15","21","5558","5561","10.1021/ol402753u","","","0.71073","MoKα","","0.0524","0.0442","","","0.084","0.0871","","","","","","1.467","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512597","7.601","0.0015","15.479","0.003","14.354","0.003","90","","101.76","0.03","90","","1653.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","2","","Cheerlavancha, Raju; Lawer, Aggie; Cagnes, Marina; Bhadbhade, Mohan; Hunter, Luke","Sequential Deoxyfluorination Approach for the Synthesis of Protected α,β,γ-Trifluoro-δ-amino Acids.","Organic letters","2013","15","21","5562","5565","10.1021/ol402756e","","","0.71073","Synchrotron","","0.0346","0.0319","","","0.0785","0.0802","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512598","7.6333","0.0012","9.0831","0.0015","23.858","0.003","90","","90","","90","","1654.2","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","1","","Cheerlavancha, Raju; Lawer, Aggie; Cagnes, Marina; Bhadbhade, Mohan; Hunter, Luke","Sequential Deoxyfluorination Approach for the Synthesis of Protected α,β,γ-Trifluoro-δ-amino Acids.","Organic letters","2013","15","21","5562","5565","10.1021/ol402756e","","","0.71073","MoKα","","0.0483","0.0377","","","0.0826","0.0881","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512599","12.933","0.003","6.1668","0.0013","17.271","0.004","90","","104.696","0.004","90","","1332.4","0.5","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H19 Br Cl N O4 S -","- C25 H19 Br Cl N O4 S -","- C50 H38 Br2 Cl2 N2 O8 S2 -","2","1","","Wang, Shengzheng; Zhang, Yongqiang; Dong, Guoqiang; Wu, Shanchao; Zhu, Shiping; Miao, Zhenyuan; Yao, Jianzhong; Li, Hao; Li, Jian; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Asymmetric Synthesis of Chiral Dihydrothiopyrans via an Organocatalytic Enantioselective Formal Thio [3 + 3] Cycloaddition Reaction with Binucleophilic Bisketone Thioethers.","Organic letters","2013","15","21","5570","5573","10.1021/ol4027705","","","0.71073","MoKα","","0.0514","0.0398","","","0.1033","0.1094","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512600","9.087","0.001","9.8368","0.001","19.8075","0.0019","90","","92.304","0.002","90","","1769.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Chen, Ming; Sun, Ning; Liu, Yuanhong","Environmentally Benign Synthesis of Indeno[1,2-b]quinolines via an Intramolecular Povarov Reaction.","Organic letters","2013","15","21","5574","5577","10.1021/ol402775k","","","0.71073","MoKα","","0.0651","0.0439","","","0.115","0.1275","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512601","8.0687","0.0012","11.5041","0.0017","12.1379","0.0017","113.129","0.003","102.038","0.003","98.322","0.003","980.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C50 H42 N2 O6 -","2","1","","Chen, Ming; Sun, Ning; Liu, Yuanhong","Environmentally Benign Synthesis of Indeno[1,2-b]quinolines via an Intramolecular Povarov Reaction.","Organic letters","2013","15","21","5574","5577","10.1021/ol402775k","","","0.71073","MoKα","","0.0622","0.0493","","","0.1313","0.1445","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512602","11.9303","0.0015","14.2709","0.0019","11.7163","0.0016","90","","116.091","0.003","90","","1791.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N -","- C26 H17 N -","- C104 H68 N4 -","4","1","","Chen, Ming; Sun, Ning; Liu, Yuanhong","Environmentally Benign Synthesis of Indeno[1,2-b]quinolines via an Intramolecular Povarov Reaction.","Organic letters","2013","15","21","5574","5577","10.1021/ol402775k","","","0.71073","MoKα","","0.0788","0.0564","","","0.134","0.1491","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512603","19.2487","0.0015","10.3132","0.0008","13.9713","0.0011","90","","107.869","0.002","90","","2639.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N2 -","- C38 H24 N2 -","- C152 H96 N8 -","4","1","","Chen, Ming; Sun, Ning; Liu, Yuanhong","Environmentally Benign Synthesis of Indeno[1,2-b]quinolines via an Intramolecular Povarov Reaction.","Organic letters","2013","15","21","5574","5577","10.1021/ol402775k","","","0.71073","MoKα","","0.0839","0.047","","","0.135","0.1452","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513103","12.08","0.002","9.919","0.002","13.7","0.003","90","","90.45","0.03","90","","1641.5","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H11 Cl N2 O5 -","- C17 H11 Cl N2 O5 -","- C68 H44 Cl4 N8 O20 -","4","2","","Li, Xiangmin; Wang, Sinan; Li, Tengfei; Li, Jian; Li, Hao; Wang, Wei","Formation of Dihydronaphthalenes via Organocatalytic Enatioselective Michael-Aldol Cascade Reactions with Arylalkanes.","Organic letters","2013","15","22","5634","5637","10.1021/ol402489e","","","1.54178","CuKα","","0.0419","0.0413","","","0.1099","0.1106","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513104","10.2357","0.0006","8.6902","0.0005","14.9501","0.0009","90","","97.803","0.002","90","","1317.5","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H22 F6 N2 O3 S -","- C29 H22 F6 N2 O3 S -","- C58 H44 F12 N4 O6 S2 -","2","1","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","0.71073","MoKα","","0.0686","0.0485","","","0.1096","0.1396","","","","","","1.431","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513105","26.7471","0.0005","4.739","0.0001","19.892","0.0004","90","","105.737","0.002","90","","2426.89","0.09","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 F3 N2 O3 S -","- C28 H23 F3 N2 O3 S -","- C112 H92 F12 N8 O12 S4 -","4","1","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","1.5418","CuKα","","0.0476","0.0405","","","0.1038","0.1096","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513106","10.5208","0.0014","32.37","0.004","7.1715","0.0008","90","","109.702","0.001","90","","2299.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O5 S -","- C27 H23 N3 O5 S -","- C108 H92 N12 O20 S4 -","4","1","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","0.71073","MoKα","","0.0956","0.0523","","","0.1043","0.1431","","","","","","1.381","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513107","13.1149","0.0016","22.854","0.003","14.9779","0.0018","90","","113.998","0.002","90","","4101.2","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Cl F6 N3 O2 -","- C43 H52 Cl F6 N3 O2 -","- C172 H208 Cl4 F24 N12 O8 -","4","1","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","0.71073","MoKα","","0.1656","0.069","","","0.1336","0.1865","","","","","","1.294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513108","8.677","0.003","21.099","0.01","22.462","0.01","64.761","0.007","82.738","0.011","79.399","0.009","3651","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H54 Cl N3 O2 -","- C41 H54 Cl N3 O2 -","- C164 H216 Cl4 N12 O8 -","4","2","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","0.71073","MoKα","","0.0828","0.0567","","","0.1338","0.1517","","","","","","1.555","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513109","18.492","0.0006","22.225","0.0007","26.253","0.001","103.873","0.0018","95.074","0.0018","107.152","0.0019","9860.6","0.6","150","2","150","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C28 H40 F16 N8 Sb3 -","- C28 H41 F15.9354 N8 Sb3 -","- C280 H410 F159.354 N80 Sb30 -","10","5","","Betterley, Nolan M.; Surawatanawong, Panida; Prabpai, Samran; Kongsaeree, Palangpon; Kuhakarn, Chutima; Pohmakotr, Manat; Reutrakul, Vichai","Electrophilic Difluoro(phenylthio)methylation: Generation, Stability, and Reactivity of α-Fluorocarbocations.","Organic letters","2013","15","22","5666","5669","10.1021/ol402631t","","x-ray","0.71073","MoKα","","0.1213","0.0801","","","0.1946","0.2136","","","","","","0.971","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513110","8.057","0.003","9.258","0.003","17.387","0.005","80.687","0.01","79.096","0.011","87.104","0.013","1256.5","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N4 O7 -","- C26 H31 N4 O7 -","- C52 H62 N8 O14 -","2","1","","Zhang, Hongbo; Ning, Xin; Hang, Hang; Ru, Xuyan; Li, Haichen; Li, Yonghong; Wang, Lizhong; Zhang, Xiao; Yu, Shujing; Qiao, Yuanyuan; Wang, Xin; Wang, Peng George","Total Synthesis of Thaxtomin A and Its Stereoisomers and Findings of Their Biological Activities","Organic Letters","2013","15","22","5670","","10.1021/ol4026556","","","0.71073","MoKα","","0.0642","0.0436","","","0.1183","0.1313","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513111","14.897","0.003","6.8317","0.0014","20.38","0.004","90","","102.13","0.03","90","","2027.8","0.7","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C88 H88 N16 O24 -","4","1","","Zhang, Hongbo; Ning, Xin; Hang, Hang; Ru, Xuyan; Li, Haichen; Li, Yonghong; Wang, Lizhong; Zhang, Xiao; Yu, Shujing; Qiao, Yuanyuan; Wang, Xin; Wang, Peng George","Total Synthesis of Thaxtomin A and Its Stereoisomers and Findings of Their Biological Activities","Organic Letters","2013","15","22","5670","","10.1021/ol4026556","","","0.71073","MoKα","","0.0679","0.0483","","","0.1041","0.1168","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513112","9.5078","0.0002","10.0045","0.0003","22.4594","0.0006","90","","90","","90","","2136.36","0.1","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl O6 -","- C22 H31 Cl O6 -","- C88 H124 Cl4 O24 -","4","1","","Igarashi, Yasuhiro; Zhou, Tao; Sato, Seizo; Matsumoto, Takashi; Yu, Linkai; Oku, Naoya","Akaeolide, a carbocyclic polyketide from marine-derived streptomyces.","Organic letters","2013","15","22","5678","5681","10.1021/ol402661r","","","1.54187","CuKα","","","0.0364","","","","0.0918","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513113","6.1571","0.0012","7.7921","0.0016","31.207","0.006","90","","90","","90","","1497.2","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71073","MoKα","","0.0883","0.0734","","","0.2","0.2123","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513114","22.456","0.003","7.854","0.001","17.884","0.002","90","","111.823","0.009","90","","2928.2","0.7","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C136 H144 O32 -","8","2","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71075","MoKα","","0.0582","0.0433","","","0.1045","0.1123","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513115","12.112","0.005","8.925","0.004","15.461","0.007","90","","109.235","0.004","90","","1578","1.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br O4 -","- C17 H17 Br O4 -","- C68 H68 Br4 O16 -","4","1","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71073","MoKα","","0.0298","0.024","","","0.0634","0.065","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513116","7.798","0.002","9.143","0.003","21.383","0.006","88.942","0.007","81.965","0.008","85.381","0.01","1504.6","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Cl O4 -","- C17 H17 Cl O4 -","- C68 H68 Cl4 O16 -","4","2","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71073","MoKα","","0.0458","0.0323","","","0.0785","0.0815","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513117","12.112","0.005","8.925","0.004","15.461","0.007","90","","109.235","0.004","90","","1578","1.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br O4 -","- C17 H17 Br O4 -","- C68 H68 Br4 O16 -","4","1","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71073","MoKα","","0.0298","0.024","","","0.063","0.0646","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513119","10.1525","0.0016","11.2182","0.0019","18.201","0.004","90","","90.051","0.009","90","","2073","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2,4-difluorophenyl)-1-methyl-2-phenyl-3-p-tolyl-1H-pyrrolo[2,3-b]pyridine","","- C27 H20 F2 N2 -","- C27 H20 F2 N2 -","- C108 H80 F8 N8 -","4","1","","Kannaboina, Prakash; Anilkumar, K.; Aravinda, S.; Vishwakarma, Ram A.; Das, Parthasarathi","Direct C-2 Arylation of 7-Azaindoles: Chemoselective Access to Multiarylated Derivatives","Organic Letters","2013","15","22","5718","","10.1021/ol4027478","","","0.71073","MoKα","","0.1069","0.0651","","","0.1605","0.2033","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513120","6.3073","0.0005","11.2135","0.0008","32.412","0.002","90","","90","","90","","2292.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27.58 Br O8.29 -","- C23 H27.584 Br O8.292 -","- C92 H110.336 Br4 O33.168 -","4","1","","Riley, Andrew P.; Day, Victor W.; Navarro, Hern A.; Prisinzano, Thomas E.","Palladium-Catalyzed Transformations of Salvinorin A, a Neoclerodane Diterpene fromSalvia divinorum","Organic Letters","2013","15","23","5936","","10.1021/ol4027528","","","1.54178","CuKα","","0.0305","0.0297","","","0.082","0.0828","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513121","6.2995","0.0003","20.109","0.0011","21.2319","0.0012","90","","90","","90","","2689.6","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O2 -","- C34 H37 N O2 -","- C136 H148 N4 O8 -","4","1","","Kuwahara, Shunsuke; Nakamura, Masaya; Yamaguchi, Akira; Ikeda, Mari; Habata, Yoichi","Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines","Organic Letters","2013","15","22","5738","","10.1021/ol402767a","","","0.71073","MoKα","","0.0489","0.0442","","","0.1016","0.1043","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513122","5.8922","0.0002","22.0263","0.0009","11.1024","0.0004","90","","96.629","0.001","90","","1431.27","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 N O2 -","- C36 H39 N O2 -","- C72 H78 N2 O4 -","2","1","","Kuwahara, Shunsuke; Nakamura, Masaya; Yamaguchi, Akira; Ikeda, Mari; Habata, Yoichi","Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines","Organic Letters","2013","15","22","5738","","10.1021/ol402767a","","","0.71073","MoKα","","0.0457","0.0386","","","0.0934","0.0981","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513123","8.5443","0.0007","25.924","0.002","11.1528","0.0009","90","","96.665","0.001","90","","2453.7","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O2 -","- C32 H33 N O2 -","- C128 H132 N4 O8 -","4","2","","Kuwahara, Shunsuke; Nakamura, Masaya; Yamaguchi, Akira; Ikeda, Mari; Habata, Yoichi","Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines","Organic Letters","2013","15","22","5738","","10.1021/ol402767a","","","0.71073","MoKα","","0.0773","0.0519","","","0.0993","0.1118","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513124","37.404","0.003","6.7314","0.0005","10.8232","0.0009","90","","90.249","0.003","90","","2725.1","0.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H33 Cl N2 O3 S -","- C30 H33 Cl N2 O3 S -","- C120 H132 Cl4 N8 O12 S4 -","4","1","","Xu, Qing-Long; Zhuo, Chun-Xiang; Dai, Li-Xin; You, Shu-Li","Highly Enantioselective Synthesis of TetrahydrocarbolinesviaIridium-Catalyzed Intramolecular Friedel‒Crafts Type Allylic Alkylation Reactions","Organic Letters","2013","15","23","5909","","10.1021/ol4027717","","","0.71073","MoKα","","0.0599","0.0524","","","0.1194","0.1245","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513125","9.9583","0.0008","11.9802","0.0009","22.9491","0.0017","90","","90","","90","","2737.9","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cinchonine salt","Cinchonine, M.Rubin sample #4","","- C31 H35 Br N2 O3 -","- C31 H35 Br N2 O3 -","- C124 H140 Br4 N8 O12 -","4","1","","Ryabchuk, Pavel; Edwards, Andrew; Gerasimchuk, Nikolay; Rubina, Marina; Rubin, Michael","Dual Control of the Selectivity in the Formal Nucleophilic Substitution of Bromocyclopropanes en Route to Densely Functionalized, Chirally Rich Cyclopropyl Derivatives","Organic Letters","2013","15","23","6010","","10.1021/ol4027792","","","0.71073","MoKα","","0.0491","0.0356","","","0.0701","0.075","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513126","9.6721","0.0004","19.6189","0.0011","21.5843","0.0011","90","","90","","90","","4095.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pasha","Chiral-(R)-substituted cyclopropane","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C184 H232 N8 O16 -","8","2","","Ryabchuk, Pavel; Edwards, Andrew; Gerasimchuk, Nikolay; Rubina, Marina; Rubin, Michael","Dual Control of the Selectivity in the Formal Nucleophilic Substitution of Bromocyclopropanes en Route to Densely Functionalized, Chirally Rich Cyclopropyl Derivatives","Organic Letters","2013","15","23","6010","","10.1021/ol4027792","","","1.2399","synchrotron","","0.0771","0.0723","","","0.1828","0.1874","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513127","5.3111","0.0007","11.4886","0.0016","11.49","0.0017","104.545","0.004","103.338","0.002","93.62","0.003","654.83","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Cui, Chun-Xiao; Li, Hui; Yang, Xian-Jin; Yang, Jun; Li, Xiao-Qiang","One-Pot Synthesis of Functionalized 2,5-Dihydrofurans via an Amine-Promoted Petasis Borono‒Mannich Reaction","Organic Letters","2013","15","23","5944","","10.1021/ol402782f","","","0.71073","MoKα","","0.0575","0.0481","","","0.1289","0.1376","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513128","17.494","0.0015","10.8153","0.0008","27.104","0.002","90","","90","","90","","5128.2","0.7","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Br O6 S2 -","- C28 H25 Br O6 S2 -","- C224 H200 Br8 O48 S16 -","8","1","","Zheng, Jie; Huang, You; Li, Zhengming","Phosphine-Catalyzed Domino Reaction: An Efficient Method for the Synthesis of Bicyclo[3.2.0]heptenes Skeleton.","Organic letters","2013","15","22","5758","5761","10.1021/ol402799w","","","0.71075","MoKα","","0.0336","0.0301","","","0.0725","0.0743","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513129","14.1243","0.0004","6.7924","0.0002","7.1322","0.0002","90","","90","","90","","684.25","0.03","100","2","100","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","0.25","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.064","0.036","","","0.1","0.115","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513130","16.7078","0.0013","7.0015","0.0005","20.3649","0.0016","90","","90","","90","","2382.3","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.043","0.037","","","0.096","0.103","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513131","34.026","0.005","18.078","0.002","6.8131","0.0007","90","","90","","90","","4190.9","0.9","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H32 B2 O4 -","- C19 H32 B2 O4 -","- C152 H256 B16 O32 -","8","0.5","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.057","0.052","","","0.139","0.146","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513132","15.9505","0.0004","14.6663","0.0004","5.851","0.0001","90","","90","","90","","1368.75","0.06","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C19 H18 -","- C19 H18 -","- C76 H72 -","4","1","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.028","0.028","","","0.075","0.075","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513133","7.5615","0.0001","21.1348","0.0004","16.2978","0.0003","90","","90","","90","","2604.56","0.08","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H14 S2 -","- C15 H14 S2 -","- C120 H112 S16 -","8","2","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.024","0.023","","","0.058","0.059","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513134","11.8463","0.001","13.189","0.0011","17.3532","0.0014","90","","91.8","0.002","90","","2709.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(6-amino-1-(3-chlorophenyl)-5-cyano-3-phenylpyridin-2(1H)-ylidene)-4-methylbenzenesulfonamide","","- C29 H27 Cl N4 O3 S -","- C29 H27 Cl N4 O3 S -","- C116 H108 Cl4 N16 O12 S4 -","4","1","","Zhou, Fenguo; Liu, Xu; Zhang, Ning; Liang, Yongjiu; Zhang, Rui; Xin, Xiaoqing; Dong, Dewen","Copper-Catalyzed Three-Component Reaction: Solvent-Controlled Regioselective Synthesis of 4-Amino- and 6-Amino-2-iminopyridines.","Organic letters","2013","15","22","5786","5789","10.1021/ol4028368","","","0.71073","MoKα","","0.1255","0.0935","","","0.2491","0.2733","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513135","16.2081","0.0005","13.8771","0.0004","25.5319","0.0008","90","","97.52","0.002","90","","5693.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N4 O2 Ti -","- C32 H34 N4 O2 Ti -","- C256 H272 N32 O16 Ti8 -","8","1","","Chong, Eugene; Schafer, Laurel L.","2-Pyridonate Titanium Complexes for Chemoselectivity. Accessing Intramolecular Hydroaminoalkylation over Hydroamination","Organic Letters","2013","15","23","6002","","10.1021/ol402890m","","x-ray","0.71073","MoKα","","0.0592","0.0368","","","0.0796","0.0879","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513136","9.737","0.002","23.103","0.006","7.481","0.002","90","","110.674","0.009","90","","1574.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Chong, Eugene; Schafer, Laurel L.","2-Pyridonate Titanium Complexes for Chemoselectivity. Accessing Intramolecular Hydroaminoalkylation over Hydroamination","Organic Letters","2013","15","23","6002","","10.1021/ol402890m","","x-ray","0.71073","MoKα","","0.0378","0.0347","","","0.0872","0.0893","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513137","10.6913","0.0009","11.55","0.001","12.416","0.001","73.755","0.002","72.091","0.002","66.422","0.002","1315.33","0.19","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H39 N O2 S -","- C31 H39 N O2 S -","- C62 H78 N2 O4 S2 -","2","1","","Chong, Eugene; Schafer, Laurel L.","2-Pyridonate Titanium Complexes for Chemoselectivity. Accessing Intramolecular Hydroaminoalkylation over Hydroamination","Organic Letters","2013","15","23","6002","","10.1021/ol402890m","","x-ray","0.71073","MoKα","","0.0425","0.0384","","","0.104","0.1077","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513138","10.852","0.002","11.501","0.002","12.86","0.002","90","","94.93","0.004","90","","1599.1","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O2 S -","- C17 H25 N O2 S -","- C68 H100 N4 O8 S4 -","4","1","","Chong, Eugene; Schafer, Laurel L.","2-Pyridonate Titanium Complexes for Chemoselectivity. Accessing Intramolecular Hydroaminoalkylation over Hydroamination","Organic Letters","2013","15","23","6002","","10.1021/ol402890m","","x-ray","0.71073","MoKα","","0.0823","0.0594","","","0.1505","0.1648","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513139","12.4043","0.0004","11.4302","0.0004","17.7674","0.0006","90","","92.4761","0.0004","90","","2516.77","0.15","88","2","88","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H34 I N O3 Si -","- C24 H34 I N O3 Si -","- C96 H136 I4 N4 O12 Si4 -","4","2","","Schwarzwalder, Gregg M.; Steinhardt, Sarah E.; Pham, Hung V.; Houk, K. N.; Vanderwal, Christopher D.","Synthesis of the Tetracyclic Core of Exiguaquinol","Organic Letters","2013","15","23","6014","","10.1021/ol402905n","","","0.71073","MoKα","","0.0231","0.0219","","","0.0545","0.0551","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513140","6.486","0.003","7.921","0.003","27.059","0.011","90","","90.113","0.005","90","","1390.2","1","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Schwarzwalder, Gregg M.; Steinhardt, Sarah E.; Pham, Hung V.; Houk, K. N.; Vanderwal, Christopher D.","Synthesis of the Tetracyclic Core of Exiguaquinol","Organic Letters","2013","15","23","6014","","10.1021/ol402905n","","","0.71073","MoKα","","0.0787","0.0524","","","0.1104","0.1214","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513141","8.6643","0.0006","16.9926","0.0012","19.039","0.0014","90","","90","","90","","2803.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C128 H184 N8 O24 -","8","2","","Zeng, Chen; Zheng, Changwu; Zhao, Jingyun; Zhao, Gang","Divergent Total Syntheses of (−)-Lycopladine D, (+)-Fawcettidine, and (+)-Lycoposerramine Q","Organic Letters","2013","15","22","5846","","10.1021/ol402906y","","","0.71073","MoKα","","0.054","0.0419","","","0.0954","0.1012","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513142","5.775","0.0012","8.1191","0.0011","10.0943","0.0019","90","","93.44","0.02","90","","472.45","0.15","160","2","160","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H16 O5 -","- C8 H16 O5 -","- C16 H32 O10 -","2","1","","Schmalisch, Sebastian; Mahrwald, Rainer","Organocatalyzed direct glycosylation of unprotected and unactivated carbohydrates.","Organic letters","2013","15","22","5854","5857","10.1021/ol402914v","","","0.71073","MoKα","","0.0315","0.0301","","","0.0752","0.0758","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513143","13.699","0.0008","6.316","0.0003","15.3815","0.0007","90","","108.356","0.005","90","","1263.14","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Ngatimin, Marsewi; Frey, Raphael; Levens, Alison; Nakano, Yuji; Kowalczyk, Marcin; Konstas, Kristina; Hutt, Oliver E.; Lupton, David W.","Iodobenzene-Catalyzed Oxabicyclo[3.2.1]octane and [4.2.1]Nonane Synthesis via Cascade C‒O/C‒C Formation","Organic Letters","2013","15","22","5858","","10.1021/ol4029308","","","0.71073","MoKα","","0.0496","0.0386","","","0.0836","0.0889","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513144","14.2105","0.0009","12.8932","0.0008","7.697","0.0005","90","","102.363","0.007","90","","1377.53","0.16","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Ngatimin, Marsewi; Frey, Raphael; Levens, Alison; Nakano, Yuji; Kowalczyk, Marcin; Konstas, Kristina; Hutt, Oliver E.; Lupton, David W.","Iodobenzene-Catalyzed Oxabicyclo[3.2.1]octane and [4.2.1]Nonane Synthesis via Cascade C‒O/C‒C Formation","Organic Letters","2013","15","22","5858","","10.1021/ol4029308","","","0.71073","MoKα","","0.0555","0.0429","","","0.1032","0.1125","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513145","7.9684","0.0017","11.671","0.002","18.419","0.004","90","","90","","90","","1713","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","","Yin, Hui-Ying; Liu, Meng-Yuan; Shao, Li-Xiong","Two-Component, Three-Molecule Reactions between 2,3-Dihydroinden-1-ones and Aryl Chlorides Catalyzed by anN-Heterocyclic Carbene‒Palladium(II)‒1-Methylimidazole Complex","Organic Letters","2013","15","23","6042","","10.1021/ol4029447","","","0.71073","MoKα","","0.1004","0.0871","","","0.2374","0.2471","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513146","11.173","0.014","8.197","0.013","14.575","0.016","90","","112.89","0.008","90","","1230","3","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O2 S -","- C13 H11 N O2 S -","- C52 H44 N4 O8 S4 -","4","1","","Singh, Neetu; Singh, Rahul; Raghuvanshi, Dushyant S.; Singh, Krishna Nand","Convenient MW-Assisted Synthesis of Unsymmetrical Sulfides Using Sulfonyl Hydrazides as Aryl Thiol Surrogate","Organic Letters","2013","15","22","5874","","10.1021/ol402948k","","","0.71073","MoKα","","0.1009","0.0848","","","0.2173","0.2402","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513147","7.3509","0.0002","13.236","0.0004","17.3774","0.0005","90","","96.212","0.001","90","","1680.83","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.1286","0.0566","","","0.1788","0.2477","","","","","","0.806","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513148","10.3005","0.0011","13.8761","0.0015","14.074","0.003","109.27","0.005","103.328","0.005","106.93","0.004","1693.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N3 S -","- C18 H14 Cl N3 S -","- C72 H56 Cl4 N12 S4 -","4","2","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.0676","0.0448","","","0.1347","0.1594","","","","","","0.898","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513149","10.441","0.002","12.297","0.003","14.244","0.003","90","","92.363","0.003","90","","1827.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl2 N3 S -","- C18 H13 Cl2 N3 S -","- C72 H52 Cl8 N12 S4 -","4","1","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.105","0.0658","","","0.18","0.2093","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513150","8.837","0.0019","15.942","0.004","14.955","0.003","90","","107.099","0.003","90","","2013.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 S -","- C24 H19 N3 S -","- C96 H76 N12 S4 -","4","1","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.0736","0.0463","","","0.1248","0.1474","","","","","","0.894","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513151","7.4883","0.0002","9.0691","0.0003","11.6776","0.0004","90.666","0.001","103.398","0.001","100.053","0.001","758.5","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Cl N2 S -","- C18 H11 Cl N2 S -","- C36 H22 Cl2 N4 S2 -","2","1","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.0489","0.0448","","","0.1656","0.1723","","","","","","1.446","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513152","12.0469","0.0007","12.5034","0.001","15.3775","0.0008","90","","90","","90","","2316.3","0.3","99.1","","99.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O7 -","- C26 H30 O7 -","- C104 H120 O28 -","4","1","","Yuan, Yafei; Feng, Yu; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","A Botryane Metabolite with a New Hexacyclic Skeleton from an Entomogenous FungusHypocreasp.","Organic Letters","2013","15","23","6050","","10.1021/ol402953k","","","1.5418","CuKα","","0.0337","0.0325","","","0.0852","0.0864","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513153","9.255","0.0008","8.8201","0.0007","10.2868","0.0008","90","","107.491","0.008","90","","800.89","0.12","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C34 H42 N2 O8 S2 -","2","1","","Liu, Yong; Kang, Tai-Ran; Liu, Quan-Zhong; Chen, Lian-Mei; Wang, Ya-Chuan; Liu, Jie; Xie, Yong-Mei; Yang, Jin-Liang; He, Long","Enantioselective [4 + 2] Cycloaddition of CyclicN-Sulfimines and Acyclic Enones or Ynones: A Concise Route to Sulfamidate-Fused 2,6-Disubstituted Piperidin-4-ones","Organic Letters","2013","15","23","6090","","10.1021/ol402977w","","","0.71073","MoKα","","0.0434","0.0386","","","0.0925","0.0975","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513154","8.684","0.003","9.003","0.003","10.901","0.004","88.522","0.006","81.148","0.007","76.868","0.005","820.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C38 H34 Br2 O4 -","2","1","","Li, Xiao-Hui; Zheng, Bao-Hui; Ding, Chang-Hua; Hou, Xue-Long","Enantioselective Synthesis of 2,3-Disubstituted Indanones via Pd-Catalyzed Intramolecular Asymmetric Allylic Alkylation of Ketones","Organic Letters","2013","15","23","6086","","10.1021/ol402980v","","","0.71073","MoKα","","0.0712","0.0506","","","0.1222","0.1286","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513155","7.8071","0.0018","17.361","0.005","6.722","0.002","90","","93.918","0.004","90","","909","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates","Organic Letters","2013","15","23","6098","","10.1021/ol402990j","","","0.71073","MoKα","","0.0497","0.0433","","","0.1077","0.1109","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513156","12.4044","0.0005","10.3305","0.0004","9.007","0.0004","90","","102.544","0.002","90","","1126.64","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates","Organic Letters","2013","15","23","6098","","10.1021/ol402990j","","","0.71073","MoKα","","0.0416","0.0358","","","0.0811","0.0841","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513157","10.6801","0.0004","8.9717","0.0003","26.3836","0.001","90","","90","","90","","2528.04","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates","Organic Letters","2013","15","23","6098","","10.1021/ol402990j","","","0.56086","AgKα","","0.0407","0.0348","","","0.0865","0.0893","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513158","14.9906","0.0009","7.8091","0.0004","14.0672","0.0008","90","","92.142","0.005","90","","1645.6","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Sun, Lang; Zhu, Yuanxun; Lu, Ping; Wang, Yanguang","Cu-Catalyzed 1,2-Dihydroisoquinolines Synthesis fromo-Ethynyl Benzacetals and Sulfonyl Azides","Organic Letters","2013","15","22","5894","","10.1021/ol402996x","","","0.71073","MoKα","","0.0609","0.042","","","0.0997","0.1123","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513159","11.6058","0.001","7.0455","0.0005","21.6906","0.0016","90","","95.904","0.007","90","","1764.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cl2 N O4 S -","- C17 H15 Cl2 N O4 S -","- C68 H60 Cl8 N4 O16 S4 -","4","1","","Sun, Lang; Zhu, Yuanxun; Lu, Ping; Wang, Yanguang","Cu-Catalyzed 1,2-Dihydroisoquinolines Synthesis fromo-Ethynyl Benzacetals and Sulfonyl Azides","Organic Letters","2013","15","22","5894","","10.1021/ol402996x","","","0.71073","MoKα","","0.0578","0.0392","","","0.0889","0.1005","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513160","9.9318","0.0007","12.1574","0.0009","15.0926","0.001","90","","104.533","0.007","90","","1764","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N4 O13 S2 -","- C34 H34 N4 O13 S2 -","- C68 H68 N8 O26 S4 -","2","0.5","","Sun, Lang; Zhu, Yuanxun; Lu, Ping; Wang, Yanguang","Cu-Catalyzed 1,2-Dihydroisoquinolines Synthesis fromo-Ethynyl Benzacetals and Sulfonyl Azides","Organic Letters","2013","15","22","5894","","10.1021/ol402996x","","","0.71073","MoKα","","0.0896","0.0668","","","0.1832","0.2054","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513161","11.62","0.008","8.989","0.008","15.81","0.008","90","","96.74","0.01","90","","1640","2","292","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C68 H100 N12 O8 -","4","1","","Mercalli, Valentina; Meneghetti, Fiorella; Tron, Gian Cesare","Isocyanide-Mediated Multicomponent Synthesis of C-Oximinoamidines","Organic Letters","2013","15","22","5902","","10.1021/ol403062m","","","0.71073","MoKα","","0.1171","0.078","","","0.1916","0.2178","","","","","","0.988","","","","has coordinates,has disorder","201210","2020-10-21","18:00:00",""
"1513162","15.3408","0.0008","44.262","0.002","5.177","0.0003","90","","90","","90","","3515.3","0.3","103","2","103","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C144 H288 O32 -","16","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-Annulation by an SN2‒Conjugate Addition Sequence: Stereoselective Synthesis of Highly Substituted Carbocyles","Organic Letters","2013","15","23","6111","","10.1021/ol4032842","","","0.71073","MoKα","","0.0373","0.0347","","","0.0889","0.0911","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513230","7.9327","0.0014","11.455","0.002","14.741","0.003","90","","91.991","0.004","90","","1338.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 N O2 Si -","- C33 H33 N O2 Si -","- C66 H66 N2 O4 Si2 -","2","1","","Clark, Robert W.; Deaton, T. Maxwell; Zhang, Yan; Moore, Maggie I.; Wiskur, Sheryl L.","Silylation-Based Kinetic Resolution of α-Hydroxy Lactones and Lactams.","Organic letters","2013","15","24","6132","6135","10.1021/ol402982w","","","0.71073","MoKα","","0.0598","0.0466","","","0.0851","0.0907","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513231","10.1046","0.0007","10.2534","0.0007","27.1451","0.0019","90","","98.586","0.002","90","","2780.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Br N O5 -","- C29 H30 Br N O5 -","- C116 H120 Br4 N4 O20 -","4","1","","Ma, Chaoqun; Xing, Dong; Zhai, Changwei; Che, Jiuwei; Liu, Shunying; Wang, Jue; Hu, Wenhao","Iron Porphyrin-Catalyzed Three-Component Reaction of Ethyl Diazoacetate with Aliphatic Amines and β,γ-Unsaturated α-Keto Esters.","Organic letters","2013","15","24","6140","6143","10.1021/ol403011r","","","0.71073","MoKα","","0.0775","0.0563","","","0.1423","0.1569","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513232","20.2766","0.001","11.0112","0.0006","13.5295","0.0006","90","","123.314","0.002","90","","2524.3","0.2","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H10 I N O3 -","- C13 H10 I N O3 -","- C104 H80 I8 N8 O24 -","8","2","","Murata, Yusuke; Takahashi, Masaki; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Construction of Spiro-Fused 2-Oxindole/α-Methylene- γ-Butyrolactone Systems with Extremely High Enantioselectivity via Indium-Catalyzed Amide Allylation of N-Methyl Isatin.","Organic letters","2013","15","24","6182","6185","10.1021/ol403014u","","","1.54178","CuKα","","0.0729","0.0716","","","0.1939","0.196","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513233","4.5247","0.0002","28.9366","0.0017","9.1022","0.0006","90","","99.297","0.006","90","","1176.09","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(5-cyanooxazol-2-yl)benzoate","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Haas, Diana; Mosrin, Marc; Knochel, Paul","Regioselective Functionalization of the Oxazole Scaffold Using TMP-Bases of Mg and Zn.","Organic letters","2013","15","24","6162","6165","10.1021/ol403019c","","","0.71069","MoKα","","0.0993","0.0739","","","0.1278","0.138","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513234","11.138","0.003","7.0903","0.0018","14.392","0.004","90","","95.354","0.004","90","","1131.6","0.5","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C56 H50 N2 O6 S2 -","2","1","","Ma, Chao; Gu, Jing; Teng, Bin; Zhou, Qing-Qing; Li, Rui; Chen, Ying-Chun","1-azadienes as regio- and chemoselective dienophiles in aminocatalytic asymmetric diels-alder reaction.","Organic letters","2013","15","24","6206","6209","10.1021/ol4030474","","","0.71073","MoKα","","0.0419","0.0374","","","0.0824","0.0858","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1513235","7.3343","0.0002","20.6369","0.0004","7.8664","0.0002","90","","104.127","0.002","90","","1154.63","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 F3 N O11 -","- C21 H26 F3 N O11 -","- C42 H52 F6 N2 O22 -","2","1","","Malik, Michał; Witkowski, Grzegorz; Ceborska, Magdalena; Jarosz, Sławomir","Synthesis of Polyhydroxylated Quinolizidines and Azaspiro[4.5]decanes from d-Xylose.","Organic letters","2013","15","24","6214","6217","10.1021/ol403063v","","","1.54184","CuKα","","0.0284","0.0278","","","0.0743","0.0746","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513236","8.891","0.004","16.505","0.007","10.648","0.005","90","","101.244","0.007","90","","1532.6","1.2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F3 N O2 S -","- C16 H12 F3 N O2 S -","- C64 H48 F12 N4 O8 S4 -","4","1","","Sun, Xiaoqian; Lyu, Youran; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","Formation of Functionalized 2H-Azirines through PhIO-Mediated Trifluoroethoxylation and Azirination of Enamines.","Organic letters","2013","15","24","6222","6225","10.1021/ol4030716","","","0.71073","MoKα","","0.0801","0.0714","","","0.2508","0.256","","","","","","1.191","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513237","6.2651","0.0007","11.9132","0.0012","14.2495","0.0015","92.588","0.002","94.143","0.002","97.956","0.002","1048.92","0.19","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C29 H26 -","- C29 H26 -","- C58 H52 -","2","1","","Sinu, C. R.; Suresh, Eringathodi; Nair, Vijay","N-heterocyclic carbene catalyzed reaction of cinnamils leading to the formation of 2,3,8-triaryl vinyl fulvenes: an uncommon transformation.","Organic letters","2013","15","24","6230","6233","10.1021/ol4030748","","","0.71073","MoKα","","0.0461","0.0429","","","0.1197","0.1233","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513238","11.5918","0.0018","11.6391","0.0017","16.613","0.003","98.401","0.003","104.892","0.003","91.752","0.003","2137.4","0.6","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H17 Cl3 -","- C26 H17 Cl3 -","- C104 H68 Cl12 -","4","2","","Sinu, C. R.; Suresh, Eringathodi; Nair, Vijay","N-heterocyclic carbene catalyzed reaction of cinnamils leading to the formation of 2,3,8-triaryl vinyl fulvenes: an uncommon transformation.","Organic letters","2013","15","24","6230","6233","10.1021/ol4030748","","","0.71073","MoKα","","0.1163","0.0938","","","0.1908","0.2022","","","","","","1.215","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513239","14.544","0.011","26.44","0.019","25.33","0.03","90","","93.68","0.02","90","","9720","15","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H46 B2 S -","- C54 H46 B2 S -","- C432 H368 B16 S8 -","8","4","","Shuto, Ayumi; Kushida, Tomokatsu; Fukushima, Tatsuya; Kaji, Hironori; Yamaguchi, Shigehiro","π-Extended Planarized Triphenylboranes with Thiophene Spacers.","Organic letters","2013","15","24","6234","6237","10.1021/ol403084x","","","0.7107","MoKa","","0.0988","0.088","","","0.2447","0.2571","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513240","15.74","0.07","8.443","0.017","16.49","0.04","90","","101.67","0.08","90","","2146","12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 B2 S2 -","- C58 H48 B2 S2 -","- C116 H96 B4 S4 -","2","0.5","","Shuto, Ayumi; Kushida, Tomokatsu; Fukushima, Tatsuya; Kaji, Hironori; Yamaguchi, Shigehiro","π-Extended Planarized Triphenylboranes with Thiophene Spacers.","Organic letters","2013","15","24","6234","6237","10.1021/ol403084x","","","0.7107","MoKa","","0.0957","0.0708","","","0.1789","0.2005","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513241","14.8863","0.0002","25.4284","0.0004","6.6202","0.0001","90","","90","","90","","2505.98","0.06","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H44 O3 Si -","- C24 H44 O3 Si -","- C96 H176 O12 Si4 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Total synthesis of (+)-cassaine utilizing an anionic polycyclization strategy.","Organic letters","2013","15","24","6270","6273","10.1021/ol4030937","","","0.71073","MoKα","","0.048","0.0444","","","0.1221","0.1261","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513242","7.6211","0.0019","9.961","0.002","12.646","0.003","102.593","0.019","106.1","0.02","96.22","0.02","885.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 F3 O2 S2 -","- C18 H15 F3 O2 S2 -","- C36 H30 F6 O4 S4 -","2","1","","Liu, Xiao; Pan, Ling; Dong, Jinhuan; Xu, Xianxiu; Zhang, Qian; Liu, Qun","1,3-Carbothiolation of 4-(Trifluoromethyl)-p-Quinols: A New Access to Functionalized (Trifluoromethyl)arenes.","Organic letters","2013","15","24","6242","6245","10.1021/ol403096g","","","0.71073","MoKα","","0.0993","0.074","","","0.1974","0.2309","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513243","9.275","0.0003","5.21","0.0001","30.144","0.0008","90","","92.211","0.002","90","","1455.56","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F3 O S -","- C16 H13 F3 O S -","- C64 H52 F12 O4 S4 -","4","1","","Liu, Xiao; Pan, Ling; Dong, Jinhuan; Xu, Xianxiu; Zhang, Qian; Liu, Qun","1,3-Carbothiolation of 4-(Trifluoromethyl)-p-Quinols: A New Access to Functionalized (Trifluoromethyl)arenes.","Organic letters","2013","15","24","6242","6245","10.1021/ol403096g","","","0.71069","MoKα","","0.0808","0.0665","","","0.18","0.2036","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513244","11.248","0.005","10.106","0.005","11.44","0.005","90","","104.724","0.011","90","","1257.7","1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 Br O5 -","- C28 H31 Br O5 -","- C56 H62 Br2 O10 -","2","1","","Hong, Bor-Cherng; Lin, Cheng-Wei; Liao, Wei-Kai; Lee, Gene-Hsiang","Sequential asymmetric catalysis in Michael-Michael-Michael-aldol reactions: merging organocatalysis with photoredox catalysis in a one-pot enantioselective synthesis of highly functionalized decalines bearing a quaternary carbon stereocenter.","Organic letters","2013","15","24","6258","6261","10.1021/ol403113c","","","0.71073","MoKα","","0.1084","0.0751","","","0.135","0.1475","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513245","44.087","0.004","7.0736","0.0007","6.2427","0.0005","90","","90","","90","","1946.8","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","1","","Cornella, Josep; Martin, Ruben","Ni-Catalyzed Stereoselective Arylation of Inert C-O bonds at Low Temperatures.","Organic letters","2013","15","24","6298","6301","10.1021/ol4031815","","","0.71073","MoKα","","0.1053","0.076","","","0.1873","0.2004","","","","","","1.147","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513246","7.6358","0.0017","5.6352","0.0006","11.9802","0.0019","90","","101.788","0.01","90","","504.63","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O -","- C14 H12 O -","- C28 H24 O2 -","2","0.5","","Cornella, Josep; Martin, Ruben","Ni-Catalyzed Stereoselective Arylation of Inert C-O bonds at Low Temperatures.","Organic letters","2013","15","24","6298","6301","10.1021/ol4031815","","","0.71073","MoKα","","0.0683","0.061","","","0.1663","0.1705","","","","","","1.176","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513247","6.2622","0.001","10.5075","0.0016","12.874","0.002","82.787","0.012","80.414","0.012","73.332","0.011","797.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","3a","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","","Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Feng, Huijin; Li, Yuanchao","Rhodium-catalyzed direct addition of aryl C-h bonds to nitrosobenzenes at room temperature.","Organic letters","2013","15","24","6302","6305","10.1021/ol403187t","","","0.71073","MoKα","","0.0915","0.0419","","","0.0828","0.1002","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513248","14.893","0.015","8.972","0.009","7.742","0.008","90","","90","","90","","1034.5","1.8","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Markey, Sophie J.; Lewis, William; Moody, Christopher J.","A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes.","Organic letters","2013","15","24","6306","6308","10.1021/ol403191k","","","0.71073","MoKα","","0.0832","0.0658","","","0.1673","0.1898","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513249","16.051","0.003","4.7507","0.0006","15.792","0.003","90","","119.12","0.02","90","","1052","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Markey, Sophie J.; Lewis, William; Moody, Christopher J.","A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes.","Organic letters","2013","15","24","6306","6308","10.1021/ol403191k","","","1.5418","CuKα","","0.0443","0.039","","","0.1024","0.1074","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513250","9.9779","0.0007","5.7825","0.0003","18.2629","0.0015","90","","101.762","0.008","90","","1031.59","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Markey, Sophie J.; Lewis, William; Moody, Christopher J.","A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes.","Organic letters","2013","15","24","6306","6308","10.1021/ol403191k","","","1.5418","CuKα","","0.0382","0.0358","","","0.0872","0.089","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514101","4.388","0.001","4.388","0.001","2.865","0.001","90","","90","","90","","55.16","0.03","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Manganese(IV) Oxide - Beta","Pyrolusite","- Mn O2 -","- Mn O2 -","- Mn2 O4 -","2","0.125","","Kondrashev, Yu. D.; Zaslavskii, A. I.","The structure of the modifications of manganese oxide","Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya","1951","15","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1521518","10.64","","10.64","","10.64","","90","","90","","90","","1204.55","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","K8 (H4 Nb4 W8 O36 (O2)4) (H2 O)18","","- K7.9998 Nb3.996 O44 W8.004 -","- K7.9998 Nb3.996 O44 W8.004 -","- K7.9998 Nb3.996 O44 W8.004 -","1","0.0208333","","Lin, B.-F.; Xie, G.-Y.; Zhu, S.-S.; Chen, J.; Hu, C.-H.","Preparation and structure determination of potassium peroxyniobatungstate","Wuji Huaxue Xuebao","1999","15","","78","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","141730","2020-10-21","18:00:00",""
"1522198","5.05","","5.05","","5.05","","90","","90","","90","","128.788","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Ga (Nb0.6 V0.4)3","","- Ga Nb1.8 V1.2 -","- Ga Nb1.8 V1.2 -","- Ga2 Nb3.6 V2.4 -","2","0.0416667","","Kreidenko, F.S.; Markiv, V.Ya.; Sokolovskaya, E.M.","Phase equilibria in the Nb-V-Ga system at 800 deg. C","Vestnik Moskovskogo Universiteta, Khimiya","1974","15","","748","750","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522349","4.6264","","4.6264","","4.6264","","90","","90","","90","","99.022","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pu0.989 Sc0.011)","","- Pu0.989 Sc0.011 -","- Pu0.989 Sc0.011 -","- Pu3.956 Sc0.044 -","4","0.0208333","","Land, C.C.; Johnson, K.A.; Ellinger, F.H.","The plutonium-silicon system alloys","Journal of Nuclear Materials","1965","15","","23","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","142571","2020-10-21","18:00:00",""
"1522622","2.808","","2.808","","4.5","","90","","90","","120","","30.728","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mo0.576 Pt0.424)","","- Mo0.576 Pt0.424 -","- Mo0.576 Pt0.424 -","- Mo1.152 Pt0.848 -","2","0.0833333","","Ocken, H.; van Vucht, J.H.N.","Phase equilibria and superconductivity in the Mo-Pt system","Journal of the Less-Common Metals","1968","15","","193","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","142883","2020-10-21","18:00:00",""
"1522718","3.796","","3.796","","8.704","","90","","90","","90","","125.421","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ga3 Ta -","- Ga3 Ta -","- Ga6 Ta2 -","2","0.0625","","Popova, S.V.; Putro, V.G.","Crystal structure of alloys of the system Ta-Ga obtained at high pressure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1979","15","","1210","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522719","7.681","","7.681","","5.28","","90","","90","","120","","269.774","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Ga3 Ta5 -","- Ga3 Ta5 -","- Ga6 Ta10 -","2","0.0833333","","Popova, S.V.; Putro, V.G.","Crystal structure of alloys of the system Ta-Ga obtained at high pressure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1979","15","","1210","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522805","7.398","","7.398","","7.398","","90","","90","","90","","404.896","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Hf V2 -","- Hf V2 -","- Hf8 V16 -","8","0.0416667","","Rudy, E.; Windisch, S.","The phase diagams hafnium-vanadium and hafnium-chromium","Journal of the Less-Common Metals","1968","15","","13","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522986","7.39","","7.39","","7.39","","90","","90","","90","","403.583","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf0.84 Nb0.16) V2","","- Hf0.84 Nb0.16 V2 -","- Hf0.84 Nb0.16 V2 -","- Hf6.72 Nb1.28 V16 -","8","0.0416667","","Takei, H.; Oota, A.; Yamawaki, M.; Noguchi, S.","Superconductivity and structural transformation in V2 Hf- based C15 pseudobinary compounds","Journal of Physics F","1985","15","","2333","2338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522987","7.395","","7.395","","7.395","","90","","90","","90","","404.403","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf0.87 Ta0.13) V2","","- Hf0.87 Ta0.13 V2 -","- Hf0.87 Ta0.13 V2 -","- Hf6.96 Ta1.04 V16 -","8","0.0416667","","Takei, H.; Yamawaki, M.; Noguchi, S.; Oota, A.","Superconductivity and structural transformation in V2 Hf- based C15 pseudobinary compounds","Journal of Physics F","1985","15","","2333","2338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522988","7.429","","7.429","","7.429","","90","","90","","90","","410.007","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf0.8 Ti0.2) V2","","- Hf0.8 Ti0.2 V2 -","- Hf0.8 Ti0.2 V2 -","- Hf6.4 Ti1.6 V16 -","8","0.0416667","","Takei, H.; Yamawaki, M.; Noguchi, S.; Oota, A.","Superconductivity and structural transformation in V2 Hf- based C15 pseudobinary compounds","Journal of Physics F","1985","15","","2333","2338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522989","3.015","","3.015","","4.823","","90","","90","","120","","37.968","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Yb -","- Yb -","- Yb2 -","2","0.0833333","","Takemura, K.; Syassen, K.","Pressure-volume relations and polymorphism of europium and ytterbium to 30 GPa","Journal of Physics F","1985","15","","543","559","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522999","3.87","","3.87","","3.87","","90","","90","","90","","57.961","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Mn0.27 Zn0.73)","","- Mn0.27 Zn0.73 -","- Mn0.27 Zn0.73 -","- Mn1.08 Zn2.92 -","4","0.0208333","","Tezuka, S.; Sakai, S.; Nakagawa, Y.","Ferromagnetism of Mn-Zn alloy","Journal of the Physical Society of Japan","1960","15","","931","931","","","","","","","","","","","","","","","","","","","","","","has coordinates","143305","2020-10-21","18:00:00",""
"1523000","2.75","","2.75","","4.428","","90","","90","","120","","29","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mn0.27 Zn0.73)","","- Mn0.27 Zn0.73 -","- Mn0.27 Zn0.73 -","- Mn0.54 Zn1.46 -","2","0.0833333","","Tezuka, S.; Sakai, S.; Nakagawa, Y.","Ferromagnetism of Mn-Zn alloy","Journal of the Physical Society of Japan","1960","15","","931","931","","","","","","","","","","","","","","","","","","","","","","has coordinates","143307","2020-10-21","18:00:00",""
"1523173","4.9231","","4.9231","","4.9231","","90","","90","","90","","119.321","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ge Pb7)0.125","","- Ge0.125 Pb0.875 -","- Ge0.125 Pb0.875 -","- Ge0.5 Pb3.5 -","4","0.0208333","","Akhtar, D.; Goel, T.C.; Vankar, V.D.; Chopra, K.L.","Formation of metastable solid solutions in the Pb-Ge system","Journal of Materials Science","1980","15","","2720","2728","","","","","","","","","","","","","","","","","","","","","","has coordinates","143786","2020-10-21","18:00:00",""
"1523445","2.6591","","2.6591","","4.9922","","90","","90","","120","","30.57","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ga0.0196 Zn0.9804 -","- Ga0.0196 Zn0.9804 -","- Ga0.0392 Zn1.9608 -","2","0.0833333","","Davies, D.A.; Owen, E.A.","An X-ray investigation on the solid solutions of certain elements in zinc","British Journal of Applied Physics","1964","15","","1309","1314","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523806","2.9083","","2.9083","","2.9083","","90","","90","","90","","24.599","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ni Zn -","- Ni Zn -","- Ni Zn -","1","0.0208333","","Heike, W.; Schramm, J.; Vaupel, O.","Zu dem System Nickel-Zink","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1936","15","","655","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523830","3.53","","3.53","","3.53","","90","","90","","90","","43.987","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Ga Pu)","","- Ga Pu -","- Ga Pu -","- Ga Pu -","1","0.0104167","","Hocheid, B.; Depres, J.; Tanon, A.","Observations sur la structure des composes intermetallique des systemes binaires Pu-Ga et Pu-In","Journal of Nuclear Materials","1965","15","","241","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523874","4.904","","4.904","","3.52","","90","","90","","120","","73.312","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Hg2 Nd -","- Hg2 Nd -","- Hg2 Nd -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of rare earths with the IB, IIB, and IIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523875","4.896","","4.896","","3.534","","90","","90","","120","","73.363","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Hg2 Yb -","- Hg2 Yb -","- Hg2 Yb -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of rare earths with the IB, IIB, and IIB group elements and their crystal crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523955","5.651","","5.651","","7.392","","90","","90","","120","","204.429","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K3 V (V O4)2","","- K3 O8 V3 -","- K3 O8 V3 -","- K3 O8 V3 -","1","0.0833333","","Abriel, W.; Rau, F.; Range, K.J.","High pressure synthesis of K3 V (V O4)2, a new compound with Glaserite type structure","Materials Research Bulletin","1980","15","","1099","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","144585","2020-10-21","18:00:00",""
"1524071","10.912","","10.912","","7.774","","90","","90","","120","","801.648","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ba5 (Re O5)3 O2","","- Ba5 O16 Re3 -","- Ba5 O16 Re3 -","- Ba10 O32 Re6 -","2","0.166667","","Besse, J.P.; Chevalier, R.; Baud, G.; Zarembowitch, J.","Mise en evidence de l'ion (O2)(-) dans l'apatite au rhenium Ba5 (Re O5)3 O2","Materials Research Bulletin","1980","15","","1255","1261","","","","","","","","","","","","","","","","","","","","","","has coordinates","144732","2020-10-21","18:00:00",""
"1524100","5.144","","5.7709","","4.8355","","90","","91.13","","90","","143.516","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","","","- In Nb O4 -","- In Nb O4 -","- In2 Nb2 O8 -","2","0.5","","Brixner, L.H.; Chen, H.-Y.","On the structural and luminescent properties of the In Ta(1-x) Nb(x) O4 system","Materials Research Bulletin","1980","15","","607","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524178","2.741","","2.741","","3.644","","90","","90","","90","","27.378","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Cu0.25 Fe0.5 Ni0.25) Pt","","- Cu0.25 Fe0.5 Ni0.25 Pt -","- Cu0.25 Fe0.5 Ni0.25 Pt -","- Cu0.25 Fe0.5 Ni0.25 Pt -","1","0.0625","","Cabri, J.C.; Rosenzweig, A.; Pinch, W.W.","Platin-group minerals from Onverwacht. I. Pt - Fe - Cu - Ni alloys","Canadian Mineralogist","1977","15","","380","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524247","2.6773","","2.6773","","4.8317","","90","","90","","120","","29.993","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Cu0.025 Zn0.975)","","- Cu0.025 Zn0.975 -","- Cu0.025 Zn0.975 -","- Cu0.05 Zn1.95 -","2","0.0833333","","Davies, D.A.; Owen, E.A.","An X-ray investigation on the solid solutions of certain elements in zinc","British Journal of Applied Physics","1964","15","","1309","1314","","","","","","","","","","","","","","","","","","","","","","has coordinates","144954","2020-10-21","18:00:00",""
"1524251","3.784","","3.784","","12.624","","90","","90","","90","","180.759","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La2 Li0.5 Co0.5 O4","","- Co0.5 La2 Li0.5 O4 -","- Co0.5 La2 Li0.5 O4 -","- Co La4 Li O8 -","2","0.0625","","Demazeau, G.; Pouchard, M.; Thomas, M.","On an itermediate electronic configuration of cobalt (+III)","Materials Research Bulletin","1980","15","","451","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","144966","2020-10-21","18:00:00",""
"1524268","3.654","","3.654","","12.056","","90","","90","","120","","139.403","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Fe Ga2 S4 -","- Fe Ga2 S4 -","- Fe Ga2 S4 -","1","0.0833333","","Dogguy Smiri, L.; Dung, N.H.; Pardo, M.P.","Structure cristalline du polytype Fe Ga2 S4 alpha LT","Materials Research Bulletin","1980","15","","861","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524270","4.91","","4.91","","3.987","","90","","90","","120","","83.241","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co4 Ni) Ho","","- Co4 Ho Ni -","- Co4 Ho Ni -","- Co4 Ho Ni -","1","0.0416667","","Drzazga, Z.; Chelkowski, A.; Krok, J.; Broda, H.; Kubiak, S.; Mydlarz, T.","Crystal structure and magnetic properties of intermetallic compounds Ho Co5.5-x Mx, M= Mn, Fe, Ni, Cu","Journal of Magnetism and Magnetic Materials","1980","15","","1241","1242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524271","4.925","","4.925","","3.994","","90","","90","","120","","83.898","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co4 Cu) Ho","","- Co4 Cu Ho -","- Co4 Cu Ho -","- Co4 Cu Ho -","1","0.0416667","","Drzazga, Z.; Mydlarz, T.; Chelkowski, A.; Kubiak, S.; Krok, J.; Broda, H.","Crystal structure and magnetic properties of intermetallic compounds Ho Co5.5-x Mx, M= Mn, Fe, Ni, Cu","Journal of Magnetism and Magnetic Materials","1980","15","","1241","1242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524401","3.303","","3.303","","26.264","","90","","90","","120","","248.147","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","In Fe1.75 Si0.25 O4","","- Fe1.75 In O4 Si0.25 -","- Fe1.75 In O4 Si0.25 -","- Fe5.25 In3 O12 Si0.75 -","3","0.0833333","","Gerardin, R.; Alebouyeh, A.; Jeannot, F.; Courtois, A.; Malaman, B.; Evrard, O.","Sur l'existence des oxydes rhomboedriques A(III) B(III) B'(III) O4","Materials Research Bulletin","1980","15","","647","655","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524402","3.308","","3.308","","24.36","","90","","90","","120","","230.855","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","In Cu Al O4","","- Al Cu In O4 -","- Al Cu In O4 -","- Al3 Cu3 In3 O12 -","3","0.0833333","","Gerardin, R.; Alebouyeh, A.; Malaman, B.; Courtois, A.; Jeannot, F.; Evrard, O.","Sur l'existence des oxydes rhomboedriques a(III) B(III) B'(III) O4","Materials Research Bulletin","1980","15","","647","655","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524582","5.043","","5.043","","3.445","","90","","90","","120","","75.875","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cd2 Pr -","- Cd2 Pr -","- Cd2 Pr -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of the rare earths with the IB, IIb and IIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524583","4.979","","4.979","","3.458","","90","","90","","120","","74.24","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cd2 Sm -","- Cd2 Sm -","- Cd2 Sm -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of the rare earths with the IB, IIB and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524584","4.88","","4.88","","3.413","","90","","90","","120","","70.389","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cd2 Tm -","- Cd2 Tm -","- Cd2 Tm -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of the rare earths with the IB, IIB and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524609","8.051","","8.169","","21.24","","90","","90","","90","","1396.93","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Tl2 Sn Se3","","- Se3 Sn Tl2 -","- Se3 Sn Tl2 -","- Se24 Sn8 Tl16 -","8","1","","Jaulmes, S.; Houenou, P.","Structure cristalline du seleniure d'etain(IV) et de thallium(I): Tl2 Sn Se3","Materials Research Bulletin","1980","15","","911","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524612","5.861","","5.104","","5.836","","93.82","","107.31","","115.81","","146.087","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- Mn P4 -","- Mn P4 -","- Mn2 P8 -","2","1","","Jeitschko, W.; Ruehl, R.; Heiden, C.; Krieger, U.","Preparation, properties, and structure refinement of the stacking variant 2- Mn P4","Materials Research Bulletin","1980","15","","1755","1762","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524699","6.36","","10.63","","10.78","","90","","90","","90","","728.801","","","","","","","","","","","","","3","C c c m","-C 2 2c","66","","Pb Al2 Se4","","- Al2 Pb Se4 -","- Al2 Pb Se4 -","- Al8 Pb4 Se16 -","4","0.25","","Klee, W.; Schaefer, H.","Zur Kenntnis von Pb Al2 Se4 und Pb Ga2 Se4","Materials Research Bulletin","1980","15","","1033","1038","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524700","21.37","","21.47","","12.72","","90","","90","","90","","5836.11","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Pb Ga2 Se4","","- Ga2 Pb Se4 -","- Ga2 Pb Se4 -","- Ga64 Pb32 Se128 -","32","1","","Klee, W.; Schaefer, H.","Zur Kenntnis von Pb Al2 Se4 und Pb Ga2 Se4","Materials Research Bulletin","1980","15","","1033","1038","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524712","7.35","","7.577","","8.343","","90","","117.61","","90","","411.719","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","In Te Br","","- Br In Te -","- Br In Te -","- Br4 In4 Te4 -","4","1","","Kniep, R.; Wilms, A.","Phase relations in the In Br3 - In2 Te3 system and the crystal structure of In Te Br","Materials Research Bulletin","1980","15","","763","770","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524744","11.686","","3.8528","","13.763","","90","","90","","90","","619.663","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb In2 S4","","- In2 Pb S4 -","- In2 Pb S4 -","- In8 Pb4 S16 -","4","0.5","","Kraemer, V.; Berroth, K.","Phase investigations in the system Pb S - In2 S3 and the crystal structures of Pb In2 S4 and Pb6 In10 S21","Materials Research Bulletin","1980","15","","299","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524745","27.629","","3.863","","15.705","","90","","90.9","","90","","1676","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pb6 In10 S21","","- In10 Pb6 S21 -","- In10 Pb6 S21 -","- In20 Pb12 S42 -","2","0.25","","Kraemer, V.; Berroth, K.","Phase investigations in the system Pb S - In2 S3 and the crystal structures of Pb In2 S4 and Pb6 In10 S21","Materials Research Bulletin","1980","15","","299","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","145573","2020-10-21","18:00:00",""
"1524895","6.882","","10.315","","4.961","","90","","91.66","","90","","352.023","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 Te O3","","- Na2 O3 Te -","- Na2 O3 Te -","- Na8 O12 Te4 -","4","1","","Masse, R.; Guitel, J.C.; Trodjman, I.","Preparation chimique et structure cristalline des tellurites de sodium et d'argent: Na2 Te O3, Ag2 Te O3","Materials Research Bulletin","1980","15","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524924","12.704","","12.704","","18.109","","90","","90","","120","","2531.08","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cs3 Sc2 Cl9","","- Cl9 Cs3 Sc2 -","- Cl9 Cs3 Sc2 -","- Cl54 Cs18 Sc12 -","6","0.166667","","Meyer, G.; Schoenemund, A.","Enneahaloidmetallates (III) of rare earth elements with the hexagonal Cs3 Tl2 Cl9 - (h)6-type structure","Materials Research Bulletin","1980","15","","89","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","145790","2020-10-21","18:00:00",""
"1524989","7.649","","8.379","","5.109","","90","","93.76","","90","","326.736","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mg3 Fe3 (P O4)4","","- Fe3 Mg3 O16 P4 -","- Fe3 Mg3 O16 P4 -","- Fe3 Mg3 O16 P4 -","1","0.25","","Nord, A.G.; Stefanidis, T.","The cation distribution between five- and six-coordinated sites in some (Mg,Me)3 (PO4)2 solid solutions","Materials Research Bulletin","1980","15","","1183","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524990","7.617","","8.341","","5.113","","90","","94.1","","90","","324.015","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mg2 Mn (P O4)2","","- Mg2 Mn O8 P2 -","- Mg2 Mn O8 P2 -","- Mg4 Mn2 O16 P4 -","2","0.5","","Nord, A.G.; Stefanidis, T.","The cation distribution between five- and six-coordinated sites in some (Mg,Me)3 (PO4)2 solid solutions","Materials Research Bulletin","1980","15","","1183","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525098","10.136","","10.136","","13.968","","90","","90","","120","","1242.79","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ba3 W2 O9","","- Ba3 O9 W2 -","- Ba3 O9 W2 -","- Ba18 O54 W12 -","6","0.166667","","Poeppelmeier, K.R.; Jacobson, A.J.; Longo, J.M.","The structure of Ba3 W2 O9: an example of face-shared octahedra with tungsten(VI)","Materials Research Bulletin","1980","15","","339","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","145994","2020-10-21","18:00:00",""
"1525155","9.729","","9.729","","9.103","","90","","90","","120","","746.194","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr (Y4 Zr2) O12","","- O12 Y4 Zr3 -","- O12 Y4.002 Zr2.998 -","- O36 Y12.006 Zr8.994 -","3","0.166667","","Ray, S.P.; Stubican, V.S.; Cox, D.E.","Neutron diffraction investigation of Zr3 Y4 O12","Materials Research Bulletin","1980","15","","1419","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","146057","2020-10-21","18:00:00",""
"1525189","4.152","","4.152","","14.421","","90","","90","","90","","248.605","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Al Gd Ge","","- Al2 Gd4 Ge2 -","- Al2 Gd4 Ge2 -","- Al8 Gd16 Ge8 -","4","0.125","","Ryabokon, T.I.","New intermetallic compounds of rare earth metal aluminium germanides (R Al Ge, where R is a rare earth metal)","Visnik L'Vivs'kogo Derzhavnogo Universiteta, Seriya Khimichna","1974","15","","26","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525202","8.076","","7.731","","8.407","","90","","117.03","","90","","467.561","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","In Te I","","- I In Te -","- I In Te -","- I4 In4 Te4 -","4","1","","Sawitzki, G.; Mueller, D.; Hahn, H.","Die Kristallstrukturen von In Te I und In Se I","Materials Research Bulletin","1980","15","","753","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525203","18.618","","18.618","","10.094","","90","","90","","90","","3498.88","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","In Se I","","- I In Se -","- I In Se -","- I32 In32 Se32 -","32","2","","Sawitzki, G.; Mueller, D.; Hahn, H.","Die Kristallstrukturen von In Te I und In Se I","Materials Research Bulletin","1980","15","","753","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525207","4.708","","4.697","","2.835","","90","","90","","97.05","","62.218","","","","","","","","","","","","","3","P 1 1 2/m","-P 2","10","","Fe Ti D2","","- D2 Fe Ti -","- D2 Fe Ti -","- D4 Fe2 Ti2 -","2","0.5","","Schaefer, W.; Will, G.; Schober, T.","Neutron and electron diffraction of the Fe Ti - D (H) - gamma-phase","Materials Research Bulletin","1980","15","","627","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525208","11.551","","5.313","","8.165","","90","","98.72","","90","","495.298","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Cu4 Ni Si2 S7","","- Cu4 Ni S7 Si2 -","- Cu4 Ni S7 Si2 -","- Cu8 Ni2 S14 Si4 -","2","0.5","","Schaefer, W.; Nitsche, R.; Scheunemann, K.","Crystal structure and magnetic properties of Cu4 Ni Si2 S7","Materials Research Bulletin","1980","15","","933","937","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525337","3.6529","","3.6529","","11.774","","90","","90","","120","","136.06","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ce Sm -","- Ce1.005 Sm0.995 -","- Ce2.01 Sm1.99 -","2","0.0833333","","Speight, J.D.; Harris, I.R.; Raynor, G.V.","Alloys of cerium with neodymium, samarium and terbium and praseodymium with terbium","Journal of the Less-Common Metals","1968","15","","317","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525338","5.1564","","5.1564","","5.1564","","90","","90","","90","","137.101","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ce0.8 Sm0.2)","","- Ce0.8 Sm0.2 -","- Ce0.8 Sm0.2 -","- Ce3.2 Sm0.8 -","4","0.0208333","","Speight, J.D.; Harris, I.R.; Raynor, G.V.","Alloys of cerium with neodymium, samarium and terbium and praseodymium with terbium","Journal of the Less-Common Metals","1968","15","","317","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","146270","2020-10-21","18:00:00",""
"1525339","3.6285","","3.6285","","5.7577","","90","","90","","120","","65.65","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ce0.25 Tb0.75)","","- Ce0.25 Tb0.75 -","- Ce0.25 Tb0.75 -","- Ce0.5 Tb1.5 -","2","0.0833333","","Speight, J.D.; Harris, I.R.; Raynor, G.V.","Alloys of cerium with neodymium, samarium and terbium and praseodymium with terbium","Journal of the Less-Common Metals","1968","15","","317","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","146271","2020-10-21","18:00:00",""
"1525340","3.6399","","3.6399","","11.72","","90","","90","","120","","134.474","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ce0.6 Tb0.4)","","- Ce0.6 Tb0.4 -","- Ce0.6 Tb0.4 -","- Ce2.4 Tb1.6 -","4","0.166667","","Speight, J.D.; Raynor, G.V.; Harris, I.R.","Alloys of cerium with neodymium, samarium and terbium and praseodymium with terbium","Journal of the Less-Common Metals","1968","15","","317","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","146272","2020-10-21","18:00:00",""
"1525341","5.154","","5.154","","5.154","","90","","90","","90","","136.909","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ce0.9 Tb0.1)","","- Ce0.9 Tb0.1 -","- Ce0.903 Tb0.097 -","- Ce3.612 Tb0.388 -","4","0.0208333","","Speight, J.D.; Harris, I.R.; Raynor, G.V.","Alloys of cerium with neodymium, samarium and terbium and praseodymium with terbium","Journal of the Less-Common Metals","1968","15","","317","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","146273","2020-10-21","18:00:00",""
"1525344","5.348","","5.348","","4.331","","90","","90","","120","","107.276","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Co0.6 Pt0.4)3 Ta","","- Co1.8 Pt1.2 Ta -","- Co1.8 Pt1.2 Ta -","- Co3.6 Pt2.4 Ta2 -","2","0.0833333","","Statnova, E.A.; Kuprina, V.V.","An X-ray study of the intermetallic compound Ta (Co.6 Pt.4)3","Vestnik Moskovskogo Universiteta, Khimiya","1974","15","","502","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525358","3.679","","3.679","","3.679","","90","","90","","90","","49.795","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Fe3 Ga -","- Fe3 Ga -","- Fe3 Ga -","1","0.0208333","","Suzuki, T.; Oya, Y.; Ochiai, S.","The mechanical behaviour of nonstoichiometric compounds Ni3 Si, Ni3 Ge, and Ni3 Ga","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1984","15","","173","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525418","9.693","","9.693","","9.693","","90","","90","","90","","910.699","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Pr Rh1.2 Sn4.2 -","- Pr Rh1.2 Sn4.199 -","- Pr6 Rh7.2 Sn25.194 -","6","0.125","","Vandenberg, J.M.","The crytallography of new ternary compounds in the system rare-earth-rhodium-tin","Materials Research Bulletin","1980","15","","835","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525419","13.774","","13.774","","13.774","","90","","90","","90","","2613.25","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Tb Rh1.1 Sn3.6","","- Rh1.1 Sn3.6 Tb -","- Rh1.1004 Sn3.6 Tb -","- Rh22.008 Sn72 Tb20 -","20","0.208333","","Vandenberg, J.M.","The crytallography of new ternary compounds in the system rare-earth-rhodium-tin","Materials Research Bulletin","1980","15","","835","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525420","13.774","","13.774","","13.774","","90","","90","","90","","2613.25","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Tb Rh1.1 Sn3.4","","- Rh1.1 Sn3.4 Tb -","- Rh1.1004 Sn3.4 Tb -","- Rh22.008 Sn68 Tb20 -","20","0.208333","","Vandenberg, J.M.","The crytallography of new ternary compounds in the system rare-earth-rhodium-tin","Materials Research Bulletin","1980","15","","835","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525421","5.676","","5.676","","7.12","","90","","90","","120","","198.653","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La Ru3 Si2 -","- La Ru3 Si2 -","- La2 Ru6 Si4 -","2","0.166667","","Vandenberg, J.M.; Barz, H.","The crystal structure of a new ternary silicide in the system rare-earth-ruthenium-silicon","Materials Research Bulletin","1980","15","","1493","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525461","4.834","","4.834","","4.834","","90","","90","","90","","112.959","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ca3 Sn O","","- Ca3 O Sn -","- Ca3 O Sn -","- Ca3 O Sn -","1","0.0208333","","Widera, A.; Schaefer, H.","Uebergangsformen zwischen den Zintlphasen und echten Salzen: die Verbindungen A3 B O mit A = Ca, Sr, Ba und B = Sn, Pb","Materials Research Bulletin","1980","15","","1805","1809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525462","4.847","","4.847","","4.847","","90","","90","","90","","113.873","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ca3 Pb O","","- Ca3 O Pb -","- Ca3 O Pb -","- Ca3 O Pb -","1","0.0208333","","Widera, A.; Schaefer, H.","Uebergangsformen zwischen den Zintlphasen und echten Salzen: die Verbindungen A3 B O mit A = Ca, Sr, Ba und B = Sn, Pb","Materials Research Bulletin","1980","15","","1805","1809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525463","5.15","","5.15","","5.15","","90","","90","","90","","136.591","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sr3 Pb O","","- O Pb Sr3 -","- O Pb Sr3 -","- O Pb Sr3 -","1","0.0208333","","Widera, A.; Schaefer, H.","Uebergangsformen zwischen den Zintlphasen und echten Salzen: die Verbindungen A3 B O mit A = Ca, Sr, Ba und B = Sn, Pb","Materials Research Bulletin","1980","15","","1805","1809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525464","5.459","","5.459","","5.459","","90","","90","","90","","162.682","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ba3 Pb O","","- Ba3 O Pb -","- Ba3 O Pb -","- Ba3 O Pb -","1","0.0208333","","Widera, A.; Schaefer, H.","Uebergangsformen zwischen den Zintlphasen und echten Salzen: die Verbindungen A3 B O mit A = Ca, Sr, Ba und B = Sn, Pb","Materials Research Bulletin","1980","15","","1805","1809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525465","5.448","","5.448","","5.448","","90","","90","","90","","161.7","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ba3 Sn O","","- Ba3 O Sn -","- Ba3 O Sn -","- Ba3 O Sn -","1","0.0208333","","Widera, A.; Schaefer, H.","Uebergangsformen zwischen den Zintlphasen und echten Salzen: die Verbindungen A3 B O mit A = Ca, Sr, Ba und B = Sn, Pb","Materials Research Bulletin","1980","15","","1805","1809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525495","9.441","","9.441","","6.877","","90","","90","","120","","530.842","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ca3.678 (P O4)2.298 (O2.548 H4.63)","","- Ca3.678 H4.63 O11.74 P2.298 -","- Ca3.678 O11.738 P2.298 -","- Ca7.356 O23.476 P4.596 -","2","0.166667","","Young, R.A.; Mackie, P.E.","Cristallography of human tooth enamel. Initial structure refinement","Materials Research Bulletin","1980","15","","17","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525496","9.441","","9.441","","6.877","","90","","90","","120","","530.842","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Ca3.192 P2.292 O16.424 H15.36 Cl.356","","- Ca3.192 Cl0.356 H15.36 O16.424 P2.292 -","- Ca3.192 Cl0.356 O16.424 P2.292 -","- Ca3.192 Cl0.356 O16.424 P2.292 -","1","0.0833333","","Young, R.A.; Mackie, P.E.","Cristallography of human tooth enamel. Initial structure refinement","Materials Research Bulletin","1980","15","","17","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525497","9.442","","9.442","","6.877","","90","","90","","120","","530.955","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ca3.29 (P O4)2.478 (O8.562 H17.978)","","- Ca3.29 H17.978 O18.474 P2.478 -","- Ca3.29 O18.474 P2.478 -","- Ca3.29 O18.474 P2.478 -","1","0.0833333","","Young, R.A.; Mackie, P.E.","Cristallography of human tooth enamel. Initial structure refinement","Materials Research Bulletin","1980","15","","17","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525498","9.447","","9.447","","6.892","","90","","90","","120","","532.677","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ca4.4 (P O4)2.196 (O9.712 H17.212)","","- Ca4.4 H17.212 O18.496 P2.196 -","- Ca4.4 O18.496 P2.196 -","- Ca4.4 O18.496 P2.196 -","1","0.0833333","","Young, R.A.; Mackie, P.E.","Cristallography of human tooth enamel. Initial structure refinement","Materials Research Bulletin","1980","15","","17","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525499","9.447","","9.447","","6.892","","90","","90","","120","","532.677","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Ca4.372 P2.202 O18.130 H16.822 Cl.316","","- Ca4.372 Cl0.316 H16.822 O18.13 P2.202 -","- Ca4.372 Cl0.316 O18.13 P2.202 -","- Ca4.372 Cl0.316 O18.13 P2.202 -","1","0.0833333","","Young, R.A.; Mackie, P.E.","Cristallography of human tooth enamel. Initial structure refinement","Materials Research Bulletin","1980","15","","17","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525900","9.7505","","9.7505","","9.3094","","90","","90","","120","","766.489","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y6 O6 (W O6)","","- O12 W Y6 -","- O12 W Y6 -","- O36 W3 Y18 -","3","0.166667","","Diot, N.; Benard-Rocherulle, P.; Marchand, R.","X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho)","Powder Diffraction","2000","15","","220","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525901","9.7583","","9.7583","","9.3142","","90","","90","","120","","768.112","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ho6 O6 (W O6)","","- Ho6 O12 W -","- Ho6 O12 W -","- Ho18 O36 W3 -","3","0.166667","","Diot, N.; Benard-Rocherulle, P.; Marchand, R.","X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho)","Powder Diffraction","2000","15","","220","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526208","3.9325","","3.9325","","25.5069","","90","","90","","90","","394.453","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Bi1.63 Ba0.37) (Ba0.71 Bi0.29) (Ta2 O9)","","- Ba1.08 Bi1.92 O9 Ta2 -","- Ba1.077 Bi1.923 O9 Ta2 -","- Ba2.154 Bi3.846 O18 Ta4 -","2","0.0625","","Paiva-Santos, C.O.; Mazon, T.; Zaghete, M.A.; Campos, A.L.; Varela, J.A.; Foschini, C.R.","Crystal structure of Ba Bi2 Ta2 O9","Powder Diffraction","2000","15","","134","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","147342","2020-10-21","18:00:00",""
"1526323","5.987","","5.987","","11.979","","90","","90","","90","","429.377","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Cu In Se Te -","- Cu In Se Te -","- Cu4 In4 Se4 Te4 -","4","0.25","","Rashmi; Suri, D.K.","X-ray powder diffraction study of Cu In Se Te","Powder Diffraction","2000","15","","65","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526947","8.38898","","5.99334","","5.89586","","90","","89.997","","90","","296.432","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Bi2.8 Ca1.2) Sr4 O12","","- Bi2.8 Ca1.2 O12 Sr4 -","- Bi2.8 Ca1.2 O12 Sr4 -","- Bi2.8 Ca1.2 O12 Sr4 -","1","0.25","","Wong-Ng, W.; Kaduk, J. A.; Huang, Q.; Roth, R. S.","Crystal structure of the monoclinic perovskite Sr~3.94~Ca~1.31~Bi~2.70~O~12~","Powder Diffraction","2000","15","4","227","233","10.1017/S0885715600011131","","","","","","","","","","","","","","","","","","","","","has coordinates","188691","2020-10-21","18:00:00",""
"1527096","11.63","","11.63","","5.41","","90","","90","","90","","731.74","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Na Gd (Si O4)","","- Gd Na O4 Si -","- Gd Na O4 Si -","- Gd8 Na8 O32 Si8 -","8","0.5","","Avetisyan, E.I.; Chichagov, A.V.; Belov, N.V.","Crystal structure of sodium gadolinium orthosilicate","Kristallografiya","1970","15","","1066","1067","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527172","7.7","","9.84","","9.27","","90","","106.5","","90","","673.446","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pr2 (W2 O9)","","- O9 Pr2 W2 -","- O9 Pr2 W2 -","- O36 Pr8 W8 -","4","1","","Borisov, S.V.; Klevtsova, R.F.","The crystal structure of Pr2 W2 O9","Kristallografiya","1970","15","","38","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","148550","2020-10-21","18:00:00",""
"1527188","6.3","","10.98","","6.34","","90","","108.7","","90","","415.412","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ir Br3","","- Br3 Ir -","- Br3 Ir -","- Br12 Ir4 -","4","0.5","","Brodersen, K.; Ohnsorge, H.; Thiele, G.; Recke, I.; Moers, F.","Die Struktur des Ir Br3 und ueber die Ursachen der Fehlordnungserscheinungen bei den in Schichtenstrukturen kristallisierenden Edelmetalltrihalogeniden","Journal of the Less-Common Metals","1968","15","","347","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527204","5.614","","5.614","","12.719","","90","","90","","90","","400.865","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Ba (W O4)","","- Ba O4 W -","- Ba O4 W -","- Ba4 O16 W4 -","4","0.25","","Bylichkina, T.I.; Soleva, L.I.; Porai-Koshits, M.A.; Pobedimskaya, E.A.; Belov, N.V.","Crystal structures of Ba-molybdate and Ba-tungstate","Kristallografiya","1970","15","","165","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527205","5.62","","5.62","","12.82","","90","","90","","90","","404.912","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Ba (Mo O4)","","- Ba Mo O4 -","- Ba Mo O4 -","- Ba4 Mo4 O16 -","4","0.25","","Bylichkina, T.I.; Soleva, L.I.; Pobedimskaya, E.A.; Porai-Koshits, M.A.; Belov, N.V.","Crystal structures of Ba-molybdate and Ba-tungstate","Kristallografiya","1970","15","","165","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527283","13.3","","7.51","","7.67","","90","","93.5","","90","","764.674","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li2 (Cr2 O7) (H2 O)2","","- Cr2 H4 Li2 O9 -","- Cr2 H4 Li2 O9 -","- Cr8 H16 Li8 O36 -","4","0.5","","Datt, I.D.; Rannev, N.V.; Balicheva, T.G.; Ozerov, R.P.","Crystal structure of lithium bichromate dihydrate Li2 Cr2 O7 (H2 O)2","Kristallografiya","1970","15","","949","952","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527631","5.27","","11.7","","6.5","","90","","90","","90","","400.783","","","","","","","","","","","","","4","P b n 21","P 2c -2ab","33","","Na Sm (Ge O4)","","- Ge Na O4 Sm -","- Ge Na O4 Sm -","- Ge4 Na4 O16 Sm4 -","4","1","","Kharakh, E.A.; Belov, N.V.; Chichagov, A.V.","Crystal structure of sodium samarium orthogermanate","Kristallografiya","1970","15","","1064","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527648","9.26","","11.38","","4.91","","90","","90.3","","90","","517.403","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li Fe (W O4)2","","- Fe Li O8 W2 -","- Fe Li O8 W2 -","- Fe4 Li4 O32 W8 -","4","0.5","","Klevtsov, P.V.; Klevtsova, R.F.","Crystallographic investigation of a double tungstate, Li Fe (W O4)2","Kristallografiya","1970","15","","294","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527650","9.89","","5.77","","4.98","","90","","93.5","","90","","283.655","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Li Yb (W O4)2","","- Li O8 W2 Yb -","- Li O8 W2 Yb -","- Li2 O16 W4 Yb2 -","2","0.5","","Klevtsova, R.F.; Belov, N.V.","Variation on a single wolframite motif in the structures of Li Yb (W O4)2, Li Fe (W O4)2, and Na Fe (W O4)2","Kristallografiya","1970","15","","43","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527651","5.07","","10.48","","17.64","","90","","90","","90","","937.277","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li3 Fe (Mo O4)3","","- Fe Li3 Mo3 O12 -","- Fe0.9999 Li3.0001 Mo3 O12 -","- Fe3.9996 Li12.0004 Mo12 O48 -","4","0.5","","Klevtsova, R.F.; Magarill, S.A.","Crystal structure of lithium iron molybdates Li3 Fe (Mo O4)3 and Li2 Fe2 (Mo O4)3","Kristallografiya","1970","15","","710","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527652","5.11","","10.56","","17.75","","90","","90","","90","","957.818","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li2 Fe2 (Mo O4)3","","- Fe2 Li2 Mo3 O12 -","- Fe2.0001 Li1.9999 Mo3 O12 -","- Fe8.0004 Li7.9996 Mo12 O48 -","4","0.5","","Klevtsova, R.F.; Magarill, S.A.","Crystal structure of lithium iron molybdates Li3 Fe (Mo O4)3 and Li2 Fe2 (Mo O4)3","Kristallografiya","1970","15","","710","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","149327","2020-10-21","18:00:00",""
"1527661","3.015","","3.015","","3.015","","90","","90","","90","","27.407","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Tc0.3 V0.7)","","- Tc0.3 V0.7 -","- Tc0.3 V0.7 -","- Tc0.6 V1.4 -","2","0.0208333","","Koch, C.C.; Love, G.R.","An investigation of the V-Tc alloy system","Journal of the Less-Common Metals","1968","15","","43","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","149343","2020-10-21","18:00:00",""
"1527662","2.737","","2.737","","4.405","","90","","90","","120","","28.578","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Tc0.95 V0.05)","","- Tc0.95 V0.05 -","- Tc0.95 V0.05 -","- Tc1.9 V0.1 -","2","0.0833333","","Koch, C.C.; Love, G.R.","An investigation of the V-Tc alloy system","Journal of the Less-Common Metals","1968","15","","43","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","149344","2020-10-21","18:00:00",""
"1527926","4.21","","4.21","","61","","90","","90","","120","","936.321","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Ge3 Bi2 Te6","","- Bi2 Ge3 Te6 -","- Bi2 Ge3 Te6 -","- Bi6 Ge9 Te18 -","3","0.166667","","Petrov, I.I.; Imamov, R.M.","Crystal structure determination for Ge3 Bi2 Te6","Kristallografiya","1970","15","","168","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","149738","2020-10-21","18:00:00",""
"1527935","5.5","","5.5","","12.12","","90","","90","","90","","366.63","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Pb (W O4)","","- O4 Pb W -","- O4 Pb W -","- O16 Pb4 W4 -","4","0.25","","Plakhov, G.F.; Simonov, M.A.; Pobedimskaya, E.A.; Belov, N.V.","The crystal structure of Pb W O4","Kristallografiya","1970","15","","1067","1068","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527945","9.92","","9.92","","12.5","","90","","90","","90","","1230.08","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Nd4 W3 O15","","- Nd4 O15 W3 -","- Nd4 O15 W3 -","- Nd16 O60 W12 -","4","0.25","","Polyanskaya, T.M.; Borisov, S.V.; Belov, N.V.","The structure of Nd4 W3 O15","Kristallografiya","1970","15","","1135","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527947","8.86","","8.86","","8.86","","90","","90","","90","","695.506","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","Ca4 (Al6 O12) O","","- Al6 Ca4 O13 -","- Al6 Ca4 O13 -","- Al12 Ca8 O26 -","2","0.0416667","","Ponomarev, V.I.; Kheiker, D.M.; Belov, N.V.","Crystal structure of tetracalcium trialuminate - the aluminate analog of sodalite","Kristallografiya","1970","15","","918","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","149763","2020-10-21","18:00:00",""
"1527948","12.866","","8.879","","5.44","","90","","106.75","","90","","595.083","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ca (Al4 O7)","","- Al4 Ca O7 -","- Al4 Ca O7 -","- Al16 Ca4 O28 -","4","0.5","","Ponomarev, V.I.; Kheiker, D.M.; Belov, N.V.","Crystal structure of calcium dialuminate, C A2","Kristallografiya","1970","15","","1140","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528082","6.778","","6.778","","12.34","","90","","90","","90","","566.915","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Er2 (Ge2 O7)","","- Er2 Ge2 O7 -","- Er2 Ge2 O7 -","- Er8 Ge8 O28 -","4","0.5","","Smolin, Yu.I.","Determination of the crystal structure of erbium pyrogermanate, Er2 Ge2 O7","Kristallografiya","1970","15","","47","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","149968","2020-10-21","18:00:00",""
"1528083","6.695","","6.695","","24.4","","90","","90","","90","","1093.68","","","","","","","","","","","","","3","P 41","P 4w","76","","Sm2 (Si2 O7)","","- O7 Si2 Sm2 -","- O7 Si2 Sm2 -","- O56 Si16 Sm16 -","8","2","","Smolin, Yu.I.; Shepelev, Yu.F.; Butikova, I.K.","The crystal structure of the low-temperature form of samarium pyrosilicate, Sm2 Si2 O7","Kristallografiya","1970","15","","256","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","149969","2020-10-21","18:00:00",""
"1528087","7.1","","7.25","","6.67","","111","","105","","90","","307.97","","","","","","","","","","","","","4","P -1","-P 1","2","","Li Al (Mo O4)2","","- Al Li Mo2 O8 -","- Al Li Mo2 O8 -","- Al2 Li2 Mo4 O16 -","2","1","","Solov'eva, L.P.; Borisov, S.V.","Crystal structure of Li Al (Mo O4)2","Kristallografiya","1970","15","","577","580","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528101","4.8418","","4.8418","","4.8418","","90","","90","","90","","113.506","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Sn0.215 Tl0.785)","","- Sn0.215 Tl0.785 -","- Sn0.215 Tl0.785 -","- Sn0.86 Tl3.14 -","4","0.0208333","","Suganuma, R.","Study of som Tl base alloys, with reference to their electronic structure","Journal of the Physical Society of Japan","1960","15","","1395","1409","","","","","","","","","","","","","","","","","","","","","","has coordinates","150021","2020-10-21","18:00:00",""
"1528102","3.4651","","3.4651","","5.5384","","90","","90","","120","","57.59","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Sn0.017 Tl0.983)","","- Sn0.017 Tl0.983 -","- Sn0.017 Tl0.983 -","- Sn0.034 Tl1.966 -","2","0.0833333","","Suganuma, R.","Study of som Tl base alloys, with reference to their electronic structure","Journal of the Physical Society of Japan","1960","15","","1395","1409","","","","","","","","","","","","","","","","","","","","","","has coordinates","150022","2020-10-21","18:00:00",""
"1528229","5.9","","5.9","","43.5","","90","","90","","120","","1311.37","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba2 Zn2 Fe12 O22","","- Ba2 Fe12 O22 Zn2 -","- Ba2 Fe12 O22 Zn2 -","- Ba6 Fe36 O66 Zn6 -","3","0.0833333","","Yamzin, I.I.; Leciejewicz, J.","A neutron-diffraction study of the Y-type hexagonal ferrites Ba2 Zn2 Fe12 O22 and Ba2 Zn0.3 C01.7 Fe12 O22","Kristallografiya","1970","15","","280","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","150215","2020-10-21","18:00:00",""
"1528230","5.9","","5.9","","43.5","","90","","90","","120","","1311.37","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Ba2 Zn0.3 Co1.7 Fe12 O22","","- Ba2 Co1.7 Fe12 O22 Zn0.3 -","- Ba2 Co1.698 Fe12 O22 Zn0.3 -","- Ba6 Co5.094 Fe36 O66 Zn0.9 -","3","0.0833333","","Yamzin, I.I.; Leciejewicz, J.","A neutron-diffraction study of the Y-type hexagonal ferrites Ba2 Zn2 Fe12 O22 and Ba2 Zn0.3 C01.7 Fe12 O22","Kristallografiya","1970","15","","280","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","150216","2020-10-21","18:00:00",""
"1528260","4.25","","4.25","","5.765","","90","","90","","90","","104.13","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ce Mg2 Si2 -","- Ce Mg2 Si2 -","- Ce Mg2 Si2 -","1","0.0625","","Zmii, O.F.; Gladyshevskii, E.I.","Crystal structure of Ce Mg2 Si2","Kristallografiya","1970","15","","939","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528421","9.1014","","17.7326","","10.2378","","90","","124.607","","90","","1359.95","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ca0.375 (Al0.726 Si2.274) O6 (H2 O)1.72","","- Al0.726 Ca0.375 H3.44 O7.72 Si2.274 -","- Al0.726 Ca0.375 O7.72 Si2.274 -","- Al5.808 Ca3 O61.76 Si18.192 -","8","1","","Cruciani, G.; Martucci, A.; Meneghini, C.","Dehydration dynamics of epistilbite by in situ time resolved synchrotron powder diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","257","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528711","5.298","","5.298","","5.375","","90","","90","","120","","130.657","","","","","","","","","","","","","3","P 3 1 2","P 3 2","149","","Pb (Sb2 O6)","","- O6 Pb Sb2 -","- O6 Pb Sb2 -","- O6 Pb Sb2 -","1","0.166667","","Magneli, A.","The crystal structure of lead metantimonate and isomorphous compounds","Arkiv foer Kemi, Mineralogi och Geologi, B","1941","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528726","18.074","","20.446","","7.531","","90","","90","","90","","2783.01","","","","","","","","","","","","","8","C m c m","-C 2c 2","63","","(Ca0.439 Mg0.008 Sr0.001) ((Fe0.007 Si10.133 Al1.85) O24) (H2 O)4.887","","- Al1.85 Ca0.439 Fe0.007 H9.774 Mg0.008 O28.887 Si10.133 Sr0.001 -","- Al1.8504 Ca0.4395 Fe0.0072 Mg0.0079 O28.887 Si10.1328 Sr0.0008 -","- Al7.4016 Ca1.758 Fe0.0288 Mg0.0316 O115.548 Si40.5312 Sr0.0032 -","4","0.25","","Martucci, A.; Sacerdoti, M.; Cruciani, G.; Dalconi, C.","In situ time resolved synchrotron powder diffraction study of mordenite","European Journal of Mineralogy (1,1989-)","2003","15","","485","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528915","7.3","","7.53","","7.68","","90","","90.9","","90","","422.11","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","W O3","","- O3 W -","- O3 W -","- O24 W8 -","8","2","","Tanisaki, S.","Crystal structure of monoclinic tungsten oxide at room temperature","Journal of the Physical Society of Japan","1960","15","","573","580","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529585","9.49","","12.23","","7.1","","90","","90","","90","","824.045","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Fe3 (Be Si3 O9) (O H)2","","- Be Fe3 H2 O11 Si3 -","- Be Fe3 O11 Si3 -","- Be4 Fe12 O44 Si12 -","4","1","","Bakakin, V.V.; Solov'eva, L.P.","The crystal structure of Fe3 Be Si3 O9 (F, O H)2 the example of the wollastonitelike silicate chain on the basis of Fe","Kristallografiya","1970","15","","1144","1151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529684","7.2","","7.2","","7.376","","90","","90","","120","","331.144","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","La F3","","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Brach, I.; Schulz, H.","Determination of the Diffusion Path in the Ionic Conductor La F3","Solid State Ionics","1985","15","","135","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529817","13.93","","5.66","","4.978","","90","","90","","90","","392.484","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba Ga F5","","- Ba F5 Ga -","- Ba F5 Ga -","- Ba4 F20 Ga4 -","4","1","","Domesle, R.; Hoppe, R.","Ueber das system Ba F2 / Ga F3. Zur Kenntnis von Ba Ga F5","Revue de Chimie Minerale","1978","15","","439","458","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529966","7.503","","7.503","","43.4","","90","","90","","120","","2115.88","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Tl4.62 Ta11.08 O30","","- O30 Ta11 Tl4.34 -","- O30 Ta11 Tl4.34 -","- O90 Ta33 Tl13.02 -","3","0.0833333","","Ganne, M.; Marchand, R.; Tournoux, M.","Structure cristalline du tantalate de thallium Tl4.62 Ta11.08 O30","Revue de Chimie Minerale","1978","15","","423","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","154905","2020-10-21","18:00:00",""
"1530074","9.212","","9.212","","9.236","","90","","90","","120","","678.77","","","","","","","","","","","","","7","P 6/m c c","-P 6 2c","192","","Si12 Be5.22 Al4 O36 Na0.66 Cs0.30 (H2 O)1.32","","- Al4 Be5.22 Cs0.3 H2.64 Na0.66 O37.32 Si12 -","- Al4 Be5.22 Cs0.3 Na0.66 O37.32 Si12 -","- Al4 Be5.22 Cs0.3 Na0.66 O37.32 Si12 -","1","0.0416667","","Hawthorne, F.C.; Cerny, P.","The alkali-metal positions in Cs-Li beryl","Canadian Mineralogist","1977","15","","414","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530205","10.99","","10.99","","4.258","","90","","90","","90","","514.282","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","V O (P O3)2","","- O7 P2 V -","- O7 P2 V -","- O28 P8 V4 -","4","0.25","","Krasnikov, V.V.; Konstant, Z.A.","Crystal structure of beta-V O (P O3)2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1979","15","","2164","2167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530291","6.861","","8.987","","5.045","","90","","90","","90","","311.074","","","","","","","","","","","","","5","P m n b","-P 2bc 2a","62","","Na (Fe0.9 Mn0.1) (P O4)","","- Fe0.9 Mn0.1 Na O4 P -","- Fe0.9 Mn0.1 Na O4 P -","- Fe3.6 Mn0.4 Na4 O16 P4 -","4","0.5","","le Page, Y.; Donnay, G.","The crystal structure of the new mineral maricite Na Fe P O4","Canadian Mineralogist","1977","15","","518","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530292","5.01","","5.01","","5.92","","90","","90","","90","","148.593","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ca O2 -","- Ca0.5 O -","- Ca2 O4 -","4","0.125","","Kotov, V.; Reichstein, S.","About the structure of calcium peroxide Ca O2","Zhurnal Fizicheskoi Khimii","1941","15","","1057","1058","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530423","3.347","","3.347","","27.65","","90","","90","","120","","268.248","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zr Al C1.77","","- C1.77 Al Zr -","- C1.72 Al Zr -","- C10.32 Al6 Zr6 -","6","0.25","","Mikhalenko, S.I.; Popov, V.E.; Kuz'ma, Yu.B.; Nechitailov, A.P.; Gurin, V.N.","New ternary carbides Zr Al C(2-x) and Hf Al C(2-x) and their crystal structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1979","15","","1948","1951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530539","5.617","","6.666","","10.011","","90","","97.32","","90","","371.786","","","","","","","","","","","","","4","A 1 2 1","A 2y","5","","Yb H2 P3 O10","","- H2 O10 P3 Yb -","- O10 P3 Yb -","- O20 P6 Yb2 -","2","0.5","","Palkina, K.K.; Maksimova, S.I.; Kuznetsov, V.G.","Structure of crystals of acid ytterbium tripolyphosphate Yb H2 P3 O10","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1979","15","","2168","2170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530837","6.68","","7.13","","11.76","","90","","49.5","","90","","425.911","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ni Cl2 (H2 O)6","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.5","","Stroganov, E.V.; Kozhina, I.I.; Andreev, S.N.","The crystal structure of Ni Cl2 (H2 O)6","Vestnik Leningradskogo Universiteta, Fizika, Khimiya","1960","15","","109","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","206183","2020-10-21","18:00:00",""
"1530866","5.9192","","17.9506","","6.2519","","90","","90","","90","","664.284","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rb H3 (Se O3)2","","- H3 O6 Rb Se2 -","- H3 O6 Rb Se2 -","- H12 O24 Rb4 Se8 -","4","1","","Tellgren, R.; Liminga, R.","Hydrogen bond studies 109. A neutron diffraction study of the paraelectric phase of rubidium trihydrogen selenite, Rb H3 (Se O3)2","Ferroelectrics","1977","15","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530876","7.469","","7.469","","6.976","","90","","90","","90","","389.163","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (D2 P O4)","","- D2 K O4 P -","- D2 K O4 P -","- D8 K4 O16 P4 -","4","0.25","","Tibballs, J.E.; Nelmes, R.J.; McIntyre, G.J.","The crystal structure of tetragonal K H2 P O4 and K D2 P O4 as a function of temperature and pressure","Journal of Physics C","1982","15","","37","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530928","11.105","","11.105","","11.105","","90","","90","","90","","1369.48","","","","","","","","","","","","","3","F d -3 :1","F 2 2 3 -1d","203","","Fe2 W2 C","","- C Fe2 W2 -","- C Fe2 W2 -","- C24 Fe48 W48 -","24","0.25","","Umanskii, Ya.S.; Chebotarev, N.T.","The structure and the composition of the ferric- tungsten carbides","Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya","1951","15","","24","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530929","10.93","","10.93","","10.93","","90","","90","","90","","1305.75","","","","","","","","","","","","","3","F d -3 :1","F 2 2 3 -1d","203","","Fe6 W6 C","","- C Fe6 W6 -","- C Fe6 W6 -","- C8 Fe48 W48 -","8","0.0833333","","Umanskii, Ya.S.; Chebotarev, N.T.","The structure and the composition of the ferric- tungsten carbides","Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya","1951","15","","24","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530945","10.94","","10.94","","10.94","","90","","90","","90","","1309.34","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rb2 U Br6","","- Br6 Rb2 U -","- Br6 Rb2 U -","- Br24 Rb8 U4 -","4","0.0208333","","Vdovenko, V.M.; Chirkst, D.E.; Suglobova, I.G.; Kozhina, I.I.","The complex formation in the system uranium halogenide alkali halogenide, the production and the structure of Rb2 U Br2 and Cs2 U Br2","Radiokhimiya","1973","15","","54","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530946","11.07","","11.07","","11.07","","90","","90","","90","","1356.57","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs2 U Br6","","- Br6 Cs2 U -","- Br6 Cs2 U -","- Br24 Cs8 U4 -","4","0.0208333","","Vdovenko, V.M.; Kozhina, I.I.; Suglobova, I.G.; Chirkst, D.E.","The complex formation in the system uranium halogenide alkali halogenide, the production and the structure of Rb2 U Br2 and Cs2 U Rb2","Radiokhimiya","1973","15","","54","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531693","5.4712","","5.4597","","27.8943","","90","","90","","90","","833.234","","","","","","","","","","","","","5","F m m 2","F 2 -2","42","","Pb Ba2 Y Cu3 O7","","- Ba2 Cu3 O7 Pb Y -","- Ba2 Cu3 O7 Pb Y -","- Ba8 Cu12 O28 Pb4 Y4 -","4","0.25","","Kirbyshire, A. L.; Greaves, C.","PbBa~2~Y~1-x~Ca~x~Cu~3~O~7+δ~: synthesis, structure and superconductivity","Superconductor Science and Technology","2002","15","7","1048","1053","10.1088/0953-2048/15/7/310","","","","","","","","","","","","","","","","","","","","","has coordinates","206904","2020-10-21","18:00:00",""
"1531694","3.86387","","3.86387","","27.9799","","90","","90","","90","","417.726","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","Pb Ba2 (Y0.8 Ca0.2) Cu3 O7","","- Ba2 Ca0.2 Cu3 O7 Pb Y0.8 -","- Ba2 Ca0.2 Cu3 O7 Pb Y0.8 -","- Ba4 Ca0.4 Cu6 O14 Pb2 Y1.6 -","2","0.125","","Kirbyshire, A. L.; Greaves, C.","PbBa~2~Y~1-x~Ca~x~Cu~3~O~7+δ~: synthesis, structure and superconductivity","Superconductor Science and Technology","2002","15","7","1048","1053","10.1088/0953-2048/15/7/310","","","","","","","","","","","","","","","","","","","","","has coordinates","206904","2020-10-21","18:00:00",""
"1531697","3.86744","","3.86744","","28.2555","","90","","90","","90","","422.62","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","Pb Ba2 (Y0.8 Ca0.2) Cu3 O8.12","","- Ba2 Ca0.2 Cu3 O8.12 Pb Y0.8 -","- Ba2 Ca0.2 Cu3 O8.12 Pb Y0.8 -","- Ba4 Ca0.4 Cu6 O16.24 Pb2 Y1.6 -","2","0.125","","Kirbyshire, A. L.; Greaves, C.","PbBa~2~Y~1-x~Ca~x~Cu~3~O~7+δ~: synthesis, structure and superconductivity","Superconductor Science and Technology","2002","15","7","1048","1053","10.1088/0953-2048/15/7/310","","","","","","","","","","","","","","","","","","","","","has coordinates","206904","2020-10-21","18:00:00",""
"1532090","3.9067","","3.9067","","11.6985","","90","","90","","90","","178.546","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","La (Ba1.5 La0.5) Cu3 O7.305","","- Ba1.5 Cu3 La1.5 O7.305 -","- Ba1.5 Cu3 La1.5 O7.306 -","- Ba1.5 Cu3 La1.5 O7.306 -","1","0.0625","","Rayaprol, S.; Rana, D.S.; Mavani, K.; Thaker, C.M.; Thampi, R.S.; Kuberkar, D.G.; Kulkarni, R.G.; Malik, S.K.","Structural investigations of La-2125 mixed oxide superconducting system","Journal of Superconductivity","2002","15","","211","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","157712","2020-10-21","18:00:00",""
"1532092","3.8978","","3.8978","","11.6951","","90","","90","","90","","177.682","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(La0.786 Nd0.071 Ca0.143) (Ba1.428 La0.571) Cu3 O7.241","","- Ba1.428 Ca0.143 Cu3 La1.357 Nd0.071 O7.241 -","- Ba1.428 Ca0.143 Cu3 La1.358 Nd0.071 O7.242 -","- Ba1.428 Ca0.143 Cu3 La1.358 Nd0.071 O7.242 -","1","0.0625","","Rayaprol, S.; Kulkarni, R.G.; Mavani, K.; Rana, D.S.; Thampi, R.S.; Kuberkar, D.G.; Thaker, C.M.; Malik, S.K.","Structural investigations of La-2125 mixed oxide superconducting system","Journal of Superconductivity","2002","15","","211","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","157715","2020-10-21","18:00:00",""
"1532094","3.8735","","3.8735","","11.6686","","90","","90","","90","","175.076","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(La0.414 Nd0.196 Ca0.39) (Ba1.304 La0.695) Cu3 O7.136","","- Ba1.304 Ca0.39 Cu3 La1.109 Nd0.196 O7.136 -","- Ba1.304 Ca0.39 Cu3 La1.11 Nd0.196 O7.136 -","- Ba1.304 Ca0.39 Cu3 La1.11 Nd0.196 O7.136 -","1","0.0625","","Rayaprol, S.; Mavani, K.; Kuberkar, D.G.; Thaker, C.M.; Rana, D.S.; Malik, S.K.; Thampi, R.S.; Kulkarni, R.G.","Structural investigations of La-2125 mixed oxide superconducting system","Journal of Superconductivity","2002","15","","211","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","157717","2020-10-21","18:00:00",""
"1532369","3.8529","","3.8529","","15.8513","","90","","90","","90","","235.31","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Hg Ba2 Ca2 Cu3 O8.35","","- Ba2 Ca2 Cu3 Hg O8.35 -","- Ba2 Ca2 Cu3 Hg O8.35 -","- Ba2 Ca2 Cu3 Hg O8.35 -","1","0.0625","","Wu, J.; Wu, G.J.; Liu, S.L.; Lam, C.C.; Shen, L.J.; Shao, H.M.","The influence of mobile holes in Hg1-x Pbx Ba2 Ca2 Cu3 O8+d superconductors","Journal of Superconductivity","2002","15","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532614","10.032","","11.333","","7.202","","90.192","","100.334","","111.551","","747.07","","","","","","","","","","","","","12","P -1","-P 1","2","","(Zr1.28 Ca1.18 Fe0.24 Mn1.10 Ce0.08 Y0.04) (Ca5 Na5) (Ti1.74 Nb0.2 Zr0.06) (Si2 O7)4 F4 (O2.4 F1.6)","","- Ca6.18 Ce0.08 F5.6 Fe0.24 Mn1.1 Na5 Nb0.2 O30.4 Si8 Ti1.74 Y0.04 Zr1.34 -","- Ca6.18 Ce0.08 F5.6 Fe0.24 Mn1.1 Na5 Nb0.2 O30.4 Si8 Ti1.74 Y0.04 Zr1.34 -","- Ca6.18 Ce0.08 F5.6 Fe0.24 Mn1.1 Na5 Nb0.2 O30.4 Si8 Ti1.74 Y0.04 Zr1.34 -","1","0.5","","Christiansen, C.C.; Gault, R.A.; Grice, J.D.; Johnsen, O.","Kochite, a new member of the rosenbuschite group from the Werner Bjerge alkaline complex, East Greenland","European Journal of Mineralogy (1,1989-)","2003","15","","551","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532782","5.467038","","5.51048","","7.751242","","90","","90.1199","","90","","233.513","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La2 (Ni Mn O6)","","- La2 Mn Ni O6 -","- La2 Mn Ni O6 -","- La4 Mn2 Ni2 O12 -","2","0.5","","Bull, C.L.; Gleeson, D.; Knight, K.S.","Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6","Journal of Physics: Condensed Matter","2003","15","","4927","4936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532786","5.525192","","5.487598","","7.778682","","90","","89.9495","","90","","235.85","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La2 (Co Mn O6)","","- Co La2 Mn O6 -","- Co La2 Mn O6 -","- Co2 La4 Mn2 O12 -","2","0.5","","Bull, C.L.; Gleeson, D.; Knight, K.S.","Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6","Journal of Physics: Condensed Matter","2003","15","","4927","4936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532790","5.47456","","5.47456","","5.47456","","60.6712","","60.6712","","60.6712","","117.778","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 (Ni Mn O6)","","- La2 Mn Ni O6 -","- La2 Mn Ni O6 -","- La2 Mn Ni O6 -","1","0.166667","","Bull, C.L.; Gleeson, D.; Knight, K.S.","Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6","Journal of Physics: Condensed Matter","2003","15","","4927","4936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532794","5.487977","","5.487977","","5.487977","","60.7239","","60.7239","","60.7239","","118.784","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 (Co Mn O6)","","- Co La2 Mn O6 -","- Co La2 Mn O6 -","- Co La2 Mn O6 -","1","0.166667","","Bull, C.L.; Gleeson, D.; Knight, K.S.","Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6","Journal of Physics: Condensed Matter","2003","15","","4927","4936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532855","3.913","","3.913","","10.507","","90","","90","","90","","160.879","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","U Cr2 Si2","","- Cr2 Si2 U -","- Cr2 Si2 U -","- Cr4 Si4 U2 -","2","0.0625","","Matsuda, T.D.; Metoki, N.; Yamamoto, E.; Haga, Y.; Ikeda, S.; Kaneko, K.; Onuki, Y.","Crystal and magnetic structure in the itinerant 5f antiferromagnet U Cr2 Si2","Journal of Physics: Condensed Matter","2003","15","","S2023","S2027","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532856","3.906","","3.903","","10.506","","91.49","","88.51","","90.74","","160.045","","","","","","","","","","","","","3","P -1","-P 1","2","","U Cr2 Si2","","- Cr2 Si2 U -","- Cr2 Si2 U -","- Cr4 Si4 U2 -","2","1","","Matsuda, T.D.; Onuki, Y.; Metoki, N.; Ikeda, S.; Kaneko, K.; Haga, Y.; Yamamoto, E.","Crystal and magnetic structure in the itinerant 5f antiferromagnet U Cr2 Si2","Journal of Physics: Condensed Matter","2003","15","","S2023","S2027","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533104","9.326","","9.288","","2.7555","","90","","90","","90","","238.681","","","","","","","","","","","","","2","B b m m","-B 2 2b","63","","","","- Fe3 O4 -","- Fe3 O4 -","- Fe12 O16 -","4","0.25","","Dubrovinskii, L.S.; Dubrovinskaya, N.A.; McCammon, C.; Dmitriev, V.; Rozenberg, G.Kh.; Le Bihan, T.; Osorio-Guillen, J.M.; Johansson, B.; Weber, H.P.","The structure of the metallic high-pressure Fe3 O4 polymorph: experimental and theoretical study","Journal of Physics: Condensed Matter","2003","15","","7697","7706","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533146","5.9772","","7.5095","","5.2311","","90","","90","","90","","234.802","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Cu0.75 Mn0.25) (Se O3)","","- Cu0.75 Mn0.25 O3 Se -","- Cu0.75 Mn0.25 O3 Se -","- Cu3 Mn O12 Se4 -","4","0.5","","Escamilla, R.; Duran, A.; Alario-Franco, M.A.; Moran, E.; Rosales, M.I.","The effect of Mn substitution on the structure and magnetic properties of Se (Cu1-x Mnx) O3 solid solution","Journal of Physics: Condensed Matter","2003","15","","1951","1961","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533147","6.0044","","7.6581","","5.1954","","90","","90","","90","","238.896","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Cu0.5 Mn0.5) (Se O3)","","- Cu0.5 Mn0.5 O3 Se -","- Cu0.5 Mn0.5 O3 Se -","- Cu2 Mn2 O12 Se4 -","4","0.5","","Escamilla, R.; Duran, A.; Rosales, M.I.; Moran, E.; Alario-Franco, M.A.","The effect of Mn substitution on the structure and magnetic properties of Se (Cu1-x Mnx) O3 solid solution","Journal of Physics: Condensed Matter","2003","15","","1951","1961","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533148","6.069","","7.8299","","5.1538","","90","","90","","90","","244.907","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Cu0.25 Mn0.75) (Se O3)","","- Cu0.25 Mn0.75 O3 Se -","- Cu0.25 Mn0.75 O3 Se -","- Cu Mn3 O12 Se4 -","4","0.5","","Escamilla, R.; Duran, A.; Rosales, M.I.; Moran, E.; Alario-Franco, M.A.","The effect of Mn substitution on the structure and magnetic properties of Se (Cu1-x Mnx) O3 solid solution","Journal of Physics: Condensed Matter","2003","15","","1951","1961","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533149","6.0937","","7.8651","","5.1434","","90","","90","","90","","246.511","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mn (Se O3)","","- Mn O3 Se -","- Mn O3 Se -","- Mn4 O12 Se4 -","4","0.5","","Escamilla, R.; Duran, A.; Moran, E.; Rosales, M.I.; Alario-Franco, M.A.","The effect of Mn substitution on the structure and magnetic properties of Se (Cu1-x Mnx) O3 solid solution","Journal of Physics: Condensed Matter","2003","15","","1951","1961","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533206","5.4169","","5.4169","","8.3976","","90","","90","","90","","246.409","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 (Cu W O6)","","- Cu O6 Sr2 W -","- Cu O6 Sr2 W -","- Cu2 O12 Sr4 W2 -","2","0.125","","Gateshki, M.; Igartua, J.M.","Second-order structural phase transition in Sr2 Cu W O6 double-perovskite oxide","Journal of Physics: Condensed Matter","2003","15","","6749","6757","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533365","13.304","","17.876","","5.251","","90","","107.01","","90","","1194.17","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","((Mg Al) (Si4 O10 (H2 O)2 (O H))) (H2 O)2","","- Al H9 Mg O15 Si4 -","- Al Mg O15 Si4 -","- Al4 Mg4 O60 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modelling and powder synchrotron diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533366","12.762","","17.882","","5.249","","90","","90","","90","","1197.88","","","","","","","","","","","","","5","P b m n","-P 2ab 2ab","53","","((Mg Al) (Si4 O10 (H2 O)2 (O H))) (H2 O)2","","- Al H9 Mg O15 Si4 -","- Al Mg O15 Si4 -","- Al4 Mg4 O60 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modelling and powder synchrotron diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533367","13.38","","17.885","","5.25","","90","","106.81","","90","","1202.65","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","(((Mg Al) (Si4 O10 (H2 O)2 (O H))) (H2 O)1.48) (C16 N2 O2 H10)0.044","","- C0.704 H8.4 Al Mg N0.088 O14.568 Si4 -","- C0.704 Al Mg N0.088 O14.568 Si4 -","- C2.816 Al4 Mg4 N0.352 O58.272 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modelling and powder synchrotron diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533368","12.72","","17.886","","5.254","","90","","90","","90","","1195.34","","","","","","","","","","","","","7","P b m n","-P 2ab 2ab","53","","(((Mg Al) (Si4 O10 (H2 O)2 (O H))) (H2 O)0.975) (C16 N2 O2 H10)0.056","","- C0.896 H7.51 Al Mg N0.112 O14.087 Si4 -","- C0.896 Al Mg N0.112 O14.087 Si4 -","- C3.584 Al4 Mg4 N0.448 O56.348 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modelling and powder synchrotron diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533369","13.41","","17.891","","15.74","","90","","107.06","","90","","3610.15","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","(((Mg Al) (Si4 O10 (H2 O)2 (O H))) (H2 O)1.46) (C16 N2 O2 H10)0.045","","- C0.72 H8.37 Al Mg N0.09 O14.55 Si4 -","- C0.72 Al Mg N0.09 O14.55 Si4 -","- C8.64 Al12 Mg12 N1.08 O174.6 Si48 -","12","1.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modelling and powder synchrotron diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533370","12.709","","17.896","","15.775","","90","","90","","90","","3587.87","","","","","","","","","","","","","7","P b m n","-P 2ab 2ab","53","","(((Mg Al) (Si4 O10 (H2 O)2 (O H))) (H2 O)1.32) (C16 N2 O2 H10)0.0567","","- C0.9072 H8.207 Al Mg N0.1134 O14.4334 Si4 -","- C0.906667 Al Mg N0.113333 O14.4333 Si4 -","- C10.88 Al12 Mg12 N1.36 O173.2 Si48 -","12","1.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modelling and powder synchrotron diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533441","13.666","","13.623","","13.531","","90","","90.5","","90","","2519","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ca0.959 (Al2 Si4 O12) (H2 O)1.82","","- Al2 Ca0.959 H3.64 O13.82 Si4 -","- Al2 Ca0.959 O13.82 Si4 -","- Al16 Ca7.672 O110.56 Si32 -","8","1","","Seryotkin, Y.V.; Belitsky, I.A.; Joswig, W.; Bakakin, V.V.; Fursenko, B.A.","High-temperature crystal structure of wairakite","European Journal of Mineralogy (1,1989-)","2003","15","","475","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533445","8.5301","","8.5301","","12.4348","","90","","90","","120","","783.57","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sm2 Fe12 Co5 C0.75","","- C0.75 Co5 Fe12 Sm2 -","- C0.75 Co4.998 Fe12.002 Sm2 -","- C2.25 Co14.994 Fe36.006 Sm6 -","3","0.0833333","","Altounian, Z.; Liu Xubo; Girt, E.","Formation, structure and hard magnetic properties of Sm2 Fe17-x Cox Cy compounds","Journal of Physics: Condensed Matter","2003","15","","3315","3322","","","","","","","","","","","","","","","","","","","","","","has coordinates","159689","2020-10-21","18:00:00",""
"1533546","7.7088","","7.7088","","4.1496","","90","","90","","120","","213.555","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","La2 Zn6 Ge3","","- Ge3 La2 Zn6 -","- Ge3 La2 Zn6 -","- Ge3 La2 Zn6 -","1","0.0833333","","Grytsiv, A.V.; Daoud-Aladine, A.; Berger, S.; Bauer, E.; Hilscher, G.; Noel, H.; Paul, C.; Michor, H.; Rogl, P.; Keller, L.; Roisnel, T.","Novel (Zn9)-cluster compounds RE2 Zn6 Ge3 (RE= La, Ce, Pr, Nd, Sm, Gd): crystal structure and physical properties","Journal of Physics: Condensed Matter","2003","15","","3053","3067","","","","","","","","","","","","","","","","","","","","","","has coordinates","159800","2020-10-21","18:00:00",""
"1533550","7.6769","","7.6769","","4.1159","","90","","90","","120","","210.072","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ce2 Zn6 Ge3","","- Ce2 Ge3 Zn6 -","- Ce2 Ge3 Zn6 -","- Ce2 Ge3 Zn6 -","1","0.0833333","","Grytsiv, A.V.; Roisnel, T.; Bauer, E.; Hilscher, G.; Berger, S.; Paul, C.; Michor, H.; Rogl, P.; Daoud-Aladine, A.; Keller, L.; Noel, H.","Novel (Zn9)-cluster compounds RE2 Zn6 Ge3 (RE = La, Ce, Pr, Nd, Sm,Gd): crystal structure and physical properties","Journal of Physics: Condensed Matter","2003","15","","3053","3067","","","","","","","","","","","","","","","","","","","","","","has coordinates","159804","2020-10-21","18:00:00",""
"1533554","7.6543","","7.6543","","4.0984","","90","","90","","120","","207.949","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Pr2 Zn6 Ge3","","- Ge3 Pr2 Zn6 -","- Ge3 Pr2 Zn6 -","- Ge3 Pr2 Zn6 -","1","0.0833333","","Grytsiv, A.V.; Bauer, E.; Noel, H.; Berger, S.; Michor, H.; Rogl, P.; Paul, C.; Hilscher, G.; Daoud-Aladine, A.; Roisnel, T.; Keller, L.","Novel (Zn9)-cluster compounds RE2 Zn6 Ge3 (RE = La, Ce, Pr, Nd, Sm,Gd): crystal structure and physical properties","Journal of Physics: Condensed Matter","2003","15","","3053","3067","","","","","","","","","","","","","","","","","","","","","","has coordinates","159808","2020-10-21","18:00:00",""
"1533558","7.6378","","7.6378","","4.0817","","90","","90","","120","","206.209","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Nd2 Zn6 Ge3","","- Ge3 Nd2 Zn6 -","- Ge3 Nd2 Zn6 -","- Ge3 Nd2 Zn6 -","1","0.0833333","","Grytsiv, A.V.; Bauer, E.; Berger, S.; Hilscher, G.; Michor, H.; Paul, C.; Daoud-Aladine, A.; Roisnel, T.; Rogl, P.; Keller, L.; Noel, H.","Novel (Zn9)-cluster compounds RE2 Zn6 Ge3 (RE = La, Ce, Pr, Nd, Sm,Gd): crystal structure and physical properties","Journal of Physics: Condensed Matter","2003","15","","3053","3067","","","","","","","","","","","","","","","","","","","","","","has coordinates","159812","2020-10-21","18:00:00",""
"1533562","7.6119","","7.6119","","4.0519","","90","","90","","120","","203.318","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sm2 Zn6 Ge3","","- Ge3 Sm2 Zn6 -","- Ge3 Sm2 Zn6 -","- Ge3 Sm2 Zn6 -","1","0.0833333","","Grytsiv, A.V.; Bauer, E.; Roisnel, T.; Hilscher, G.; Berger, S.; Michor, H.; Daoud-Aladine, A.; Paul, C.; Noel, H.; Rogl, P.; Keller, L.","Novel (Zn9)-cluster compounds RE2 Zn6 Ge3 (RE = La, Ce, Pr, Nd, Sm,Gd): crystal structure and physical properties","Journal of Physics: Condensed Matter","2003","15","","3053","3067","","","","","","","","","","","","","","","","","","","","","","has coordinates","159816","2020-10-21","18:00:00",""
"1533566","7.5939","","7.5939","","4.0295","","90","","90","","120","","201.239","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Gd2 Zn6 Ge3","","- Gd2 Ge3 Zn6 -","- Gd2 Ge3 Zn6 -","- Gd2 Ge3 Zn6 -","1","0.0833333","","Grytsiv, A.V.; Noel, H.; Berger, S.; Bauer, E.; Michor, H.; Keller, L.; Hilscher, G.; Rogl, P.; Paul, C.; Roisnel, T.; Daoud-Aladine, A.","Novel (Zn9)-cluster compounds RE2 Zn6 Ge3 (RE = La, Ce, Pr, Nd, Sm,Gd): crystal structure and physical properties","Journal of Physics: Condensed Matter","2003","15","","3053","3067","","","","","","","","","","","","","","","","","","","","","","has coordinates","159820","2020-10-21","18:00:00",""
"1533741","12.32108","","12.32108","","12.32108","","90","","90","","90","","1870.45","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Al78.2 Si9.7 Cu32.5 Fe16","","- Al78.2 Cu32.5 Fe16 Si9.7 -","- Al78.168 Cu32.53 Fe16.02 Si9.672 -","- Al78.168 Cu32.53 Fe16.02 Si9.672 -","1","0.0416667","","Stadnik, Z.M.; Takeuchi, T.; Tanaka, N.; Mizutani, U.","Structural, Mossbauer and transport studies of the icosahedral quasicrystals Al55 Si7 Cu25.5 Fe12.5, Al62.5 Cu24.5 Fe13 and the crystalline 1/1 approximant Al55 Si7 Cu25.5 Fe12.5","Journal of Physics: Condensed Matter","2003","15","","6365","6380","","","","","","","","","","","","","","","","","","","","","","has coordinates","160010","2020-10-21","18:00:00",""
"1533809","6.7805","","6.7805","","24.689","","90","","90","","90","","1135.08","","","","","","","","","","","","","11","P 41","P 4w","76","","(Ce0.87 La0.41 Nd0.35 Y0.12 Pr0.09 Sm0.07 Gd0.06 Dy0.01 Ca0.01) (Si2 O7)","","- Ca0.01 Ce0.87 Dy0.01 Gd0.06 La0.41 Nd0.35 O7 Pr0.09 Si2 Sm0.07 Y0.12 -","- Ca0.01 Ce0.87 Dy0.01 Gd0.06 La0.41 Nd0.35 O7 Pr0.09 Si2 Sm0.07 Y0.12 -","- Ca0.08 Ce6.96 Dy0.08 Gd0.48 La3.28 Nd2.8 O56 Pr0.72 Si16 Sm0.56 Y0.96 -","8","2","","Holtstam, D.; Norrestam, R.; Andersson, U.B.","Percleveite-(Ce) - a new lanthanide disilicate mineral from Bastnas, Skinnskatterberg, Sweden","European Journal of Mineralogy (1,1989-)","2003","15","","725","731","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534003","5.269","","9.092","","10.197","","90","","100.12","","90","","480.895","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","K (Na Mg2) (Si4 O10 F2)","","- F2 K Mg2 Na O10 Si4 -","- F2 K Mg2 Na O10 Si4 -","- F4 K2 Mg4 Na2 O20 Si8 -","2","0.25","","Pekov, I.V.; Ferraris, G.; Chukanov, N.V.; Ivaldi, G.; Zadov, A.E.; Pushcharovskii, D.Yu.","Shirokshinite, K (Na Mg2) Si4 O10 F, a new mica with octahedral Na from Khibiny massif, Kola peninsula: descriptive data and structural disorder","European Journal of Mineralogy (1,1989-)","2003","15","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534023","19.128","","7.0799","","5.3824","","90","","90","","90","","728.908","","","","","","","","","","","","","10","P n m n","-P 2n 2n","58","","(Sr1.18 Na0.66 Ca0.12) Na (Na1.30 Mn0.36 Fe0.22 Mg0.12) Ti3 O2 (Si2 O7)2 (O H)2","","- Ca0.12 Fe0.22 H2 Mg0.12 Mn0.36 Na2.96 O18 Si4 Sr1.18 Ti3 -","- Ca0.12 Fe0.22 Mg0.12 Mn0.36 Na2.96 O18 Si4 Sr1.18 Ti3 -","- Ca0.24 Fe0.44 Mg0.24 Mn0.72 Na5.92 O36 Si8 Sr2.36 Ti6 -","2","0.25","","Krivovichev, S.V.; Armbruster, T.; Yakovenchuk, V.N.; Pakhomovskii, Ya.A.; Men'shikov, Yu.P.","Crystal structures of lamprophyllite-2M and lamprophyllite-2O from the Lovozero alkaline massif, Kola peninsula, Russia","European Journal of Mineralogy (1,1989-)","2003","15","","711","718","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534025","19.215","","7.061","","5.3719","","90","","96.797","","90","","723.721","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(Sr1.18 Na0.66 Ca0.12) Na (Na1.30 Mn0.36 Fe0.22 Mg0.12) Ti3 O2 (Si2 O7)2 (O H)2","","- Ca0.12 Fe0.22 H2 Mg0.12 Mn0.36 Na2.96 O18 Si4 Sr1.18 Ti3 -","- Ca0.12 Fe0.22 Mg0.12 Mn0.36 Na2.96 O18 Si4 Sr1.18 Ti3 -","- Ca0.24 Fe0.44 Mg0.24 Mn0.72 Na5.92 O36 Si8 Sr2.36 Ti6 -","2","0.25","","Krivovichev, S.V.; Armbruster, T.; Pakhomovskii, Ya.A.; Yakovenchuk, V.N.; Men'shikov, Yu.P.","Crystal structures of lamprophyllite-2M and lamprophyllite-2O from the Lovozero alkaline massif, Kola peninsula, Russia","European Journal of Mineralogy (1,1989-)","2003","15","","711","718","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534272","5.84","","5.84","","5.84","","61.2","","61.2","","61.2","","144.641","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Na2 (Sn (O H)6)","","- H6 Na2 O6 Sn -","- H6 Na2 O6 Sn -","- H6 Na2 O6 Sn -","1","0.166667","","Bjoerling, C.O.","The crystal structure of potassium hydroxostannate and some related compounds.","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1534273","5.68","","5.68","","5.68","","70.1","","70.1","","70.1","","156.708","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K2 (Sn (O H)6)","","- H6 K2 O6 Sn -","- H6 K2 O6 Sn -","- H6 K2 O6 Sn -","1","0.166667","","Bjoerling, C.O.","The crystal structure of potassium hydroxostannate and some related compounds.","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1534274","5.65","","5.65","","5.65","","69","","69","","69","","151.629","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K2 (Pt (O H)6)","","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","1","0.166667","","Bjoerling, C.O.","The crystal structure of potassium hydroxostannate and some related compounds.","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1534637","4.76","","10.224","","5.99","","90","","90","","90","","291.511","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Mg1.78 Fe0.22) (Si O4)","","- Fe0.22 Mg1.78 O4 Si -","- Fe0.22 Mg1.78 O4 Si -","- Fe0.88 Mg7.12 O16 Si4 -","4","0.5","","Litvin, A.L.; Semenenko, V.P.; Egorova, L.N.; Ostapenko, S.S.","Mg-Fe-distribution in the structures of five olivines from meteorites","Mineralogiceskij Zhurnal","1993","15","","46","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535460","10.34","","7.06","","6.67","","90","","122.33","","90","","411.432","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Co Cl2 (H2 O)6","","- Cl2 Co H12 O6 -","- Cl2 Co O6 -","- Cl4 Co2 O12 -","2","0.25","","Mizuno, J.","An X-ray study on the structure of cobalt dichloride hexahydrate","Journal of the Physical Society of Japan","1960","15","","1412","1420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535835","5.284","","5.284","","12.78","","90","","90","","120","","309.02","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ba Ca (C O3)2","","- C Ba Ca O3 -","- C Ba Ca O3 -","- C2 Ba2 Ca2 O6 -","2","0.166667","","Donnay, G.; Preston, H.","Ewaldite, a New Barium Calcium Carbonate","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1971","15","","201","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536161","10.1939","","10.1939","","10.1939","","90","","90","","90","","1059.31","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi25.333 Zn0.667 O40","","- Bi25.333 O40 Zn0.667 -","- Bi25.3334 O40 Zn0.6666 -","- Bi25.3334 O40 Zn0.6666 -","1","0.0416667","","Craig, D.C.; Stephenson, N.C.","Structural studies of some body-centered cubic phases of mixed oxides involving Bi2 O3: the structures of Bi25 Fe O40 and Bi38 Zn O60","Journal of Solid State Chemistry","1975","15","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","163769","2020-10-21","18:00:00",""
"1536207","8.169","","8.169","","5.337","","90","","90","","90","","356.152","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Sr2 Zn (Ge2 O7)","","- Ge2 O7 Sr2 Zn -","- Ge2 O7 Sr2 Zn -","- Ge4 O14 Sr4 Zn2 -","2","0.25","","Ochi, Y.; Tanaka, K.; Morikawa, H.; Marumo, F.","The crystal structure of Sr2 Zn Ge2 O7","Kobutsugaku Zasshi (= Journal of the Mineralogical Society of Japan)","1982","15","","331","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537385","7.43","","6.81","","8.15","","101","","110","","120","","300.597","","","","","","","","","","","","","4","P -1","-P 1","2","","Na2 (B2 (O2)2 (O H)4) (H2 O)6","","- B2 H16 Na2 O14 -","- B2 Na2 O14 -","- B2 Na2 O14 -","1","0.5","","Hansson, A.","On the crystal structure of hydrated sodium peroxoborate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1961","15","","934","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537517","3.888","","14.082","","3.734","","90","","90","","90","","204.44","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mo O2.5 (O H).5","","- H0.5 Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.25","","Kihlborg, L.; Roennquist, A.; Haegerstroem, G.","On Molybdenum Oxide Hydroxides Genotypic with Mo O3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1961","15","","1187","1188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537595","13.093","","8.275","","8.974","","90","","104.94","","90","","939.417","","","","","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","Ni2 (P2 O7)","","- Ni2 O7 P2 -","- Ni2 O7 P2 -","- Ni16 O56 P16 -","8","","","Lukaszewicz, K.","Crystal structure of alpha-Ni2 P2 O7","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1967","15","","47","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","165868","2020-10-21","18:00:00",""
"1537783","8.569","","8.569","","8.569","","90","","90","","90","","629.202","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Pr3 S4 -","- Pr3 S4 -","- Pr12 S16 -","4","0.0833333","","Dernier, P.D.; Bucher, E.; Longinotti, L.D.","Temperature induced symmetry transformation in the Th3P4-type compounds La3 S4, La3 Se4, Pr3 S4 and Pr3 Se4","Journal of Solid State Chemistry","1975","15","","203","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537786","8.9038","","8.9038","","8.9038","","90","","90","","90","","705.872","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Pr3 Se4 -","- Pr3 Se4 -","- Pr12 Se16 -","4","0.0833333","","Dernier, P.D.; Bucher, E.; Longinotti, L.D.","Temperature induced symmetry transformation in the Th3P4-type compounds La3 S4, La3 Se4, Pr3 S4 and Pr3 Se4","Journal of Solid State Chemistry","1975","15","","203","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538049","5.706","","5.706","","5.706","","90","","90","","90","","185.778","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Tm Se","","- Se Tm -","- Se Tm -","- Se4 Tm4 -","4","0.0208333","","Haen, P.; Mignot, J.M.; Lapierre, F.; Tournier, R.","Magnetoresistance and Hall effect of Tm Se as a function of stoichiometry","Journal of Magnetism and Magnetic Materials","1980","15","","989","990","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538082","4.2341","","4.2341","","4.2341","","90","","90","","90","","75.907","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- La Pd3 -","- La Pd3 -","- La Pd3 -","1","0.0208333","","Harris, I.R.; Norman, M.","The electronic state of cerium in some palladium alloys","Journal of the Less-Common Metals","1968","15","","285","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538139","3.895","","3.895","","3.214","","90","","90","","90","","48.76","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Ni Zn -","- Ni Zn -","- Ni2 Zn2 -","2","0.125","","Heike, W.; Schramm, J.; Vaupel, O.","Zu dem System Nickel-Zink","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1936","15","","655","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538192","4.96","","4.96","","3.65","","90","","90","","120","","77.765","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Hg2 La -","- Hg2 La -","- Hg2 La -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurrence of the MX2 phases of the rare earths with the IB, IIB and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538229","6.462","","3.494","","6.222","","90","","90","","90","","140.482","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ti Se","","- Se Ti -","- Se Ti -","- Se4 Ti4 -","4","0.5","","Gronvold, F.; Langmyhr, F.J.","X-ray study of titanium selenides","Acta Chemica Scandinavica (1-27,1973-42,1988)","1961","15","","1949","1962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538348","13.71","","13.71","","5.985","","90","","90","","90","","1124.96","","","","","","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- Nb O2 -","- Nb O2 -","- Nb32 O64 -","32","2","","Marinder, B.O.","Note on the crystal structure of niobium dioxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1961","15","","707","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538465","6.62","","6.62","","7.92","","90","","90","","120","","300.588","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Al8 Si6 Mg3 Fe","","- Al8 Fe Mg3 Si6 -","- Al8 Fe Mg3 Si6 -","- Al8 Fe Mg3 Si6 -","1","0.0833333","","Perlitz, H.; Westgren, A.","The Crystal Structure of Al8 Si6 Mg3 Fe","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538655","12.569","","3.267","","5.831","","90","","115.85","","90","","215.479","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","V3 S4","","- S4 V2.72 -","- S4 V2.72 -","- S8 V5.44 -","2","0.25","","Kawada, I.; Nakano-Onoda, M.; Ishii, M.; Saeki, M.; Nakahira, M.","Crystal structures of V3 S4 and V5 S8","Journal of Solid State Chemistry","1975","15","","246","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","167328","2020-10-21","18:00:00",""
"1538730","5.747","","5.747","","5.747","","90","","90","","90","","189.812","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr S -","- Pr S -","- Pr4 S4 -","4","0.0208333","","Marchenko, V.I.; Samsonov, G.V.","Thermal poroperties of the sulphides of certain lanthanides","Physics of Metals and Metallography","1963","15","","131","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538732","5.788","","5.788","","5.788","","90","","90","","90","","193.903","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La S -","- La S -","- La4 S4 -","4","0.0208333","","Marchenko, V.I.; Samsonov, G.V.","Thermal properties of the sulphides of certain lanthanides","Physics of Metals and Metallography","1963","15","","131","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538734","8.706","","8.706","","8.706","","90","","90","","90","","659.866","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- La2.667 S4 -","- La2.667 S4 -","- La10.668 S16 -","4","0.0833333","","Marchenko, V.I.; Samsonov, G.V.","Thermal properties of the sulphides of certain lanthanides","Physics of Metals and Metallography","1963","15","","131","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538737","5.69","","5.69","","5.69","","90","","90","","90","","184.22","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd S -","- Nd S -","- Nd4 S4 -","4","0.0208333","","Marchenko, V.I.; Samsonov, G.V.","Thermal properties of the suphides of certain lanthanides","Physics of Metals and Metallography","1963","15","","131","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538740","8.599","","8.599","","8.599","","90","","90","","90","","635.834","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Nd2.667 S4 -","- Nd2.667 S4 -","- Nd10.668 S16 -","4","0.0833333","","Marchenko, V.I.; Samsonov, G.V.","Thermal properties of the sulphides of certain lanthanides","Physics of Metals and Metallography","1963","15","","131","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538847","5.253","","5.253","","5.253","","90","","90","","90","","144.951","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Yb H2","","- H2 Yb -","- H2 Yb -","- H8 Yb4 -","4","0.0208333","","Messer, C.E.; Gianoukos, P.C.","A crystallographic study of the orthorhombic to cubic phase transition in ytterbium dihydride","Journal of the Less-Common Metals","1968","15","","377","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538893","4.12","","4.12","","5.74","","90","","90","","120","","84.38","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn Sb -","- Mn Sb -","- Mn2 Sb2 -","2","0.0833333","","Kurinobu, S.; Uchiyama, S.; Fujii, T.; Yamada, K.","A determination of vapor pressure-temperature relation of oxygen based on latent heat measurements at normal boiling point","Japanese Journal of Applied Physics","1976","15","","1073","1078","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539172","4.37","","4.37","","5.475","","90","","90","","120","","90.548","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn1.71 Sn0.98 -","- Mn1.71 Sn0.98 -","- Mn3.42 Sn1.96 -","2","0.0833333","","Satya Murthy, N.S.; Murthy, M.R.L.N.; Srinivasan, B.S.; Begum, R.J.","Atomic and magnetic structure of Mn1.74 Sn","Physics Letters","1965","15","","225","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539249","4.535","","11.96","","4.187","","90","","90","","90","","227.097","","","","","","","","","","","","","3","C m c m (c,b,-a)","-C 2c 2 (z,y,-x)","63","","Sb Tl Se2","","- Sb Se2 Tl -","- Sb Se2 Tl -","- Sb2 Se4 Tl2 -","2","","","Wacker, K.; Buck, P.","X-ray investigations of thallium-antimony selenide Tl Sb Se2","Materials Research Bulletin","1980","15","","1105","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539298","6.231","","6.231","","6.231","","90","","90","","90","","241.921","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Pd Sb -","- Mn Pd Sb -","- Mn4 Pd4 Sb4 -","4","0.0416667","","Webster, P.J.; Ziebeck, K.R.A.","Structures of Pd2-x Mn Sb - an improved neutron polarizer?","Journal of Magnetism and Magnetic Materials","1980","15","","473","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539332","7.06","","7.06","","8.07","","90","","90","","90","","402.238","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","Rb3 Ta O8","","- O8 Rb3 Ta -","- O8 Rb3 Ta -","- O16 Rb6 Ta2 -","2","0.125","","Wilson, I.","X-ray analysis of potassium perchromate K3 Cr O8 and isomorphous compounds","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539765","10.155","","10.286","","16.732","","96.5","","87.18","","108.99","","1641.84","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)12 (V10 O28)2 (H2 O)12","","- H48 N12 O68 V20 -","- H48 N12 O68 V20 -","- H48 N12 O68 V20 -","1","0.5","","Cheng, C.-Z.; Shao, S.-B.; Huang, X.-Y.; Lin, Z.-B.","Crystal structure of dodecaammonium dodecavanadate dodecahydrate","Jiegon Huaxue","1996","15","","40","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","168787","2020-10-21","18:00:00",""
"1539768","9.444","","9.444","","6.829","","90","","90","","120","","527.472","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Mn Sm4 (Si O4)3 O","","- Mn O10 Si3 Sm4 -","- Mn O10 Si3 Sm4 -","- Mn2 O20 Si6 Sm8 -","2","0.166667","","Chi Lisheng; Huang, J.-S.; Zhang, H.-H.; Deng Shui-Quan","Synthesis and crystal structure of Mn Sm4 (Si O4)3 O","Jiegon Huaxue","1996","15","","113","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539815","3.85","","3.85","","46.27","","90","","90","","120","","593.952","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","In2 Zn2 S5","","- In2 S5 Zn2 -","- In2 S5 Zn2 -","- In6 S15 Zn6 -","3","0.166667","","Donika, F.G.; Radautsan, S.I.; Mustya, I.G.; Kiosse, G.A.; Semiletov, S.A.; Donika, T.V.","Crystal structure of the double-pack polytype Zn In2 S4 (II)a, and more careful determination of the structure of the triple-pack polytype Zn In2 S4 (III)a","Soviet Physics, Crystallography (= Kristallografiya)","1971","15","","698","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","168866","2020-10-21","18:00:00",""
"1539951","4.53","","4.53","","2.869","","90","","90","","90","","58.874","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","V O2","","- O2 V -","- O2 V -","- O4 V2 -","2","0.125","","Westman, S.","Note on a phase transition in V O2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1961","15","","217","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540142","4.9834","","4.9834","","13.7555","","90","","90","","120","","295.841","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Cr0.5 V0.5)2 O3","","- Cr O3 V -","- Cr O3 V -","- Cr6 O18 V6 -","6","0.166667","","Iimura, Y.; Oyama, T.; Kaeasaki, N.; Ishii, T.; Takeuchi, K.","Powder x-ray analysis of a Cr-V oxide synthesized by a CO2 laser-induced chain reaction","Reza Kagaku Kenkyu","1993","15","","125","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540198","3.278","","3.278","","5.41","","90","","90","","120","","50.344","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zr4 D3 N2","","- D3 N2 Zr4 -","- D3.08 N2 Zr4 -","- D3.08 N2 Zr4 -","1","0.0416667","","Kalinin, V.P.","The crystal structure of Zr2 N D1.54","Ukrains'kii Fizichnii Zhurnal (Ukrainian Edition)","1970","15","","842","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","169416","2020-10-21","18:00:00",""
"1540286","3.02","","3.02","","3.02","","90","","90","","90","","27.544","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tc V -","- Tc V -","- Tc V -","1","0.0208333","","Koch, C.C.; Love, G.R.","An investigation of the vanadium-technetium alloy system","Journal of the Less-Common Metals","1968","15","","43","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540325","27.629","","3.863","","15.705","","90","","95.9","","90","","1667.33","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pb6 In10 S21","","- In10 Pb6 S21 -","- In10 Pb6 S21 -","- In20 Pb12 S42 -","2","0.25","","Kramer, V.; Berroth, K.","Phase investigations in the system Pb S - In2 S3 and the crystal structures of Pb In2 S4 and Pb6 In10 S21","Materials Research Bulletin","1980","15","","299","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","169583","2020-10-21","18:00:00",""
"1541203","7.758","","20.092","","6.241","","90","","90","","90","","972.808","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Pr (Nb5 O14)","","- Nb5 O14 Pr -","- Nb5 O14 Pr -","- Nb20 O56 Pr4 -","4","0.5","","Mao, J.-G.; Zhuang, H.-H.; Huang, J.-S.","Preparation and crystal structure of Pr Nb5 O14","Jiegon Huaxue","1996","15","","35","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541549","12.465","","12.465","","12.465","","90","","90","","90","","1936.77","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Ca3 Fe2 (Fe1.5 V1.5) O12","","- Ca3 Fe3.5 O12 V1.5 -","- Ca3 Fe3.5 O12 V1.5 -","- Ca24 Fe28 O96 V12 -","8","0.0833333","","Dukhovskaya, E.L.; Lipin, Yu.V.; Nozik, Yu.Z.","Neutron-diffraction study of the garnet ferrite Ca3 Fe3.5 V1.5 O12","Kristallografiya","1970","15","","1247","1248","","","","","","","","","","","","","","","","","","","","","","has coordinates","172900","2020-10-21","18:00:00",""
"1541777","6.21","","10.9","","12.94","","90","","95","","90","","872.563","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 (Cr2 O7) (H2 O)2","","- Cr2 H4 Na2 O9 -","- Cr2 Na2 O9 -","- Cr8 Na8 O36 -","4","2","","Kharitonov, Yu.A.; Kuz'min, E.A.; Belov, N.V.","Determination of the crystal structure of sodium bichromate Na2 Cr2 O7 (H2 O)2","Kristallografiya","1970","15","","942","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542007","10.41","","6.721","","12.49","","90","","102.65","","90","","852.658","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Y2 (Si O4) O","","- O5 Si Y2 -","- O5 Si Y2 -","- O40 Si8 Y16 -","8","1","","Maksimov, B.A.; Ilyukhin, V.V.; Kharitonov, Yu.A.; Belov, N.V.","Crystal structure of yttrium oxyorthosilicate Y2 O3 Si O2 and Y2 Si O5. Dual function of yttrium","Kristallografiya","1970","15","","926","933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542047","13.172","","8.29","","9.053","","90","","105.18","","90","","954.058","","","","","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","Mg2 (P2 O7)","","- Mg2 O7 P2 -","- Mg2 O7 P2 -","- Mg16 O56 P16 -","8","","","Lukaszewicz, K.","Crystal structure of alpha-Mg2 P2 O7 and the mechanism of the phase transition beta-alpha-Mg2 P2 O7","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1967","15","","53","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","173974","2020-10-21","18:00:00",""
"1542913","9.94167","0.00014","11.68932","0.00013","15.15921","0.00019","90","","107.862","0.0015","90","","1676.76","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-phenyl-3 (pyren-1-yl)-1H-pyrazole","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Flamholc, Rafał; Zakrzewski, Janusz; Makal, Anna; Brosseau, Arnaud; Métivier, Rémi","Synthesis, regioselective aerobic Pd(ii)-catalyzed C-H bond alkenylation and the photophysical properties of pyrenylphenylpyrazoles.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","4","580","588","10.1039/c6pp00009f","","x-ray","0.71073","MoKα","","0.0443","0.0422","","","0.1187","0.1202","","","","","","1.105","","","","has coordinates","182794","2020-10-21","18:00:00",""
"1542914","9.13704","0.0001","8.8076","0.00013","21.4207","0.0002","90","","93.0448","0.001","90","","1721.41","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-phenyl-5 (pyren-1-yl)-1H-pyrazole","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Flamholc, Rafał; Zakrzewski, Janusz; Makal, Anna; Brosseau, Arnaud; Métivier, Rémi","Synthesis, regioselective aerobic Pd(ii)-catalyzed C-H bond alkenylation and the photophysical properties of pyrenylphenylpyrazoles.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","4","580","588","10.1039/c6pp00009f","","x-ray","1.54184","CuKα","","0.0427","0.0398","","","0.1147","0.117","","","","","","1.094","","","","has coordinates","182794","2020-10-21","18:00:00",""
"1543204","11.2593","0.0002","32.8268","0.0006","16.8592","0.0003","90","","97.612","0.002","90","","6176.36","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl12 Eu2 O33 -","- C42 H48 Cl12 Eu2 O33 -","- C168 H192 Cl48 Eu8 O132 -","4","1","","Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng","A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","6","744","751","10.1039/c6pp00059b","","","0.71073","MoKα","","0.0464","0.0401","","","0.0939","0.0978","","","","","","0.694","","","","has coordinates","183789","2020-10-21","18:00:00",""
"1543205","11.2461","0.0002","32.8782","0.0005","16.8424","0.0003","90","","97.574","0.002","90","","6173.17","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl12 Gd2 O33 -","- C42 H48 Cl12 Gd2 O33 -","- C168 H192 Cl48 Gd8 O132 -","4","1","","Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng","A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","6","744","751","10.1039/c6pp00059b","","","0.71073","MoKα","","0.0425","0.0366","","","0.0865","0.0905","","","","","","0.633","","","","has coordinates","183789","2020-10-21","18:00:00",""
"1543206","11.1659","0.0003","32.7362","0.0007","16.765","0.0005","90","","97.458","0.003","90","","6076.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl12 O33 Tb2 -","- C42 H48 Cl12 O33 Tb2 -","- C168 H192 Cl48 O132 Tb8 -","4","1","","Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng","A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","6","744","751","10.1039/c6pp00059b","","","0.71073","MoKα","","0.0889","0.0719","","","0.1612","0.1716","","","","","","1.116","","","","has coordinates","183789","2020-10-21","18:00:00",""
"1544240","8.1397","0.0009","15.2283","0.0016","18.0213","0.0019","90","","102.251","0.002","90","","2182.9","0.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","eisrs02","","","- C23 H23 F6 N2 O P -","- C23 H23 F6 N2 O P -","- C92 H92 F24 N8 O4 P4 -","4","1","","Sabatini, Randy P.; Mark, Michael F.; Mark, Daniel J.; Kryman, Mark W.; Hill, Jacqueline E.; Brennessel, William W.; Detty, Michael R.; Eisenberg, Richard; McCamant, David W.","A comparative study of the photophysics of phenyl, thienyl, and chalcogen substituted rhodamine dyes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","11","1417","1432","10.1039/c6pp00233a","","","0.71073","MoKα","","0.0798","0.0524","","","0.1429","0.1622","","","","","","1.037","","","","has coordinates,has disorder","190278","2020-10-21","18:00:00",""
"1544241","15.031","0.002","21.396","0.003","7.4045","0.0011","90","","102.883","0.003","90","","2321.4","0.6","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","eisrs03","","","- C21 H21 F6 N2 O P S -","- C21 H21 F6 N2 O P S -","- C84 H84 F24 N8 O4 P4 S4 -","4","1","","Sabatini, Randy P.; Mark, Michael F.; Mark, Daniel J.; Kryman, Mark W.; Hill, Jacqueline E.; Brennessel, William W.; Detty, Michael R.; Eisenberg, Richard; McCamant, David W.","A comparative study of the photophysics of phenyl, thienyl, and chalcogen substituted rhodamine dyes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","11","1417","1432","10.1039/c6pp00233a","","","0.71073","MoKα","","0.0957","0.0523","","","0.1119","0.1289","","","","","","1.014","","","","has coordinates,has disorder","190278","2020-10-21","18:00:00",""
"1544242","8.164","0.005","8.507","0.005","19.437","0.009","90.22","0.03","90.11","0.03","90.19","0.02","1349.9","1.3","296","","296","","","","","","","","","4","P 1","P 1","1","","","","- C16 H17 N O2 -","- C16 H16 N O2 -","- C64 H64 N4 O8 -","4","4","","Maeda, Hajime; Takenaka, Hiroki; Mizuno, Kazuhiko","Intermolecular hydrogen bonding controlled stereoselective photocycloaddition of vinyl ethers to 1-cyanonaphthalenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","11","1385","1392","10.1039/c6pp00281a","","","0.71075","MoKα","","0.1888","0.1534","","","0.3799","0.3958","","","","","","2.467","","","","has coordinates","190279","2020-10-21","18:00:00",""
"1544283","7.2084","0.0006","11.366","0.0009","20.0517","0.0016","74.296","0.003","80.187","0.003","87.543","0.003","1558.4","0.2","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C31 H23.5 Cl2 F6 N5.5 O P Ru -","- C31 H23.5 Cl2 F6 N5.5 O P Ru -","- C62 H47 Cl4 F12 N11 O2 P2 Ru2 -","2","1","","Akl, Joelle; Sasaki, Isabelle; Lacroix, Pascal G.; Hugues, Vincent; Vicendo, Patricia; Bocé, Mathilde; Mallet-Ladeira, Sonia; Blanchard-Desce, Mireille; Malfant, Isabelle","trans- and cis-(Cl,Cl)-[Ru(II)(FT)Cl2(NO)](PF6): promising candidates for NO release in the NIR region.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","12","1484","1491","10.1039/c6pp00181e","","x-ray","0.71073","MoKα","","0.0509","0.0373","","","0.0874","0.0944","","","","","","1.057","","","","has coordinates,has disorder","190277","2020-10-21","18:00:00",""
"1544284","10.8118","0.0012","11.8295","0.0011","12.3991","0.0014","103.956","0.005","108.342","0.005","101.033","0.005","1398","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H22 Cl2 N5 O3.5 Ru -","- C30 H22 Cl2 N5 O3.5 Ru -","- C60 H44 Cl4 N10 O7 Ru2 -","2","1","","Akl, Joelle; Sasaki, Isabelle; Lacroix, Pascal G.; Hugues, Vincent; Vicendo, Patricia; Bocé, Mathilde; Mallet-Ladeira, Sonia; Blanchard-Desce, Mireille; Malfant, Isabelle","trans- and cis-(Cl,Cl)-[Ru(II)(FT)Cl2(NO)](PF6): promising candidates for NO release in the NIR region.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","12","1484","1491","10.1039/c6pp00181e","","x-ray","0.71073","MoKα","","0.0946","0.0454","","","0.0934","0.1221","","","","","","1.028","","","","has coordinates,has disorder","190277","2020-10-21","18:00:00",""
"1544407","6.9628","0.0009","14.115","0.0015","14.1917","0.0014","112.085","0.005","96.677","0.007","97.399","0.007","1260.9","0.3","162","2","162","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Br N2 O5 S2 -","- C27 H25 Br N2 O5 S2 -","- C54 H50 Br2 N4 O10 S4 -","2","1","","Finkler, Björn; Riemann, Iris; Vester, Michael; Grüter, Andreas; Stracke, Frank; Jung, Gregor","Monomolecular pyrenol-derivatives as multi-emissive probes for orthogonal reactivities.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","12","1544","1557","10.1039/c6pp00290k","","","0.71073","MoKα","","0.0712","0.0488","","","0.1173","0.1295","","","","","","1.057","","","","has coordinates","190276","2020-10-21","18:00:00",""
"1544719","9.915","0.009","9.915","0.009","2.866","0.003","90","","90","","90","","281.7","0.5","","","","","","","","","","","","3","I 4/m","-I 4","87","Rb1.5Mn8O16","","synthetic hollandite","- Mn8 O16 Rb1.5 -","- Mn8 O16 Rb1.514 -","- Mn8 O16 Rb1.514 -","1","0.0625","","Yamamoto, N.; Oka, Y.; Tamada, O.","Single crystal growth and structure determination of Rb1.5Mn8O16 hollandite","Mineralogical Journal","1990","15","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","188874","2020-10-21","18:00:00",""
"1544720","9.832","0.001","9.832","0.001","2.8648","0.0005","90","","90","","90","","276.94","0.06","","","","","","","","","","","","7","I 4/m","-I 4","87","(K0.98Na0.33Ba0.06)(Mn7.84Fe0.16)O16*0.16H2O","","cryptomelane","- Ba0.06 Fe0.16 H0.32 K0.98 Mn7.84 Na0.33 O16.16 -","- Ba0.06 Fe0.16 K0.98 Mn7.84 Na0.33 O16 -","- Ba0.06 Fe0.16 K0.98 Mn7.84 Na0.33 O16 -","1","0.0625","","Kubo, H.; Miura, H.; Hariya, Y.","Tetragonal-monoclinic transformation of cryptomelane at high temperature","Mineralogical Journal","1990","15","","50","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","188875","2020-10-21","18:00:00",""
"1544721","9.907","0.007","2.865","0.001","9.676","0.008","90","","90.52","0.07","90","","274.6","0.3","","","","","","","","","","","","6","I 1 2/m 1","-I 2y","12","(K1.21Na0.44Ba0.08)(Mn7.85Fe0.15)O16","","monoclinic cryptomelane","- Ba0.08 Fe0.15 K1.21 Mn7.85 Na0.44 O16 -","- Ba0.06 Fe0.16 K1.21 Mn7.84 Na0.44 O16 -","- Ba0.06 Fe0.16 K1.21 Mn7.84 Na0.44 O16 -","1","0.125","","Kubo, H.; Miura, H.; Hariya, Y.","Tetragonal-monoclinic transformation of cryptomelane at high temperature","Mineralogical Journal","1990","15","","50","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","209173","2020-10-21","18:00:00",""
"1544726","5.6038","0.0007","5.6038","0.0007","21","0.005","90","","90","","120","","571.1","0.17","","","","","","","","","","","","3","R -3 m","-R 3 2""","166","Ba3(PO4)2","","Ba3(PO4)2","- Ba3 O8 P2 -","- Ba3 O8 P2 -","- Ba9 O24 P6 -","3","","","Sugiyama, K.; Tokonami, M.","The crystal structure refinements of the strontium and barium orthophosphates","Mineralogical Journal","1990","15","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","188886","2020-10-21","18:00:00",""
"1544727","5.3901","0.0008","5.3901","0.0008","19.785","0.005","90","","90","","120","","497.81","0.16","","","","","","","","","","","","3","R -3 m","-R 3 2""","166","Sr3(PO4)2","","Sr3(PO4)2","- O8 P2 Sr3 -","- O8 P2 Sr3 -","- O24 P6 Sr9 -","3","","","Sugiyama, K.; Tokonami, M.","The crystal structure refinements of the strontium and barium orthophosphates","Mineralogical Journal","1990","15","","141","146","10.2465/minerj.15.141","","","","","","","","","","","","","","","","","","","","","has coordinates","188889","2020-10-21","18:00:00",""
"1546832","8.6241","0.0004","12.8186","0.0006","18.8093","0.0011","90","","94.972","0.005","90","","2071.52","0.18","297.4","","297.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Luo, Wenjun; Hu, Haiwen; Nian, Sanfei; Qi, Liang; Ling, Fei; Zhong, Weihui","Phosphine-catalyzed [3 + 2] annulation reaction: highly regio- and diastereoselective synthesis of 2-azaspiro[4.4]nonene-1,3-diones","Organic & Biomolecular Chemistry","2017","15","36","7523","7526","10.1039/C7OB01957B","","","0.71073","MoKα","","0.0902","0.0527","","","0.1261","0.1497","","","","","","1.022","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1547479","7.3454","0.0003","10.9165","0.0005","22.3527","0.0009","90","","90","","90","","1792.37","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M.","Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids","Organic Letters","2013","15","","3480","3483","10.1021/ol401514s","","","0.71073","MoKα","","0.0551","0.0424","","","0.0761","0.0771","","","","","","2.224","","","","has coordinates,has disorder","201509","2020-10-21","18:00:00",""
"1547480","7.1115","0.0003","8.2413","0.0004","26.074","0.0011","90","","90","","90","","1528.15","0.12","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M.","Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids","Organic Letters","2013","15","","3480","3483","10.1021/ol401514s","","","0.71073","MoKα","","0.0605","0.0487","","","0.0732","0.0743","","","","","","2.066","","","","has coordinates","201510","2020-10-21","18:00:00",""
"1550341","6.9784","0.0004","7.3112","0.0004","21.0187","0.0013","81.743","0.005","89.701","0.005","71.272","0.005","1004.12","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Br2 N O S -","- C23 H15 Br2 N O S -","- C46 H30 Br4 N2 O2 S2 -","2","1","","Shan, Yahan; Li, Shiwen; Wang, Rui; Zhu, Si Yi; Wu, Fei; Fu, Yang; Zhu, Linna","Spontaneously hierarchical self-assembly of nanofibres into fluorescent spherical particles: a leap from organogels to macroscopic solid spheres.","Soft matter","2019","15","3","470","476","10.1039/c8sm02106f","","x-ray","0.71073","MoKα","","0.0796","0.0456","","","0.0861","0.1012","","","","","","1.0386","","","","has coordinates","225358","2020-10-21","18:00:00",""
"1550349","5.0978","0.0005","9.7374","0.0008","17.7601","0.0017","90","","92.193","0.009","90","","880.95","0.14","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 O2 -","- C22 H16 N6 O2 -","- C44 H32 N12 O4 -","2","0.5","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0801","0.0585","","","0.1236","0.1332","","","","","","1.105","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550350","7.3603","0.0003","8.618","0.0006","11.0702","0.0006","102.912","0.005","95.079","0.004","108.486","0.005","639.4","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Ag N3 O3 -","- C13 H12 Ag N3 O3 -","- C26 H24 Ag2 N6 O6 -","2","1","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0261","0.023","","","0.0506","0.0521","","","","","","1.045","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550351","7.4404","0.0005","9.0236","0.0007","10.0764","0.0007","89.276","0.006","72.988","0.006","79.287","0.006","635.02","0.08","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N6 O4 S2 -","- C26 H28 N6 O4 S2 -","- C26 H28 N6 O4 S2 -","1","0.5","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0367","0.0318","","","0.0743","0.0771","","","","","","1.047","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550352","11.3109","0.0003","14.7646","0.0003","13.9188","0.0003","90","","105.464","0.003","90","","2240.3","0.09","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Ag Cl N6 O6 -","- C22 H18 Ag Cl N6 O6 -","- C88 H72 Ag4 Cl4 N24 O24 -","4","1","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0324","0.0269","","","0.0559","0.058","","","","","","1.088","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550353","19.2704","0.0006","4.05485","0.00013","33.1511","0.001","90","","92.289","0.003","90","","2588.31","0.14","120","0.1","120","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N8 O4 -","- C28 H30 N8 O4 -","- C112 H120 N32 O16 -","4","0.5","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0489","0.0459","","","0.1133","0.1153","","","","","","1.07","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550354","11.84847","0.00015","11.65924","0.00016","18.1068","0.0003","90","","101.316","0.0015","90","","2452.72","0.06","119.97","0.12","119.97","0.12","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Ag F3 N6 O5 S -","- C23 H18 Ag F3 N6 O5 S -","- C92 H72 Ag4 F12 N24 O20 S4 -","4","1","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0298","0.0251","","","0.0556","0.0579","","","","","","1.04","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550355","11.5489","0.0005","11.6921","0.0005","18.1433","0.0007","90","","101.463","0.004","90","","2401.04","0.18","119.96","0.15","119.96","0.15","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Ag F6 N6 O2 P -","- C22 H18 Ag F6 N6 O2 P -","- C88 H72 Ag4 F24 N24 O8 P4 -","4","1","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0368","0.0319","","","0.0738","0.0772","","","","","","1.049","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1551057","9.2146","0.0003","10.5078","0.0003","31.019","0.0007","92.279","0.002","97.13","0.002","113.899","0.003","2711.22","0.15","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H83.92 F3 N O7.96 S -","- C56 H83.9196 F3 N O7.9598 S -","- C112 H167.839 F6 N2 O15.9196 S2 -","2","1","","Herod, Jordan D.; Bates, Martin A.; Whitwood, Adrian C.; Bruce, Duncan W.","Ionic N-phenylpyridinium tetracatenar mesogens: competing driving forces in mesophase formation and unprecedented difference in phase stabilisation within a homologous series.","Soft matter","2019","15","22","4432","4436","10.1039/c9sm00846b","","x-ray","1.54184","CuKα","","0.0619","0.0528","","","0.1422","0.151","","","","","","1.02","","","","has coordinates,has disorder","225355","2020-10-21","18:00:00",""
"1552116","46.5364","0.0017","4.8799","0.0002","16.5283","0.0006","90","","100.576","0.004","90","","3689.7","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N4 O8 -","- C44 H38 N4 O8 -","- C176 H152 N16 O32 -","4","0.5","","Wang, Zhuoer; Cheng, Qiuhong; Xing, Pengyao; Cao, Zhaozhen; Hao, Aiyou","Hydrogen bonded co-assembly of aromatic amino acids and bipyridines that serves as a sacrificial template in superstructure formation.","Soft matter","2019","15","32","6596","6603","10.1039/c9sm01271k","","x-ray","1.54178","CuKα","","0.0892","0.0723","","","0.1897","0.2012","","","","","","1.126","","","","has coordinates","225356","2020-10-21","18:00:00",""
"1552282","8.1066","0.0007","11.4813","0.001","13.2609","0.0012","93.055","0.005","100.818","0.005","100.577","0.005","1186.78","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N8 O2 S2 -","- C24 H18 N8 O2 S2 -","- C48 H36 N16 O4 S4 -","2","1","","Aschmann, Dennis; Riebe, Steffen; Neumann, Thorben; Killa, Dennis; Ostwaldt, Jan-Erik; Wölper, Christoph; Schmuck, Carsten; Voskuhl, Jens","A stimuli responsive two component supramolecular hydrogelator with aggregation-induced emission properties.","Soft matter","2019","15","36","7117","7121","10.1039/c9sm01513b","","","0.71073","MoKα","","0.0917","0.0502","","","0.1082","0.1257","","","","","","1.042","","","","has coordinates","225357","2020-10-21","18:00:00",""
"1552843","5.9874","0.0005","16.1056","0.0015","23.4443","0.0019","90","","90.04","0.02","90","","2260.7","0.3","172","2","172","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","2","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.0639","0.0476","","","0.099","0.1052","","","","","","1.023","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552844","6.0018","0.0006","16.139","0.002","23.448","0.003","90","0.007","90.032","0.007","90","","2271.2","0.5","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","2","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.0812","0.059","","","0.1216","0.1326","","","","","","1.087","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552845","6.0524","0.0002","16.3826","0.0005","23.4238","0.0007","90","","90","","90","","2322.56","0.13","253","2","253","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.0944","0.0672","","","0.1554","0.1702","","","","","","1.101","","","","has coordinates,has disorder","227479","2020-10-21","18:00:00",""
"1552846","6.0587","0.0003","16.4386","0.001","23.3475","0.0014","90","","90","","90","","2325.3","0.2","260","2","260","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.2101","0.1079","","","0.1813","0.2085","","","","","","1.065","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552847","6.1145","0.0002","17.2901","0.0006","22.4334","0.0008","90","","90","","90","","2371.67","0.14","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.1172","0.0789","","","0.194","0.2185","","","","","","1.083","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1556128","10.49","0.003","10.995","0.002","13.995","0.004","90","","90","","90","","1614.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N4 O4 -","- C15 H20 N4 O4 -","- C60 H80 N16 O16 -","4","1","","Ottersbach, Philipp A.; Schmitz, Janina; Schnakenburg, Gregor; Gütschow, Michael","An access to aza-Freidinger lactams and E-locked analogs.","Organic letters","2013","15","3","448","451","10.1021/ol3030583","","","0.71073","MoKα","","0.09","0.0515","","","0.0909","0.1035","","","","","","1","","","","has coordinates","243490","2020-10-21","18:00:00",""
"1556129","11.479","0.002","16.064","0.002","12.35","0.002","90","","101.98","0.01","90","","2227.7","0.6","120","1","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C90 H138 N6 O18 -","6","3","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0477","0.0294","","","0.0631","0.0672","","","","","","0.903","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556130","9.917","0.001","10.626","0.002","11.336","0.001","90","","90","","90","","1194.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0329","0.0282","","","0.0799","0.082","","","","","","1.115","","","","has coordinates","243491","2020-10-21","18:00:00",""
"1556131","8.431","0.001","11.03","0.002","13.069","0.003","90","","90","","90","","1215.3","0.4","120","1","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0367","0.0276","","","0.0702","0.0721","","","","","","1.092","","","","has coordinates","243491","2020-10-21","18:00:00",""
"1556132","8.2","0.001","10.542","0.002","14.773","0.003","90","","90","","90","","1277","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","1","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0367","0.031","","","0.0815","0.0844","","","","","","0.98","","","","has coordinates","243491","2020-10-21","18:00:00",""
"1556133","8.2943","0.001","8.331","0.009","13.551","0.014","101.869","0.01","94.696","0.005","114.24","0.02","820.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O2 -","- C42 H46 N2 O2 -","- C42 H46 N2 O2 -","1","0.5","","Balandier, Jean-Yves; Henry, Nicolas; Arlin, Jean-Baptiste; Sanguinet, Lionel; Lemaur, Vincent; Niebel, Claude; Chattopadhyay, Basab; Kennedy, Alan Robert; Leriche, Philippe; Blanchard, Philippe; Cornil, Jérôme; Geerts, Yves Henri","Synthesis and characterization of isomerically pure anti- and syn-anthradiindole derivatives.","Organic letters","2013","15","2","302","305","10.1021/ol303214j","","","0.71075","MoKα","","0.0899","0.0726","","","0.1622","0.1737","","","","","","1.133","","","","has coordinates","243492","2020-10-21","18:00:00",""
"1556134","15.8497","0.0009","10.3321","0.0006","24.9736","0.0014","90","","95.678","0.006","90","","4069.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.82 H49.83 Cl3.45 N2 O2.67 -","- C43.82 H49.83 Cl3.45 N2 O2.67 -","- C175.28 H199.32 Cl13.8 N8 O10.68 -","4","1","","Balandier, Jean-Yves; Henry, Nicolas; Arlin, Jean-Baptiste; Sanguinet, Lionel; Lemaur, Vincent; Niebel, Claude; Chattopadhyay, Basab; Kennedy, Alan Robert; Leriche, Philippe; Blanchard, Philippe; Cornil, Jérôme; Geerts, Yves Henri","Synthesis and characterization of isomerically pure anti- and syn-anthradiindole derivatives.","Organic letters","2013","15","2","302","305","10.1021/ol303214j","","","0.71073","MoKα","","0.1118","0.0718","","","0.1918","0.2293","","","","","","1.033","","","","has coordinates,has disorder","243492","2020-10-21","18:00:00",""
"1556135","10.834","0.003","20.925","0.005","17.732","0.004","90","","93.784","0.01","90","","4011.1","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H28 Au2 Cl4 O4 P2 -","- C45 H28 Au2 Cl4 O4 P2 -","- C180 H112 Au8 Cl16 O16 P8 -","4","1","","Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel","Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.","Organic letters","2013","15","2","330","333","10.1021/ol303260d","","","0.71073","MoKα","","0.0758","0.0493","","","0.1133","0.1433","","","","","","1.04","","","","has coordinates","243493","2020-10-21","18:00:00",""
"1556136","13.099","0.001","13.122","0.002","13.604","0.002","117.831","0.004","117.735","0.004","91.969","0.005","1733.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 O2 P S -","- C22 H13 O2 P S -","- C88 H52 O8 P4 S4 -","4","2","","Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel","Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.","Organic letters","2013","15","2","330","333","10.1021/ol303260d","","","0.71069","MoKα","","0.0432","0.0343","","","0.0899","0.1033","","","","","","1.085","","","","has coordinates","243494","2020-10-21","18:00:00",""
"1556137","7.544","0.001","17.023","0.001","26.006","0.002","90","","90","","90","","3339.7","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H13 O3 P -","- C22 H13 O3 P -","- C176 H104 O24 P8 -","8","1","","Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel","Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.","Organic letters","2013","15","2","330","333","10.1021/ol303260d","","","0.71069","MoKα","","0.0617","0.0441","","","0.1147","0.1332","","","","","","1.087","","","","has coordinates","243495","2020-10-21","18:00:00",""
"1556138","8.39","0.003","9.844","0.002","10.32","0.002","76.55","0.02","79.16","0.02","89.73","0.02","813.5","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","","Barluenga, José; Álvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Ángel L; Tomás, Miguel","A simple metal-promoted three-step access to n/5/m angular carbocyclic systems.","Organic letters","2013","15","3","488","491","10.1021/ol303269r","","","1.54184","CuKα","","0.1364","0.0761","","","0.2116","0.2523","","","","","","1.048","","","","has coordinates","243496","2020-10-21","18:00:00",""
"1556139","8.7914","0.0004","9.2136","0.0004","10.4275","0.0004","95.867","0.003","107.824","0.004","103.956","0.004","766.06","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","","Barluenga, José; Álvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Ángel L; Tomás, Miguel","A simple metal-promoted three-step access to n/5/m angular carbocyclic systems.","Organic letters","2013","15","3","488","491","10.1021/ol303269r","","","0.7107","MoKα","","0.0849","0.0482","","","0.1186","0.1294","","","","","","1.045","","","","has coordinates","243496","2020-10-21","18:00:00",""
"1556140","5.7264","0.0005","7.5889","0.0007","21.5174","0.0019","91.997","0.002","94.434","0.002","90.306","0.002","931.69","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H21 Cl O4 -","- C22 H21 Cl O4 -","- C44 H42 Cl2 O8 -","2","2","","Bastida, David; Liu, Yankai; Tian, Xu; Escudero-Adán, Eduardo; Melchiorre, Paolo","Asymmetric vinylogous aldol reaction via H-bond-directing dienamine catalysis.","Organic letters","2013","15","1","220","223","10.1021/ol303312p","","","0.71073","MoKα","","0.0543","0.0536","","","0.1439","0.145","","","","","","1.036","","","","has coordinates","243497","2020-10-21","18:00:00",""
"1556141","8.3789","0.0003","11.6032","0.0005","23.8284","0.0011","90","","90","","90","","2316.65","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Cl O4 -","- C30 H25 Cl O4 -","- C120 H100 Cl4 O16 -","4","1","","Bastida, David; Liu, Yankai; Tian, Xu; Escudero-Adán, Eduardo; Melchiorre, Paolo","Asymmetric vinylogous aldol reaction via H-bond-directing dienamine catalysis.","Organic letters","2013","15","1","220","223","10.1021/ol303312p","","","0.71073","MoKα","","0.0451","0.0386","","","0.0953","0.0994","","","","","","1.035","","","","has coordinates","243498","2020-10-21","18:00:00",""
"1556142","5.1292","0.0003","8.5021","0.0006","28.173","0.002","90","","90","","90","","1228.6","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Schüttler, Christian; Li-Böhmer, Zhen; Harms, Klaus; von Zezschwitz, Paultheo","Enantioselective synthesis of 3,4-disubstituted cis- and trans-1,2,5-thiadiazolidine-1,1-dioxides as precursors for chiral 1,2-diamines.","Organic letters","2013","15","4","800","803","10.1021/ol3034753","","","0.71073","MoKα","","0.0272","0.0228","","","0.0499","0.0505","","","","","","0.964","","","","has coordinates","243499","2020-10-21","18:00:00",""
"1556143","9.3373","0.0003","15.5995","0.0004","15.8053","0.0005","84.143","0.001","86.017","0.001","84.742","0.001","2276.3","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H37 Cl3 I2 N2 O9 S4 -","- C41 H37 Cl3 I2 N2 O9 S4 -","- C82 H74 Cl6 I4 N4 O18 S8 -","2","1","","Röben, Caren; Souto, José A; Escudero-Adán, Eduardo C; Muñiz, Kilian","Oxidative diamination promoted by dinuclear iodine(III) reagents.","Organic letters","2013","15","5","1008","1011","10.1021/ol3034884","","","0.71073","MoKα","","0.0567","0.0371","","","0.0753","0.082","","","","","","1.102","","","","has coordinates,has disorder","243500","2020-10-21","18:00:00",""
"1556144","7.5446","0.0002","14.193","0.0004","17.9736","0.0006","90","","90","","90","","1924.62","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 F5 N O2 -","- C21 H20 F5 N O2 -","- C84 H80 F20 N4 O8 -","4","1","","Fustero, Santos; Ibáñez, Ignacio; Barrio, Pablo; Maestro, Miguel A.; Catalán, Silvia","Gold-catalyzed intramolecular hydroamination of o-alkynylbenzyl carbamates: a route to chiral fluorinated isoindoline and isoquinoline derivatives.","Organic letters","2013","15","4","832","835","10.1021/ol3035142","","","0.71073","MoKα","","0.0345","0.0291","","","0.0699","0.0806","","","","","","1.075","","","","has coordinates","243501","2020-10-21","18:00:00",""
"1556145","12.6747","0.0005","15.3867","0.0006","23.8253","0.001","90","","90","","90","","4646.5","0.3","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H43 Cl I N O2 -","- C50.5 H43 Cl I N O2 -","- C202 H172 Cl4 I4 N4 O8 -","4","1","","Liu, Yan; Shirakawa, Seiji; Maruoka, Keiji","Phase-transfer-catalyzed asymmetric conjugate cyanation of alkylidenemalonates with KCN in the presence of a Brønsted acid additive.","Organic letters","2013","15","6","1230","1233","10.1021/ol400143m","","","1.54187","CuKα","","","0.1041","","","","0.3708","","","","","","1.051","","","","has coordinates","243502","2020-10-21","18:00:00",""
"1556146","14.754","0.003","22.06","0.004","5.146","0.001","90","","90","","90","","1674.9","0.6","213","2","213","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C17 H26 N4 O3 -","- C17 H26 N4 O3 -","- C68 H104 N16 O12 -","4","0.5","","Rigol, Stephan; Beyer, Lothar; Hennig, Lothar; Sieler, Joachim; Giannis, Athanassios","Hünlich base: (re)discovery, synthesis, and structure elucidation after a century.","Organic letters","2013","15","6","1418","1420","10.1021/ol400357t","","","0.71073","MoKα","","0.0829","0.0483","","","0.0981","0.1061","","","","","","0.831","","","","has coordinates","243503","2020-10-21","18:00:00",""
"1556147","8.9007","0.0002","14.791","0.0004","17.7255","0.0005","90","","90","","90","","2333.57","0.11","115","","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 B Fe O P -","- C29 H28 B Fe O P -","- C116 H112 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0416","0.0376","","","0.0771","0.0806","","","","","","1.095","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556148","9.01","0.0003","14.7132","0.0005","17.6287","0.0006","90","","90","","90","","2336.97","0.14","115","2","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 B Fe O P -","- C29 H28 B Fe O P -","- C116 H112 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0354","0.0334","","","0.0694","0.071","","","","","","1.101","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556149","8.9778","0.0003","9.0335","0.0003","29.5925","0.0011","90","","90","","90","","2399.98","0.14","115","2","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 B Fe O P -","- C27 H32 B Fe O P -","- C108 H128 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0523","0.0464","","","0.0935","0.0987","","","","","","1.114","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556150","9.1406","0.0003","9.7796","0.0003","27.2445","0.0007","90","","90","","90","","2435.42","0.13","115","2","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 B Fe O P -","- C27 H32 B Fe O P -","- C108 H128 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0601","0.0501","","","0.0934","0.1004","","","","","","1.176","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556151","11.237","0.002","14.637","0.003","7.2453","0.0014","90","","99.56","0.03","90","","1175.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Liu, Le; Lu, Hang; Wang, Hong; Yang, Chao; Zhang, Xiang; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhI(OCOCF3)2-mediated C-C bond formation concomitant with a 1,2-aryl shift in a metal-free synthesis of 3-arylquinolin-2-ones.","Organic letters","2013","15","12","2906","2909","10.1021/ol400743r","","","0.71073","MoKα","","0.0881","0.0554","","","0.1275","0.1482","","","","","","1.011","","","","has coordinates","243505","2020-10-21","18:00:00",""
"1556152","8.695","0.004","9.355","0.005","13.874","0.007","104.83","0.008","90.259","0.006","90.583","0.006","1090.9","0.9","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H48 F8 N4 -","- C56 H48 F8 N4 -","- C56 H48 F8 N4 -","1","0.5","","Takase, Masayoshi; Inabe, Ayumi; Sugawara, Yuki; Fujita, Wataru; Nishinaga, Tohru; Nomura, Kotohiro","Donor-acceptor segregated paracyclophanes composed of naphthobipyrrole and stacked fluoroarenes.","Organic letters","2013","15","13","3202","3205","10.1021/ol400882q","","","0.71075","MoKα","","","0.0552","","","","0.1334","","","","","","0.976","","","","has coordinates","243506","2020-10-21","18:00:00",""
"1556153","20.8969","0.0019","25.977","0.002","14.1722","0.0013","90","","129.736","0.002","90","","5916.1","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4a","","","- C40 H20 F8 N4 -","- C40 H20 F8 N4 -","- C320 H160 F64 N32 -","8","1","","Takase, Masayoshi; Inabe, Ayumi; Sugawara, Yuki; Fujita, Wataru; Nishinaga, Tohru; Nomura, Kotohiro","Donor-acceptor segregated paracyclophanes composed of naphthobipyrrole and stacked fluoroarenes.","Organic letters","2013","15","13","3202","3205","10.1021/ol400882q","","","0.71073","MoKα","","0.1645","0.063","","","0.1144","0.1551","","","","","","0.945","","","","has coordinates","243507","2020-10-21","18:00:00",""
"1556154","5.5563","0.0005","23.1971","0.0019","10.5069","0.0008","90","","96.804","0.009","90","","1344.7","0.19","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","1","","Yang, Yuzhu; Yao, Jinzhong; Zhang, Yuhong","Synthesis of polysubstituted furans via copper-mediated annulation of alkyl ketones with α,β-unsaturated carboxylic acids.","Organic letters","2013","15","13","3206","3209","10.1021/ol400912v","","","0.71073","MoKα","","0.0632","0.0431","","","0.097","0.1098","","","","","","1.026","","","","has coordinates","243508","2020-10-21","18:00:00",""
"1556155","15.6316","0.0011","14.9322","0.0011","15.632","","90","","90","","90","","3648.7","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cl N O Rh -","- C20 H21 Cl N O Rh -","- C160 H168 Cl8 N8 O8 Rh8 -","8","1","","Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Li, Yuanchao","Rhodium(III)-catalyzed intermolecular direct amidation of aldehyde C-H bonds with N-chloroamines at room temperature.","Organic letters","2013","15","12","2934","2937","10.1021/ol400921r","","","0.71073","MoKα","","0.089","0.042","","","0.0775","0.0904","","","","","","1.005","","","","has coordinates","243509","2020-10-21","18:00:00",""
"1556156","7.9401","0.0004","11.866","0.0005","12.2428","0.0005","89.151","0.003","82.917","0.003","83.972","0.003","1138.35","0.09","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 F6 I O6 S2 -","- C16 H19 F6 I O6 S2 -","- C32 H38 F12 I2 O12 S4 -","2","1","","Saito, Akio; Taniguchi, Akihiro; Kambara, Yui; Hanzawa, Yuji","Metal-free [2 + 2 + 1] annulation of alkynes, nitriles, and oxygen atoms: iodine(III)-mediated synthesis of highly substituted oxazoles.","Organic letters","2013","15","11","2672","2675","10.1021/ol4009816","","","1.54187","CuKα","","","0.0573","","","","0.1144","","","","","","0.999","","","","has coordinates","243510","2020-10-21","18:00:00",""
"1556157","9.5556","0.001","10.9143","0.0011","21.922","0.003","95.336","0.001","99.004","0.001","114.209","0.001","2028","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C58 H40 N4 -","- C58 H40 N4 -","- C116 H80 N8 -","2","1","","Mutoh, Katsuya; Shima, Kentaro; Yamaguchi, Tetsuo; Kobayashi, Masayuki; Abe, Jiro","Photochromism of a naphthalene-bridged imidazole dimer constrained to the ""anti"" conformation.","Organic letters","2013","15","12","2938","2941","10.1021/ol401012u","","","0.71073","MoKα","","0.0563","0.045","","","0.1117","0.1188","","","","","","1.022","","","","has coordinates","243511","2020-10-21","18:00:00",""
"1556158","10.0241","0.0004","10.2749","0.0004","16.6432","0.0006","90","","90","","90","","1714.19","0.11","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Mycrophyllandiolide","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Toscano, Rubén Alfredo; Ortega, Alfredo","Microphyllandiolide, a new diterpene with an unprecedented skeleton from Salvia microphylla.","Organic letters","2013","15","13","3210","3213","10.1021/ol401022c","","","1.54184","CuKα","","0.0309","0.0308","","","0.0922","0.0923","","","","","","1.1","","","","has coordinates,has disorder","243512","2020-10-21","18:00:00",""
"1556159","7.1383","0.0001","10.6018","0.0001","12.0383","0.0001","90","","102.375","0.0006","90","","889.876","0.017","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F N3 O -","- C21 H20 F N3 O -","- C42 H40 F2 N6 O2 -","2","1","","Aillaud, Isabelle; Barber, David M.; Thompson, Amber L.; Dixon, Darren J.","Enantioselective Michael addition/iminium ion cyclization cascades of tryptamine-derived ureas.","Organic letters","2013","15","12","2946","2949","10.1021/ol401039h","","","1.5418","CuKα","","0.0259","0.0258","","0.0665","0.0664","0.0665","","","","","","0.9678","","","","has coordinates","243513","2020-10-21","18:00:00",""
"1556160","9.2544","0.0006","10.1036","0.0007","14.037","0.001","89.263","0.001","76.663","0.001","84.842","0.001","1271.89","0.15","90","2","90","2","","","","","","","","7","P -1","-P 1","2","oxindole with methylene chloride solvate","","","- C23 H35 Cl2 F N2 O3 Si -","- C23 H35 Cl2 F N2 O3 Si -","- C46 H70 Cl4 F2 N4 O6 Si2 -","2","1","","Shupe, Benjamin H.; Allen, Emily E.; MacDonald, Jacob P.; Wilson, Sean O.; Franz, Annaliese K.","Synthesis of spirocarbamate oxindoles via intramolecular trapping of a β-silyl carbocation by an N-Boc group.","Organic letters","2013","15","13","3218","3221","10.1021/ol4010867","","","0.71073","MoKα","","0.0479","0.0431","","","0.1066","0.1105","","","","","","1.038","","","","has coordinates,has disorder","243514","2020-10-21","18:00:00",""
"1556161","9.5934","0.0017","34.977","0.006","6.9856","0.0013","90","","111.154","0.009","90","","2186.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl O4 -","- C12 H9 Cl O4 -","- C96 H72 Cl8 O32 -","8","2","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions.","Organic letters","2013","15","12","2958","2961","10.1021/ol401087a","","","0.71073","MoKα","","0.0966","0.0689","","","0.1481","0.1589","","","","","","1.103","","","","has coordinates","243515","2020-10-21","18:00:00",""
"1556162","19.1393","0.0003","19.1393","0.0003","10.2697","0.0002","90","","90","","120","","3257.92","0.1","200","2","200","2","","","","","","","","3","P 65","P 65","170","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C144 H132 O36 -","6","1","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions.","Organic letters","2013","15","12","2958","2961","10.1021/ol401087a","","","1.54178","CuKα","","0.0381","0.0336","","","0.0789","0.0813","","","","","","1.064","","","","has coordinates","243516","2020-10-21","18:00:00",""
"1556163","8.0607","0.0005","12.2714","0.0007","11.6095","0.0006","90","","91.224","0.003","90","","1148.1","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions.","Organic letters","2013","15","12","2958","2961","10.1021/ol401087a","","","1.54178","CuKα","","0.0464","0.039","","","0.1073","0.1149","","","","","","1.072","","","","has coordinates","243517","2020-10-21","18:00:00",""
"1556164","9.8245","0.0006","10.2504","0.0006","17.1303","0.0011","98.958","0.001","106.078","0.001","97.745","0.001","1608.4","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H40 Si3 -","- C36 H40 Si3 -","- C72 H80 Si6 -","2","1","","Kinoshita, Hidenori; Takahashi, Hirotoshi; Miura, Katsukiyo","Regioselective synthesis of multisubstituted benzenes by palladium-catalyzed intermolecular reaction of β-iodo-β-silylstyrenes with alkynes.","Organic letters","2013","15","12","2962","2965","10.1021/ol4010883","","","0.71073","MoKα","","0.0362","0.0343","","","0.1421","0.1497","","","","","","1.357","","","","has coordinates","243518","2020-10-21","18:00:00",""
"1556165","10.6578","0.0007","14.5155","0.001","39.626","0.003","90","","91.372","0.001","90","","6128.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Si -","- C37 H30 Si -","- C296 H240 Si8 -","8","2","","Kinoshita, Hidenori; Takahashi, Hirotoshi; Miura, Katsukiyo","Regioselective synthesis of multisubstituted benzenes by palladium-catalyzed intermolecular reaction of β-iodo-β-silylstyrenes with alkynes.","Organic letters","2013","15","12","2962","2965","10.1021/ol4010883","","","0.71073","MoKα","","0.0718","0.0545","","","0.1013","0.1039","","","","","","1.492","","","","has coordinates,has disorder","243519","2020-10-21","18:00:00",""
"1556166","13.2419","0.0016","8.6081","0.001","15.4864","0.0019","90","","109.76","0.001","90","","1661.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 N2 O Si -","- C17 H24 N2 O Si -","- C68 H96 N8 O4 Si4 -","4","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","0.71073","MoKα","","0.0482","0.035","","","0.113","0.1249","","","","","","0.947","","","","has coordinates","243520","2020-10-21","18:00:00",""
"1556167","6.6646","0.0004","8.5137","0.0004","30.7646","0.0015","90","","90","","90","","1745.6","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O3 Si -","- C16 H28 N2 O3 Si -","- C64 H112 N8 O12 Si4 -","4","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","1.54178","CuKα","","0.0455","0.0443","","","0.109","0.1096","","","","","","1.118","","","","has coordinates","243521","2020-10-21","18:00:00",""
"1556168","8.4425","0.0008","13.9418","0.0013","17.4523","0.0016","90","","91.014","0.002","90","","2053.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N2 O Si -","- C21 H30 N2 O Si -","- C84 H120 N8 O4 Si4 -","4","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","0.71073","MoKα","","0.081","0.0549","","","0.1238","0.1353","","","","","","1.003","","","","has coordinates","243522","2020-10-21","18:00:00",""
"1556169","6.1243","0.0013","7.9668","0.0017","12.884","0.003","90","","98.931","0.003","90","","621","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H20 N2 O Si -","- C12 H20 N2 O Si -","- C24 H40 N4 O2 Si2 -","2","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","0.71073","MoKα","","0.0444","0.0344","","","0.0969","0.1059","","","","","","0.803","","","","has coordinates","243523","2020-10-21","18:00:00",""
"1556170","7.49","0.0009","14.7964","0.0011","11.472","0.0012","90","","107.785","0.011","90","","1210.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C64 H40 N8 O8 -","4","1","","Wang, Chen; Zhang, Lianpeng; Ren, Anni; Lu, Ping; Wang, Yanguang","Cu-catalyzed synthesis of tryptanthrin derivatives from substituted indoles.","Organic letters","2013","15","12","2982","2985","10.1021/ol401144m","","","0.71073","MoKα","","0.0692","0.044","","","0.0963","0.1101","","","","","","1.043","","","","has coordinates","243524","2020-10-21","18:00:00",""
"1556171","8.856","0.0005","11.3252","0.0006","12.3448","0.0007","109.775","0.001","92.023","0.001","112.173","0.001","1059.92","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 O3 S -","- C27 H24 O3 S -","- C54 H48 O6 S2 -","2","1","","Chang, Meng-Yang; Wu, Ming-Hao; Chen, Yeh-Long","One-pot synthesis of substituted tetrahydrocyclobuta[a]naphthalenes by domino aldol condensation/olefin migration/electrocyclization.","Organic letters","2013","15","11","2822","2825","10.1021/ol401152w","","","0.71073","MoKα","","0.0431","0.0347","","","0.0861","0.0902","","","","","","1.053","","","","has coordinates","243525","2020-10-21","18:00:00",""
"1556172","6.1008","0.0002","7.6894","0.0002","17.0974","0.0004","90","","99.543","0.001","90","","790.97","0.04","215","2","215","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Hansmann, Max M.; Hashmi, A Stephen K; Lautens, Mark","Gold meets rhodium: tandem one-pot synthesis of β-disubstituted ketones via Meyer-Schuster rearrangement and asymmetric 1,4-addition.","Organic letters","2013","15","13","3226","3229","10.1021/ol4011739","","","1.54178","CuKα","","0.0259","0.0257","","","0.0728","0.0732","","","","","","1.043","","","","has coordinates","243526","2020-10-21","18:00:00",""
"1556173","10.0001","0.0003","10.0316","0.0004","19.1693","0.0006","90","","90","","90","","1923.01","0.11","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br O -","- C23 H21 Br O -","- C92 H84 Br4 O4 -","4","1","","Hansmann, Max M.; Hashmi, A Stephen K; Lautens, Mark","Gold meets rhodium: tandem one-pot synthesis of β-disubstituted ketones via Meyer-Schuster rearrangement and asymmetric 1,4-addition.","Organic letters","2013","15","13","3226","3229","10.1021/ol4011739","","","1.54178","CuKα","","0.0709","0.0519","","","0.1287","0.1396","","","","","","1.061","","","","has coordinates","243527","2020-10-21","18:00:00",""
"1556174","9.4044","0.0015","19.072","0.002","18.984","0.002","90","","101.853","0.003","90","","3332.4","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C168 H168 N8 O16 -","8","2","","Chen, Te-Yu; Krische, Michael J.","Regioselective ruthenium catalyzed hydrohydroxyalkylation of dienes with 3-hydroxy-2-oxindoles: prenylation, geranylation, and beyond.","Organic letters","2013","15","12","2994","2997","10.1021/ol401184k","","","0.71075","MoKα","","0.1653","0.0844","","","0.1457","0.174","","","","","","1.075","","","","has coordinates","243528","2020-10-21","18:00:00",""
"1556175","12.587","0.003","8.748","0.002","14.954","0.003","90","","90.12","","90","","1646.6","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MOKα","","0.0866","0.0674","","","0.1718","0.1809","","","","","","0.957","","","","has coordinates","243529","2020-10-21","18:00:00",""
"1556176","18.0952","0.0009","10.2372","0.0005","21.8977","0.001","90","","94.54","0.003","90","","4043.7","0.3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N3 O3 -","- C25 H19 N3 O3 -","- C200 H152 N24 O24 -","8","1","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MoKα","","0.099","0.0488","","","0.1011","0.1225","","","","","","1.021","","","","has coordinates","243530","2020-10-21","18:00:00",""
"1556177","11.075","0.003","10.665","0.003","16.846","0.005","90","","100.97","0.004","90","","1953.4","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","1","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MoKα","","0.0955","0.0475","","","0.1058","0.1239","","","","","","0.846","","","","has coordinates","243531","2020-10-21","18:00:00",""
"1556178","8.957","0.002","12.165","0.004","17.911","0.005","90.195","0.016","104.25","0.02","90.15","0.017","1891.5","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O S -","- C23 H21 N O S -","- C92 H84 N4 O4 S4 -","4","2","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MoKα","","0.1397","0.0847","","","0.2016","0.2418","","","","","","0.967","","","","has coordinates","243532","2020-10-21","18:00:00",""
"1556179","13.639","0.003","10.357","0.002","12.061","0.002","90","","106.519","0.002","90","","1633.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MoKα","","0.0675","0.0427","","","0.109","0.1204","","","","","","0.996","","","","has coordinates","243533","2020-10-21","18:00:00",""
"1556180","9.0832","0.0004","10.4022","0.0004","11.9282","0.0004","69","0.003","81.227","0.003","83.991","0.003","1038.34","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C48 H38 N6 O6 -","2","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Madhavachary, R.","Asymmetric synthesis of druglike six-membered spirooxindoles through an amino enyne catalysis.","Organic letters","2013","15","12","3042","3045","10.1021/ol401227q","","","1.54184","CuKα","","0.0478","0.043","","","0.122","0.1263","","","","","","1.052","","","","has coordinates","243534","2020-10-21","18:00:00",""
"1556181","6.7978","0.0002","13.7806","0.0004","19.1936","0.0007","90","","90","","90","","1798.01","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H12 Cl N3 O2 -","- C21 H12 Cl N3 O2 -","- C84 H48 Cl4 N12 O8 -","4","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Madhavachary, R.","Asymmetric synthesis of druglike six-membered spirooxindoles through an amino enyne catalysis.","Organic letters","2013","15","12","3042","3045","10.1021/ol401227q","","","1.54184","CuKα","","0.0453","0.0392","","","0.1152","0.124","","","","","","0.875","","","","has coordinates","243535","2020-10-21","18:00:00",""
"1556182","14.431","0.004","8.092","0.002","36.817","0.01","90","","91.972","0.004","90","","4297","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C224 H176 O32 -","8","2","","Li, Erqing; Huang, You; Liang, Ling; Xie, Peizhong","Phosphine-catalyzed [4 + 2] annulation of γ-substituent allenoates: facile access to functionalized spirocyclic skeletons.","Organic letters","2013","15","12","3138","3141","10.1021/ol401249e","","","0.71073","MoKα","","0.0859","0.0764","","","0.1769","0.1838","","","","","","1.087","","","","has coordinates","243536","2020-10-21","18:00:00",""
"1556183","9.653","0.0005","9.653","0.0005","40.391","0.002","90","","90","","90","","3763.6","0.3","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C160 H256 O40 -","8","1","","Zhang, Mengke; Zhu, Yan; Zhan, Guanqun; Shu, Penghua; Sa, Rongjian; Lei, Liang; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Wan, Qian; Yao, Guangmin; Zhang, Yonghui","Micranthanone A, a new diterpene with an unprecedented carbon skeleton from Rhododendron micranthum.","Organic letters","2013","15","12","3094","3097","10.1021/ol401292y","","","1.54178","CuKα","","0.0695","0.06","","","0.1553","0.2052","","","","","","1.193","","","","has coordinates","243537","2020-10-21","18:00:00",""
"1556184","9.2161","0.0003","14.354","0.0004","21.9606","0.0006","90","","90","","90","","2905.12","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 O9 -","- C31 H44 O9 -","- C124 H176 O36 -","4","1","","Zhang, Mengke; Zhu, Yan; Zhan, Guanqun; Shu, Penghua; Sa, Rongjian; Lei, Liang; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Wan, Qian; Yao, Guangmin; Zhang, Yonghui","Micranthanone A, a new diterpene with an unprecedented carbon skeleton from Rhododendron micranthum.","Organic letters","2013","15","12","3094","3097","10.1021/ol401292y","","","1.54178","CuKα","","0.0343","0.0338","","","0.0923","0.0928","","","","","","1.047","","","","has coordinates,has disorder","243538","2020-10-21","18:00:00",""
"1556185","6.1044","0.0002","9.3857","0.0003","14.7205","0.0005","78.9278","0.0017","79.0335","0.0019","82.9068","0.0019","809.27","0.05","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H17 Br O4 -","- C17 H17 Br O4 -","- C34 H34 Br2 O8 -","2","1","","Woodall, Erica L.; Simanis, Justin A.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Unique reactivity of anti- and syn-acetoxypyranones en route to oxidopyrylium intermediates leading to a cascade process.","Organic letters","2013","15","13","3270","3273","10.1021/ol4012986","","x-ray","0.71073","MoKα","","0.035","0.0315","","","0.0767","0.0781","","","","","","1.094","","","","has coordinates","243539","2020-10-21","18:00:00",""
"1556186","9.439","0.007","13.768","0.01","26.584","0.019","90","","90","","90","","3455","4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Cl N5 O2 -","- C37 H40 Cl N5 O2 -","- C148 H160 Cl4 N20 O8 -","4","1","","Zou, Liwei; Wang, Baomin; Mu, Hongfang; Zhang, Huanrui; Song, Yuming; Qu, Jingping","Development of tartaric acid derived chiral guanidines and their application to catalytic enantioselective α-hydroxylation of β-dicarbonyl compounds.","Organic letters","2013","15","12","3106","3109","10.1021/ol401306h","","","0.71073","MoKα","","0.1131","0.0601","","","0.1389","0.1577","","","","","","1","","","","has coordinates","243540","2020-10-21","18:00:00",""
"1556187","9.5437","0.0016","15.151","0.003","10.6193","0.0019","90","","111.641","0.008","90","","1427.3","0.5","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 F N O4 S2 -","- C34 H26 F N O4 S2 -","- C68 H52 F2 N2 O8 S4 -","2","1","","Matsuzaki, Kohei; Furukawa, Tatsuya; Tokunaga, Etsuko; Matsumoto, Takashi; Shiro, Motoo; Shibata, Norio","Highly enantioselective monofluoromethylation of C2-arylindoles using FBSM under chiral phase-transfer catalysis.","Organic letters","2013","15","13","3282","3285","10.1021/ol4013102","","","1.54187","CuKα","","","0.0803","","","","0.207","","","","","","1.029","","","","has coordinates","243541","2020-10-21","18:00:00",""
"1556188","6.872","0.003","22.864","0.007","25.039","0.009","70.46","0.02","85.66","0.03","76.63","0.03","3607","2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.6 H39.25 Cl0.35 F5 N1.5 O4 -","- C40.6 H39.25 Cl0.35 F5 N1.5 O4 -","- C162.4 H157 Cl1.4 F20 N6 O16 -","4","2","","Ito, Satoru; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of pyridine-fused perylene imides with an amidine moiety for hydrogen bonding.","Organic letters","2013","15","12","3110","3113","10.1021/ol401316q","","","0.71075","MoKα","","0.3475","0.1691","","","0.3912","0.4973","","","","","","1.055","","","","has coordinates","243542","2020-10-21","18:00:00",""
"1556189","6.2434","0.0005","8.0127","0.0007","21.1301","0.0018","90","","90.262","0.002","90","","1057.05","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Ni, Shengjun; Chen, Jie; Ma, Shengming","Unexpected regioselectivity switch: organophosphine-triggered reactions of cyclopropene-1,1-dicarboxylates with aldehydes.","Organic letters","2013","15","13","3290","3293","10.1021/ol401324z","","","0.71073","MoKα","","0.0593","0.0472","","","0.1223","0.131","","","","","","1.029","","","","has coordinates","243543","2020-10-21","18:00:00",""
"1556190","10.0966","0.0009","10.7209","0.0009","13.1753","0.0011","94.573","0.002","94.171","0.002","109.28","0.002","1334.4","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 B O2 Si -","- C28 H33 B O2 Si -","- C56 H66 B2 O4 Si2 -","2","1","","Jiao, Jiao; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of multisubstituted olefins through regio- and stereoselective silylborylation of an alkynylboronate/chemoselective cross-coupling sequences.","Organic letters","2013","15","13","3294","3297","10.1021/ol401333j","","","0.71075","MoKα","","0.1186","0.0714","","","0.1774","0.2063","","","","","","1.026","","","","has coordinates","243544","2020-10-21","18:00:00",""
"1556191","9.6731","0.0011","12.2468","0.0014","13.2905","0.0014","106.215","0.002","91.906","0.002","104.067","0.002","1457.8","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 B2 O4 Si -","- C28 H40 B2 O4 Si -","- C56 H80 B4 O8 Si2 -","2","1","","Jiao, Jiao; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of multisubstituted olefins through regio- and stereoselective silylborylation of an alkynylboronate/chemoselective cross-coupling sequences.","Organic letters","2013","15","13","3294","3297","10.1021/ol401333j","","","0.71075","MoKα","","0.2351","0.1058","","","0.1969","0.2558","","","","","","1.06","","","","has coordinates","243545","2020-10-21","18:00:00",""
"1556192","10.299","0.004","12.07","0.006","19.582","0.006","89.885","0.015","86.412","0.013","78.391","0.017","2379.6","1.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F3 N O -","- C29 H20 F3 N O -","- C116 H80 F12 N4 O4 -","4","2","","Jiao, Jiao; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of multisubstituted olefins through regio- and stereoselective silylborylation of an alkynylboronate/chemoselective cross-coupling sequences.","Organic letters","2013","15","13","3294","3297","10.1021/ol401333j","","","0.71075","MoKα","","0.1988","0.0759","","","0.1889","0.246","","","","","","0.938","","","","has coordinates","243546","2020-10-21","18:00:00",""
"1556193","9.8739","0.0005","19.0209","0.0009","13.9849","0.0007","90","","94.282","0.001","90","","2619.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","13024a","","","- C30 H26 Br2 O5 -","- C30 H26 Br2 O5 -","- C120 H104 Br8 O20 -","4","1","","Yeom, Hyun-Suk; Li, Hui; Tang, Yu; Hsung, Richard P.","Total syntheses of cannabicyclol, clusiacyclol A and B, iso-eriobrucinol A and B, and eriobrucinol.","Organic letters","2013","15","12","3130","3133","10.1021/ol401335u","","","0.71073","MoKα","","0.0499","0.036","","","0.0842","0.0899","","","","","","1.009","","","","has coordinates","243547","2020-10-21","18:00:00",""
"1556194","24.479","0.003","35.736","0.004","6.333","0.0008","90","","90","","90","","5540","1.2","113","2","113","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C256 H320 O48 -","16","1","","Yeom, Hyun-Suk; Li, Hui; Tang, Yu; Hsung, Richard P.","Total syntheses of cannabicyclol, clusiacyclol A and B, iso-eriobrucinol A and B, and eriobrucinol.","Organic letters","2013","15","12","3130","3133","10.1021/ol401335u","","","0.71073","MoKα","","0.0622","0.0448","","","0.1055","0.1129","","","","","","1.022","","","","has coordinates,has disorder","243548","2020-10-21","18:00:00",""
"1556195","14.393","0.002","4.9376","0.0007","17.802","0.003","90","","101.306","0.004","90","","1240.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F3 N -","- C16 H10 F3 N -","- C64 H40 F12 N4 -","4","1","","Tiwari, Virendra Kumar; Pawar, Govind Goroba; Das, Riki; Adhikary, Amit; Kapur, Manmohan","Heteroatom-guided, palladium-catalyzed regioselective C-H functionalization in the synthesis of 3-arylquinolines.","Organic letters","2013","15","13","3310","3313","10.1021/ol401349a","","","0.71073","MoKα","","0.0663","0.0579","","","0.1352","0.142","","","","","","1.073","","","","has coordinates","243549","2020-10-21","18:00:00",""
"1556196","11.3125","0.0006","9.5581","0.0005","12.1929","0.0006","90","","111.496","0.0007","90","","1226.66","0.11","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H31 B N2 O2 -","- C29 H31 B N2 O2 -","- C58 H62 B2 N4 O4 -","2","1","","Shaban Ragab, Sherif; Swaminathan, Subramani; Deniz, Erhan; Captain, Burjor; Raymo, Françisco M","Fluorescence photoactivation by ligand exchange around the boron center of a BODIPY chromophore.","Organic letters","2013","15","12","3154","3157","10.1021/ol401380n","","","0.71073","MoKα","","0.045","0.0393","","","0.1052","0.1102","","","","","","1.062","","","","has coordinates,has disorder","243550","2020-10-21","18:00:00",""
"1556197","11.1596","0.0003","9.7432","0.0003","13.8929","0.0004","90","","102.558","0.001","90","","1474.44","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","U-5 Dr Jun","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Chun, Yu Sung; Xuan, Zi; Kim, Ju Hyun; Lee, Sang-gi","An expedient and divergent tandem one-pot synthesis of pyrimidin-2,4-diones using the Blaise reaction intermediate.","Organic letters","2013","15","12","3162","3165","10.1021/ol401389j","","","0.71073","MoKα","","0.0422","0.0395","","","0.1071","0.1098","","","","","","1.061","","","","has coordinates","243551","2020-10-21","18:00:00",""
"1556198","8.1366","0.0005","12.602","0.0006","9.5079","0.0005","90","","110.672","0.003","90","","912.15","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C40 H40 O6 S2 -","2","1","","Shirakawa, Seiji; Tokuda, Takashi; Kasai, Atsuyuki; Maruoka, Keiji","Design of chiral bifunctional quaternary phosphonium bromide catalysts possessing an amide moiety.","Organic letters","2013","15","13","3350","3353","10.1021/ol4013926","","","1.54187","CuKα","","","0.0369","","","","0.1343","","","","","","0.989","","","","has coordinates","243552","2020-10-21","18:00:00",""
"1556199","9.0022","0.0005","12.1545","0.0007","13.6525","0.0008","90","","101.948","0.002","90","","1461.46","0.15","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F3 N O5 -","- C14 H14 F3 N O5 -","- C56 H56 F12 N4 O20 -","4","1","","Molander, Gary A.; Cavalcanti, Livia N.","Synthesis of trifluoromethylated isoxazolidines: 1,3-dipolar cycloaddition of nitrosoarenes, (trifluoromethyl)diazomethane, and alkenes.","Organic letters","2013","15","12","3166","3169","10.1021/ol401402d","","","0.71073","MoKα","","0.0291","0.028","","","0.0723","0.0736","","","","","","1.059","","","","has coordinates","243553","2020-10-21","18:00:00",""
"1556200","20.4457","0.0008","19.4232","0.0008","9.4746","0.0004","90","","90.583","0.002","90","","3762.4","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F3 N O2 -","- C23 H18 F3 N O2 -","- C184 H144 F24 N8 O16 -","8","2","","Molander, Gary A.; Cavalcanti, Livia N.","Synthesis of trifluoromethylated isoxazolidines: 1,3-dipolar cycloaddition of nitrosoarenes, (trifluoromethyl)diazomethane, and alkenes.","Organic letters","2013","15","12","3166","3169","10.1021/ol401402d","","","0.71073","MoKα","","0.0636","0.0447","","","0.1044","0.1137","","","","","","1.057","","","","has coordinates","243555","2020-10-21","18:00:00",""
"1556201","7.2107","0.0019","11.437","0.003","11.361","0.003","90","","98.05","0.006","90","","927.7","0.4","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","","Maity, Soham; Naveen, Togati; Sharma, Upendra; Maiti, Debabrata","Stereoselective nitration of olefins with (t)BuONO and TEMPO: direct access to nitroolefins under metal-free conditions.","Organic letters","2013","15","13","3384","3387","10.1021/ol401426p","","","0.71073","MoKα","","0.1204","0.0828","","","0.2818","0.363","","","","","","1.194","","","","has coordinates","243556","2020-10-21","18:00:00",""
"1556202","22.2024","0.001","16.1149","0.0007","27.8962","0.0014","90","","103.284","0.0016","90","","9713.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C100 H150 Cl4 P4 -","- C100 H150 Cl4 P4 -","- C400 H600 Cl16 P16 -","4","1","","Ito, Shigekazu; Kobayashi, Makoto; Mikami, Koichi","Through-space electrostatic interaction between the electron-donating 1,3-diphosphacyclobutane-2,4-diyl units.","Organic letters","2013","15","13","3404","3407","10.1021/ol401456h","","","0.71075","MoKα","","0.1773","0.0928","","","0.2308","0.2856","","","","","","1.315","","","","has coordinates,has disorder","243557","2020-10-21","18:00:00",""
"1556203","24.5119","0.0012","11.5268","0.0004","10.5087","0.0005","90","","120.735","0.007","90","","2552.1","0.3","123","0.2","123","0.2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 O5 Si -","- C25 H42 O5 Si -","- C100 H168 O20 Si4 -","4","1","","Kreuzer, Andreas; Kerres, Sabine; Ertl, Thomas; Rücker, Hannelore; Amslinger, Sabine; Reiser, Oliver","Asymmetric synthesis of both enantiomers of arteludovicinolide A.","Organic letters","2013","15","13","3420","3423","10.1021/ol401473v","","x-ray","1.54184","CuKα","","0.0532","0.0406","","","0.1023","0.1113","","","","","","1.019","","","","has coordinates","243558","2020-10-21","18:00:00",""
"1556204","8.16912","0.00008","14.1495","0.00013","20.6305","0.0002","90","","90","","90","","2384.66","0.04","123","","123","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O5 Si -","- C23 H38 O5 Si -","- C92 H152 O20 Si4 -","4","1","","Kreuzer, Andreas; Kerres, Sabine; Ertl, Thomas; Rücker, Hannelore; Amslinger, Sabine; Reiser, Oliver","Asymmetric synthesis of both enantiomers of arteludovicinolide A.","Organic letters","2013","15","13","3420","3423","10.1021/ol401473v","","x-ray","1.54184","CuKα","","0.0368","0.0355","","","0.0937","0.0957","","","","","","1.026","","","","has coordinates","243559","2020-10-21","18:00:00",""
"1556205","9.8721","0.0007","10.1397","0.0007","16.1579","0.0012","90","","90","","90","","1617.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl N2 O3 -","- C16 H21 Cl N2 O3 -","- C64 H84 Cl4 N8 O12 -","4","1","","Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros","Enantioselective hydroarylation of bridged [3.2.1] heterocycles: an efficient entry into the homoepibatidine skeleton.","Organic letters","2013","15","13","3424","3427","10.1021/ol401477r","","","0.71073","MoKα","","0.0276","0.0268","","","0.0735","0.0742","","","","","","1.093","","","","has coordinates","243560","2020-10-21","18:00:00",""
"1556206","9.9446","0.0008","10.3967","0.0009","16.1629","0.0013","90","","90","","90","","1671.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl N2 O3 -","- C16 H21 Cl N2 O3 -","- C64 H84 Cl4 N8 O12 -","4","1","","Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros","Enantioselective hydroarylation of bridged [3.2.1] heterocycles: an efficient entry into the homoepibatidine skeleton.","Organic letters","2013","15","13","3424","3427","10.1021/ol401477r","","","1.54178","CuKα","","0.0625","0.0613","","","0.1649","0.1671","","","","","","1.069","","","","has coordinates","243561","2020-10-21","18:00:00",""
"1556207","7.5683","0.0007","11.9057","0.0016","14.1137","0.0018","102.206","0.011","101.521","0.01","92.584","0.008","1212.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C52 H50 N6 O6 -","2","1","","Lee, Boram; Chen, Shiyu; Heinis, Christian; Scopelliti, Rosario; Severin, Kay","Pattern-based sensing of peptides and aminoglycosides with a single molecular probe.","Organic letters","2013","15","13","3456","3459","10.1021/ol401495c","","","0.71073","MoKα","","0.108","0.0679","","","0.167","0.1883","","","","","","1.042","","","","has coordinates","243562","2020-10-21","18:00:00",""
"1556208","10.1792","0.0009","11.8174","0.0009","13.9668","0.0011","90.426","0.006","90.494","0.007","102.848","0.007","1637.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H41 N5 O3 -","- C38 H41 N5 O3 -","- C76 H82 N10 O6 -","2","1","","Lee, Boram; Chen, Shiyu; Heinis, Christian; Scopelliti, Rosario; Severin, Kay","Pattern-based sensing of peptides and aminoglycosides with a single molecular probe.","Organic letters","2013","15","13","3456","3459","10.1021/ol401495c","","","1.54178","CuKα","","0.0995","0.0834","","","0.2152","0.2449","","","","","","1.044","","","","has coordinates,has disorder","243563","2020-10-21","18:00:00",""
"1556209","35.073","0.004","8.211","0.0009","14.159","0.0014","90","","106.809","0.003","90","","3903.4","0.7","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C216 H176 N16 -","8","1","","Zhu, Xu; Wang, Yi-Feng; Ren, Wei; Zhang, Feng-Lian; Chiba, Shunsuke","TEMPO-mediated aliphatic C-H oxidation with oximes and hydrazones.","Organic letters","2013","15","13","3214","3217","10.1021/ol4014969","","","0.71073","MoKα","","0.0776","0.0485","","","0.1284","0.1537","","","","","","1.044","","","","has coordinates","243564","2020-10-21","18:00:00",""
"1556210","10.7757","0.0006","11.1883","0.0007","19.7287","0.0012","80.672","0.003","74.688","0.003","68.604","0.002","2130.3","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","2","","Zhu, Xu; Wang, Yi-Feng; Ren, Wei; Zhang, Feng-Lian; Chiba, Shunsuke","TEMPO-mediated aliphatic C-H oxidation with oximes and hydrazones.","Organic letters","2013","15","13","3214","3217","10.1021/ol4014969","","","0.71073","MoKα","","0.0818","0.0519","","","0.1266","0.1547","","","","","","1.063","","","","has coordinates","243565","2020-10-21","18:00:00",""
"1556211","10.107","0.0006","6.8488","0.0005","16.9251","0.0012","90","","90.667","0.006","90","","1171.49","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 S -","- C24 H24 N2 O5 S -","- C48 H48 N4 O10 S2 -","2","1","","Meninno, Sara; Croce, Gianluca; Lattanzi, Alessandra","Asymmetric synthesis of trisubstituted tetrahydrothiophenes bearing a quaternary stereocenter via double Michael reaction involving dynamic kinetic resolution.","Organic letters","2013","15","13","3436","3439","10.1021/ol4014975","","","0.71073","MoKα","","0.1119","0.0514","","","0.0865","0.1025","","","","","","0.975","","","","has coordinates","243566","2020-10-21","18:00:00",""
"1556212","11.835","0.005","11.975","0.005","12.118","0.005","61.205","0.005","84.631","0.005","63.739","0.005","1334","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 N O3 S -","- C28 H33 N O3 S -","- C56 H66 N2 O6 S2 -","2","1","","Meninno, Sara; Croce, Gianluca; Lattanzi, Alessandra","Asymmetric synthesis of trisubstituted tetrahydrothiophenes bearing a quaternary stereocenter via double Michael reaction involving dynamic kinetic resolution.","Organic letters","2013","15","13","3436","3439","10.1021/ol4014975","","","0.71073","MoKα","","0.2377","0.1269","","","0.2229","0.2724","","","","","","1.069","","","","has coordinates,has disorder","243567","2020-10-21","18:00:00",""
"1556213","12.6783","0.0015","7.099","0.0007","23.032","0.002","90","","90","","90","","2073","0.4","200","1","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 O2 -","- C13 H8 N2 O2 -","- C104 H64 N16 O16 -","8","1","","Slowinski, Franck; Ben Ayad, Omar; Ziyaret, Ozge; Botuha, Candice; Le Falher, Laetitia; Aouane, Kamel; Thorimbert, Serge","Expeditive access to 2-substituted 4H-pyrido[1,3]oxazin-4-ones via an intramolecular O-arylation.","Organic letters","2013","15","14","3494","3497","10.1021/ol401516e","","","0.71073","MoKα","","0.1095","0.0735","","","0.1947","0.2257","","","","","","1.086","","","","has coordinates","243568","2020-10-21","18:00:00",""
"1556214","13.7372","0.0008","18.5165","0.001","7.4853","0.0004","90","","97.958","0.002","90","","1885.66","0.18","200","1","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Br N2 Na O5 -","- C17 H18 Br N2 Na O5 -","- C68 H72 Br4 N8 Na4 O20 -","4","1","","Slowinski, Franck; Ben Ayad, Omar; Ziyaret, Ozge; Botuha, Candice; Le Falher, Laetitia; Aouane, Kamel; Thorimbert, Serge","Expeditive access to 2-substituted 4H-pyrido[1,3]oxazin-4-ones via an intramolecular O-arylation.","Organic letters","2013","15","14","3494","3497","10.1021/ol401516e","","","0.71073","MoKα","","0.0689","0.034","","","0.0677","0.0779","","","","","","1.01","","","","has coordinates","243569","2020-10-21","18:00:00",""
"1556215","7.3116","0.0005","15.2786","0.0011","16.3552","0.0011","105.854","0.005","95.436","0.006","95.125","0.005","1736.9","0.2","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C84 H60 N12 O18 -","6","3","","Slowinski, Franck; Ben Ayad, Omar; Ziyaret, Ozge; Botuha, Candice; Le Falher, Laetitia; Aouane, Kamel; Thorimbert, Serge","Expeditive access to 2-substituted 4H-pyrido[1,3]oxazin-4-ones via an intramolecular O-arylation.","Organic letters","2013","15","14","3494","3497","10.1021/ol401516e","","","1.54178","CuKα","","0.1311","0.0587","","","0.133","0.1659","","","","","","0.947","","","","has coordinates","243570","2020-10-21","18:00:00",""
"1556216","8.584","0.003","11.098","0.004","12.526","0.005","71.237","0.005","74.269","0.004","80.711","0.005","1083.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C56 H46 N2 O6 -","2","1","","Yang, Min; Tang, Jie; Fan, Renhua","Dearomatization strategy of β-enamino ester: construction of indenoazepines via tandem Michael addition/polycyclization.","Organic letters","2013","15","13","3464","3467","10.1021/ol401553n","","","0.71073","MoKα","","0.0694","0.0542","","","0.1472","0.1562","","","","","","0.957","","","","has coordinates","243571","2020-10-21","18:00:00",""
"1556217","19.519","0.008","7.83","0.003","18.538","0.008","90","","114.675","0.005","90","","2574.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N O5 S -","- C30 H29 N O5 S -","- C120 H116 N4 O20 S4 -","4","1","","Yang, Min; Tang, Jie; Fan, Renhua","Dearomatization strategy of β-enamino ester: construction of indenoazepines via tandem Michael addition/polycyclization.","Organic letters","2013","15","13","3464","3467","10.1021/ol401553n","","","0.71073","MoKα","","0.1126","0.049","","","0.0593","0.0656","","","","","","1.059","","","","has coordinates","243571","2020-10-21","18:00:00",""
"1556218","7.4941","0.0003","15.8862","0.0007","16.1019","0.0006","90","","90","","90","","1916.98","0.13","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","","de Robillard, Guillaume; Devillers, Charles H.; Kunz, Doris; Cattey, Hélène; Digard, Eric; Andrieu, Jacques","Electrosynthesis of imidazolium carboxylates.","Organic letters","2013","15","17","4410","4413","10.1021/ol401949f","","","0.71073","MoKα","","0.0696","0.0467","","","0.0968","0.1089","","","","","","1.102","","","","has coordinates","243572","2020-10-21","18:00:00",""
"1556219","8.6471","0.0003","16.9091","0.0007","7.308","0.0003","90","","111.426","0.002","90","","994.69","0.07","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cl N2 O -","- C9 H13 Cl N2 O -","- C36 H52 Cl4 N8 O4 -","4","1","","de Robillard, Guillaume; Devillers, Charles H.; Kunz, Doris; Cattey, Hélène; Digard, Eric; Andrieu, Jacques","Electrosynthesis of imidazolium carboxylates.","Organic letters","2013","15","17","4410","4413","10.1021/ol401949f","","","0.71073","MoKα","","0.0404","0.0343","","","0.0774","0.0812","","","","","","1.065","","","","has coordinates","243572","2020-10-21","18:00:00",""
"1556220","6.161","0.002","19.878","0.004","23.992","0.005","90","","90","","90","","2938.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Br O5 -","- C32 H37 Br O5 -","- C128 H148 Br4 O20 -","4","1","","Ma, Shuang-Gang; Gao, Rong-Mei; Li, Yu-Huan; Jiang, Jian-Dong; Gong, Ning-Bo; Li, Li; Lü, Yang; Tang, Wen-Zhao; Liu, Yun-Bao; Qu, Jing; Lü, Hai-Ning; Li, Yong; Yu, Shi-Shan","Antiviral spirooliganones A and B with unprecedented skeletons from the roots of Illicium oligandrum.","Organic letters","2013","15","17","4450","4453","10.1021/ol401992s","","","1.54178","CuKα","","0.0607","0.0541","","","0.128","0.1381","","","","","","1.006","","","","has coordinates,has disorder","243573","2020-10-21","18:00:00",""
"1556221","5.9898","0.0008","9.7098","0.0013","12.2465","0.0018","90.307","0.012","91.544","0.012","99.152","0.011","702.9","0.17","104","","104","","","","","","","","","4","P 1","P 1","1","","","","- C32 H37 Br O5 -","- C32 H37 Br O5 -","- C32 H37 Br O5 -","1","1","","Ma, Shuang-Gang; Gao, Rong-Mei; Li, Yu-Huan; Jiang, Jian-Dong; Gong, Ning-Bo; Li, Li; Lü, Yang; Tang, Wen-Zhao; Liu, Yun-Bao; Qu, Jing; Lü, Hai-Ning; Li, Yong; Yu, Shi-Shan","Antiviral spirooliganones A and B with unprecedented skeletons from the roots of Illicium oligandrum.","Organic letters","2013","15","17","4450","4453","10.1021/ol401992s","","","1.5418","CuKα","","0.0336","0.0335","","","0.0868","0.0869","","","","","","1.036","","","","has coordinates","243574","2020-10-21","18:00:00",""
"1556222","11.1938","0.0004","12.4627","0.0003","18.0716","0.0007","73.603","0.002","80.954","0.003","72.955","0.002","2304.67","0.14","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C25 H30 B F2 N3 O2 -","- C23.858 H26.574 B F2 N3 O1.429 -","- C95.432 H106.296 B4 F8 N12 O5.716 -","4","2","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0538","0.0462","","","0.1285","0.1345","","","","","","1.088","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556223","8.2072","0.0015","10.1894","0.0018","11.851","0.002","81.335","0.015","74.018","0.016","72.15","0.016","904.5","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H20 B F2 N3 O -","- C21 H20 B F2 N3 O -","- C42 H40 B2 F4 N6 O2 -","2","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0704","0.0459","","","0.1111","0.1237","","","","","","1.042","","","","has coordinates","243576","2020-10-21","18:00:00",""
"1556224","26.6729","0.001","7.6463","0.0002","22.0381","0.0007","90","","117.842","0.004","90","","3974.3","0.3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 B F2 N3 O -","- C23 H24 B F2 N3 O -","- C184 H192 B8 F16 N24 O8 -","8","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0456","0.0385","","","0.1009","0.1066","","","","","","1.032","","","","has coordinates","243577","2020-10-21","18:00:00",""
"1556225","6.3964","0.0005","10.0934","0.0009","16.1699","0.0014","84.772","0.007","84.73","0.007","72.022","0.007","986.61","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C25 H26 B F2 N -","- C23 H26 B F2 N3 -","- C46 H52 B2 F4 N6 -","2","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.093","0.0668","","","0.1747","0.1871","","","","","","1.111","","","","has coordinates","243578","2020-10-21","18:00:00",""
"1556226","7.4834","0.0004","10.5795","0.0004","11.2482","0.0005","91.434","0.003","98.156","0.004","105.154","0.004","849.07","0.07","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C20 H19 B F2 N2 O -","- C20 H19 B F2 N2 O -","- C40 H38 B2 F4 N4 O2 -","2","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0374","0.0326","","","0.0822","0.0861","","","","","","1.027","","","","has coordinates","243579","2020-10-21","18:00:00",""
"1556227","11.2478","0.0001","18.8922","0.0002","9.1309","0.0001","90","","100.168","0.001","90","","1909.8","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B F2 N2 O -","- C22 H23 B F2 N2 O -","- C88 H92 B4 F8 N8 O4 -","4","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0369","0.0321","","","0.0802","0.083","","","","","","1.031","","","","has coordinates","243580","2020-10-21","18:00:00",""
"1556228","8.2523","0.0005","9.66","0.0006","15.0901","0.0009","79.648","0.004","84.413","0.004","82.507","0.004","1169.88","0.12","120","2","120","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C24 H31 N O3 S2 -","- C24 H31 N O3 S2 -","- C48 H62 N2 O6 S4 -","2","2","","Fernández de la Pradilla, Roberto; Simal, Carmen; Bates, Robert H.; Viso, Alma; Infantes, Lourdes","Sulfoxide-directed enantioselective synthesis of functionalized tetrahydropyridines.","Organic letters","2013","15","19","4936","4939","10.1021/ol402141d","","","1.54178","CuKα","","0.1326","0.121","","","0.3148","0.3321","","","","","","1.425","","","","has coordinates","243581","2020-10-21","18:00:00",""
"1556229","20.6418","0.0005","12.849","0.0003","20.8325","0.0006","90","","105.192","0.001","90","","5332.2","0.2","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O4 -","- C8 H7 Br O4 -","- C192 H168 Br24 O96 -","24","6","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0944","0.048","","","0.1012","0.1154","","","","","","1.016","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556230","3.9163","0.0002","22.1922","0.0009","10.2727","0.0007","90","","100.989","0.002","90","","876.44","0.08","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O4 -","- C8 H7 Br O4 -","- C32 H28 Br4 O16 -","4","1","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0878","0.0418","","","0.0831","0.0966","","","","","","0.984","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556231","3.9281","0.0005","9.3038","0.0009","13.2519","0.0011","76.256","0.007","81.88","0.007","79.808","0.007","460.52","0.08","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0755","0.0464","","","0.098","0.1112","","","","","","1.045","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556232","21.3553","0.0008","6.084","0.0002","6.1592","0.0002","90","","90","","90","","800.24","0.05","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","0.5","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0442","0.0341","","","0.0882","0.0948","","","","","","1.07","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556233","10.7495","0.0006","10.7472","0.0006","7.1133","0.0004","90","","103.181","0.003","90","","800.13","0.08","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0808","0.0407","","","0.0915","0.113","","","","","","0.931","","","","has coordinates,has disorder","243582","2020-10-21","18:00:00",""
"1556234","7.3953","0.0005","9.4651","0.0005","11.7217","0.0006","113.616","0.002","92.812","0.003","103.815","0.003","720.3","0.07","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","2","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0703","0.0439","","","0.1005","0.1138","","","","","","1.02","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556235","8.5127","0.0006","23.5267","0.0013","9.6294","0.0005","90","","90","","90","","1928.5","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C88 H112 O16 -","4","0.5","","Barbero, Asunción; Diez-Varga, Alberto; Pulido, Francisco J.","Multicomponent prins cyclization from allylsilyl alcohols leading to dioxaspirodecanes.","Organic letters","2013","15","20","5234","5237","10.1021/ol402425u","","","1.54184","CuKα","","0.0721","0.0562","","","0.1767","0.1965","","","","","","1.07","","","","has coordinates,has disorder","243583","2020-10-21","18:00:00",""
"1556236","5.8655","0.0002","17.9589","0.0005","19.3504","0.0005","90","","92.332","0.003","90","","2036.64","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","","Barbero, Asunción; Diez-Varga, Alberto; Pulido, Francisco J.","Multicomponent prins cyclization from allylsilyl alcohols leading to dioxaspirodecanes.","Organic letters","2013","15","20","5234","5237","10.1021/ol402425u","","","1.54184","CuKα","","0.0698","0.0504","","","0.1374","0.1567","","","","","","1.029","","","","has coordinates,has disorder","243583","2020-10-21","18:00:00",""
"1556237","8.5625","0.0006","10.345","0.0007","13.4111","0.0008","101.833","0.003","103.203","0.003","108.39","0.004","1046.94","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C54 H48 O6 -","2","1","","Portalier, François; Bourdreux, Flavien; Marrot, Jérôme; Moreau, Xavier; Coeffard, Vincent; Greck, Christine","Merging oxidative dearomatization and aminocatalysis: one-pot enantioselective synthesis of tricyclic architectures.","Organic letters","2013","15","22","5642","5645","10.1021/ol402546h","","","0.71073","MoKα","","0.1079","0.0503","","","0.123","0.1392","","","","","","1.051","","","","has coordinates","243584","2020-10-21","18:00:00",""
"1556238","35.0181","0.0011","35.0181","0.0011","8.029","0.0002","90","","90","","120","","8526.6","0.4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.17 H5.67 F5 N3 O1.17 P S2 -","- C16.17 H5.68 F5 N3 O1.17 P S2 -","- C291.06 H102.24 F90 N54 O21.06 P18 S36 -","18","1","","He, Xiaoming; Zhang, Ping; Lin, Jian-Bin; Huynh, Huy V.; Navarro Muñoz, Sandra E; Ling, Chang-Chun; Baumgartner, Thomas","Synthesis of P-triazole dithienophospholes and a cyclodextrin-based sensor via click chemistry.","Organic letters","2013","15","20","5322","5325","10.1021/ol402582p","","","0.71073","MoKα","","0.0803","0.062","","","0.1947","0.2202","","","","","","1.007","","","","has coordinates","243585","2020-10-21","18:00:00",""
"1556239","11.428","0.0004","11.743","0.0004","12.215","0.0004","103.705","0.002","104.42","0.002","93.621","0.0019","1529.34","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 N3 O P S2 -","- C16 H10 N3 O P S2 -","- C64 H40 N12 O4 P4 S8 -","4","2","","He, Xiaoming; Zhang, Ping; Lin, Jian-Bin; Huynh, Huy V.; Navarro Muñoz, Sandra E; Ling, Chang-Chun; Baumgartner, Thomas","Synthesis of P-triazole dithienophospholes and a cyclodextrin-based sensor via click chemistry.","Organic letters","2013","15","20","5322","5325","10.1021/ol402582p","","","0.71073","MoKα","","0.0573","0.0462","","","0.1242","0.1433","","","","","","1.007","","","","has coordinates","243585","2020-10-21","18:00:00",""
"1556240","9.3359","0.0004","10.747","0.0004","17.4403","0.0007","90","","104.217","0.002","90","","1696.24","0.12","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F3 N O4 -","- C17 H18 F3 N O4 -","- C68 H72 F12 N4 O16 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71073","MoKα","","0.079","0.0567","","","0.1369","0.1583","","","","","","1.018","","","","has coordinates,has disorder","243586","2020-10-21","18:00:00",""
"1556241","15.2176","0.0006","10.8644","0.0005","11.2048","0.0005","90","","107.152","0.003","90","","1770.1","0.14","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71073","MoKα","","0.0947","0.0408","","","0.0626","0.079","","","","","","1.006","","","","has coordinates,has disorder","243587","2020-10-21","18:00:00",""
"1556242","9.626","0.004","14.7","0.005","13.253","0.005","90","","108.098","0.005","90","","1782.5","1.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Br2 N O3 -","- C17 H21 Br2 N O3 -","- C68 H84 Br8 N4 O12 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71073","MoKα","","0.0436","0.037","","","0.1028","0.1073","","","","","","1.063","","","","has coordinates","243588","2020-10-21","18:00:00",""
"1556243","9.766","0.002","17.579","0.004","10.329","0.002","90","","99.562","0.005","90","","1748.6","0.6","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O2 -","- C18 H27 N O2 -","- C72 H108 N4 O8 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71075","MoKα","","0.0483","0.0405","","","0.0995","0.108","","","","","","1.013","","","","has coordinates","243589","2020-10-21","18:00:00",""
"1556244","10.361","0.002","15.234","0.003","10.793","0.002","90","","90.876","0.005","90","","1703.4","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Br2 N O3 -","- C16 H19 Br2 N O3 -","- C64 H76 Br8 N4 O12 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71075","MoKα","","0.0322","0.0279","","","0.0686","0.0706","","","","","","1.056","","","","has coordinates","243590","2020-10-21","18:00:00",""
"1556245","9.858","0.003","17.593","0.004","10.405","0.003","90","","100.114","0.002","90","","1776.5","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71075","MoKα","","0.0329","0.028","","","0.0683","0.0706","","","","","","1.07","","","","has coordinates","243591","2020-10-21","18:00:00",""
"1556246","17.426","0.002","23.338","0.003","18.322","0.002","90","","101.814","0.004","90","","7293.5","1.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C272 H384 Br16 N16 O32 -","16","8","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71075","MoKα","","0.2349","0.1063","","","0.2268","0.2965","","","","","","1.389","","","","has coordinates","243592","2020-10-21","18:00:00",""
"1556247","5.9898","0.0001","19.4167","0.0005","18.1253","0.0004","90","","98.273","0.001","90","","2086.07","0.08","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-2-tert-butyl-4-((4-nitrophenyl)(phenyl)methylene) -4H-benzo[d][1,3]oxazine","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Sinai, Ádám; Mészáros, Ádám; Gáti, Tamás; Kudar, Veronika; Palló, Anna; Novák, Zoltán","Copper-catalyzed oxidative ring closure and carboarylation of 2-ethynylanilides.","Organic letters","2013","15","22","5654","5657","10.1021/ol402600r","","","1.54187","CuKα","","0.1272","0.0713","","","0.1392","0.159","","","","","","1.052","","","","has coordinates","243593","2020-10-21","18:00:00",""
"1556248","6.0188","0.0002","9.7294","0.0003","17.4629","0.0006","75.17","0.002","88.7","0.002","85.311","0.002","985.24","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","4-(bis(4-fluorophenyl)methylene)-2-tert-butyl -2,4-dihydro-1H-benzo[d][1,3]oxazine","","- C25 H21 F2 N O -","- C25 H21 F2 N O -","- C50 H42 F4 N2 O2 -","2","1","","Sinai, Ádám; Mészáros, Ádám; Gáti, Tamás; Kudar, Veronika; Palló, Anna; Novák, Zoltán","Copper-catalyzed oxidative ring closure and carboarylation of 2-ethynylanilides.","Organic letters","2013","15","22","5654","5657","10.1021/ol402600r","","","1.54187","CuKα","","0.1251","0.0741","","","0.1748","0.2521","","","","","","1.228","","","","has coordinates","243594","2020-10-21","18:00:00",""
"1556249","8.0904","0.0002","27.0158","0.0007","9.5814","0.0002","90","","100.78","0.001","90","","2057.24","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","227b_f1","","","- C25 H22 Br N O4 -","- C25 H22 Br N O4 -","- C100 H88 Br4 N4 O16 -","4","1","","Rojas-Martín, Jaime; Veguillas, Marcos; Ribagorda, María; Carreño, M Carmen","Synthesis of indole substituted twistenediones from a 2-quinonyl boronic acid.","Organic letters","2013","15","22","5686","5689","10.1021/ol402689b","","","0.71073","","","0.0403","0.03","","","0.1092","0.1257","","","","","","1","","","","has coordinates","243595","2020-10-21","18:00:00",""
"1556250","10.4429","0.0003","11.4676","0.0003","14.1151","0.0004","90","","107.314","0.001","90","","1613.76","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","l206jrm_126b","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Rojas-Martín, Jaime; Veguillas, Marcos; Ribagorda, María; Carreño, M Carmen","Synthesis of indole substituted twistenediones from a 2-quinonyl boronic acid.","Organic letters","2013","15","22","5686","5689","10.1021/ol402689b","","","0.71073","","","0.0691","0.0454","","","0.1195","0.1351","","","","","","1.049","","","","has coordinates","243596","2020-10-21","18:00:00",""
"1556251","8.9195","0.0001","15.2543","0.0001","13.8533","0.0002","90","","122.537","0.002","90","","1589.05","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 O S Si2 -","- C32 H46 O S Si2 -","- C64 H92 O2 S2 Si4 -","2","0.5","","Aeschi, Yves; Li, Hui; Cao, Zhencai; Chen, Songjie; Amacher, Anneliese; Bieri, Nathalie; Özen, Bilal; Hauser, Juerg; Decurtins, Silvio; Tan, Songting; Liu, Shi-Xia","Directed metalation cascade to access highly functionalized thieno[2,3-f]benzofuran and exploration as building blocks for organic electronics.","Organic letters","2013","15","21","5586","5589","10.1021/ol402787d","","","0.71073","MoKα","","0.0925","0.081","","","0.2325","0.2443","","","","","","1.043","","","","has coordinates,has disorder","243597","2020-10-21","18:00:00",""
"1556252","16.8981","0.0004","16.8981","0.0004","11.9461","0.0003","90","","90","","90","","3411.16","0.14","173","2","173.15","","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C152 H136 N40 O16 -","8","2","","Su, Xin; Aprahamian, Ivan","Zinc(II)-regulation of hydrazone switch isomerization kinetics.","Organic letters","2013","15","23","5952","5955","10.1021/ol402789y","","","0.71073","MoKα","","0.1432","0.0613","","","0.11","0.1464","","","","","","0.98","","","","has coordinates","243598","2020-10-21","18:00:00",""
"1556253","10.1618","0.0002","9.79637","0.00018","16.8542","0.0004","90","","103.655","0.002","90","","1630.39","0.06","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H36 F6 Mn N6 O6 S2 -","- C26 H36 F6 Mn N6 O6 S2 -","- C52 H72 F12 Mn2 N12 O12 S4 -","2","1","","Cussó, Olaf; Garcia-Bosch, Isaac; Font, David; Ribas, Xavi; Lloret-Fillol, Julio; Costas, Miquel","Highly stereoselective epoxidation with H2O2 catalyzed by electron-rich aminopyridine manganese catalysts.","Organic letters","2013","15","24","6158","6161","10.1021/ol403018x","","","1.54184","CuKα","","0.0566","0.0519","","","0.142","0.1467","","","","","","1.063","","","","has coordinates,has disorder","243599","2020-10-21","18:00:00",""
"1557391","3.2771","0.0001","3.2771","0.0001","21.676","0.002","90","","90","","120","","201.6","0.02","","","298","","","","100","","","","","3","P 63 m c","P 6c -2c","186","alpha-Al4SiC4","","","- C4 Al4 Si -","- C4 Al4 Si -","- C8 Al8 Si2 -","2","0.166667","","Inoue, Z.; Inomata, Y.; Tanaka, H.; Kawabata, H.","X-ray crystallographic data on aluminum silicon carbide, alpha-Al4SiC4 and Al4Si2C5","Journal of Materials Science","1980","15","","575","580","","","","","","","","","","","","","","","","","","","","","","has coordinates","248509","2020-10-21","18:00:00",""
"1557392","3.2512","0.0002","3.2512","0.0002","40.1078","0.0027","90","","90","","120","","367.15","0.04","","","298","","","","100","","","","","3","R -3 m :H","-R 3 2""","166","Al4Si2C5","","","- C5 Al4 Si2 -","- C13.5 Al12 Si6 -","- C27 Al24 Si12 -","2","0.0555556","","Inoue, Z.; Inomata, Y.; Tanaka, H.; Kawabata, H.","X-ray crystallographic data on aluminum silicon carbide, alpha-Al4SiC4 and Al4Si2C5","Journal of Materials Science","1980","15","","575","580","","","","","","","","","","","","","","","","","","","","","","has coordinates","248510","2020-10-21","18:00:00",""
"1564845","26.5046","0.001","23.0448","0.0011","31.2654","0.0018","90","","107.646","0.005","90","","18198.1","1.6","99.97","0.12","99.97","0.12","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H102 Cl2 F2 N8 O2 S5 -","- C90 H102 Cl2 F2 N8 O2 S5 -","- C720 H816 Cl16 F16 N64 O16 S40 -","8","1","","Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang","Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency","Energy & Environmental Science","2022","15","1","320","333","10.1039/D1EE01832A","","x-ray","1.54184","CuKα","","0.214","0.1481","","","0.3777","0.4448","","","","","","1.022","","","","has coordinates,has disorder","272701","2022-02-04","19:50:41",""
"1564846","26.7059","0.0007","23.0515","0.0007","31.3331","0.0011","90","","107.898","0.003","90","","18355.5","1","169.99","0.12","169.99","0.12","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H102 Br2 F2 N8 O2 S5 -","- C90 H102 Br2 F2 N8 O2 S5 -","- C720 H816 Br16 F16 N64 O16 S40 -","8","1","","Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang","Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency","Energy & Environmental Science","2022","15","1","320","333","10.1039/D1EE01832A","","x-ray","1.54184","CuKα","","0.1987","0.1623","","","0.4128","0.4474","","","","","","1.063","","","","has coordinates,has disorder","272701","2022-02-04","19:50:41",""
"1564847","16.0896","0.0006","17.7032","0.0004","17.9514","0.0005","107.551","0.002","114.327","0.003","90.288","0.002","4392.9","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C90 H102 Br2 Cl2 N8 O2 S5 -","- C90 H102 Br2 Cl2 N8 O2 S5 -","- C180 H204 Br4 Cl4 N16 O4 S10 -","2","1","","Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang","Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency","Energy & Environmental Science","2022","15","1","320","333","10.1039/D1EE01832A","","x-ray","1.54184","CuKα","","0.1553","0.1141","","","0.2918","0.3188","","","","","","0.89","","","","has coordinates,has disorder","272701","2022-02-04","19:50:41",""
"1565981","16.0665","0.0019","17.2536","0.001","17.4364","0.001","111.025","0.006","94.188","0.007","96.672","0.008","4446.7","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C100 H108 F6 N8 O2 S5 -","- C100 H108 F6 N8 O2 S5 -","- C200 H216 F12 N16 O4 S10 -","2","1","","Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J.","Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells","Energy & Environmental Science","2022","15","2","645","659","10.1039/D1EE03225A","","x-ray","1.54184","CuKα","","0.2145","0.1329","","","0.3599","0.405","","","","","","1.369","","","","has coordinates,has disorder","273375","2022-03-04","22:16:17",""
"1565982","24.0563","0.0004","25.5964","0.0004","43.2943","0.0007","90","","93.25","0.001","90","","26615.8","0.7","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C98 H102 F6 N8 O2 S5 -","- C98 H102 F6 N8 O2 S5 -","- C980 H1020 F60 N80 O20 S50 -","10","2.5","","Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J.","Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells","Energy & Environmental Science","2022","15","2","645","659","10.1039/D1EE03225A","","x-ray","1.54184","CuKα","","0.2087","0.1694","","","0.4542","0.4809","","","","","","1.783","","","","has coordinates,has disorder","273375","2022-03-04","22:16:17",""
"1566632","14.2538","0.0006","17.1903","0.0007","17.3592","0.0007","79.038","0.002","72.546","0.002","68.828","0.002","3767.7","0.3","150","2","150","","","","","","","","","4","P -1","-P 1","2","","TBPC-611","","- C78 H78 N6 O3 -","- C78 H78 N6 O3 -","- C156 H156 N12 O6 -","2","1","","Fang, Lingyi; Zhang, Yuyan; Ren, Ming; Xie, Xinrui; Li, Tianyu; Yuan, Yi; Zhang, Jing; Wang, Peng","A triple helicene based molecular semiconductor characteristic of a fully fused conjugated backbone for perovskite solar cells","Energy & Environmental Science","2022","15","4","1630","1637","10.1039/D1EE02843J","","","1.34138","GaKα","","0.1545","0.0949","","","0.2951","0.3382","","","","","","1.13","","","","has coordinates,has disorder","274981","2022-05-05","20:35:51",""
"1566850","6.4503","0.0002","15.415","0.0005","22.904","0.0008","90","","90","","90","","2277.38","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H18 Al F9 O18 S3 -","- C3 H18 Al F9 O18 S3 -","- C12 H72 Al4 F36 O72 S12 -","4","1","","Pastel, Glenn R.; Chen, Ying; Pollard, Travis P.; Schroeder, Marshall A.; Bowden, Mark E.; Zheng, Allen; Hahn, Nathan T.; Ma, Lin; Murugesan, Vijayakumar; Ho, Janet; Garaga, Mounesha; Borodin, Oleg; Mueller, Karl; Greenbaum, Steven; Xu, Kang","A sobering examination of the feasibility of aqueous aluminum batteries","Energy & Environmental Science","2022","15","6","2460","2469","10.1039/D2EE00134A","","","0.71073","MoKα","","0.0677","0.0563","","","0.1304","0.1422","","","","","","1.0159","","","","has coordinates","276623","2022-07-06","08:11:57",""
"1567342","15.4157","0.0017","17.5066","0.0017","19.617","0.002","95.374","0.006","102.99","0.007","104.699","0.006","4925.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H120 Cl6 N8 O2 S4 -","- C104 H120 Cl6 N8 O2 S4 -","- C208 H240 Cl12 N16 O4 S8 -","2","1","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","","1.34139","GaKα","","0.284","0.1337","","","0.2936","0.3449","","","","","","1.346","","","","has coordinates,has disorder","277666","2022-09-06","10:03:26",""
"1567343","17.222","0.004","59.388","0.013","19.162","0.005","90","","98.29","0.012","90","","19394","8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H120 F6 N8 O2 S4 -","- C104 H120 F6 N8 O2 S4 -","- C832 H960 F48 N64 O16 S32 -","8","2","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","","1.34139","GaKα","","0.2766","0.1929","","","0.3973","0.4267","","","","","","1.029","","","","has coordinates","277666","2022-09-06","10:03:37",""
"1567344","41.303","0.004","41.303","0.004","32.517","0.004","90","","90","","120","","48040","9","173","","173","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C104 H120 Cl4 F2 N8 O2 S4 -","- C104 H120 Cl4 F2 N8 O2 S4 -","- C1872 H2160 Cl72 F36 N144 O36 S72 -","18","1","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","x-ray","1.34139","GaKα","","0.1728","0.0932","","","0.2468","0.3145","","","","","","0.93","","","","has coordinates","277666","2022-09-06","10:03:40",""
"1567503","8.1943","0.0004","21.1329","0.0009","16.5436","0.0006","90","","90","","90","","2864.8","0.2","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cl2 N8 O8 Ru -","- C26 H22 Cl2 N8 O8 Ru -","- C104 H88 Cl8 N32 O32 Ru4 -","4","0.5","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0732","0.0622","","","0.1665","0.2083","","","","","","1.129","","","","has coordinates","278984","2022-11-07","05:24:27",""
"1567504","17.8962","0.0005","10.2796","0.0003","15.9597","0.0005","90","","90.899","0.001","90","","2935.68","0.15","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl2 N10 O8 Ru -","- C24 H24 Cl2 N10 O8 Ru -","- C96 H96 Cl8 N40 O32 Ru4 -","4","0.5","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0413","0.0366","","","0.1199","0.1283","","","","","","1.141","","","","has coordinates","278984","2022-11-07","05:24:28",""
"1567505","8.2606","0.0004","10.798","0.0005","20.5518","0.001","77.5866","0.0017","84.0528","0.0019","84.8406","0.0018","1776.36","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 F12 N9 P2 Ru -","- C30 H29 F12 N9 P2 Ru -","- C60 H58 F24 N18 P4 Ru2 -","2","1","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0549","0.0383","","","0.0796","0.0875","","","","","","1.066","","","","has coordinates,has disorder","278984","2022-11-07","05:24:28",""
"1567669","23.7933","0.0013","57.27","0.003","13.4957","0.0007","90","","109.688","0.002","90","","17314.8","1.6","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H44 F4 N8 O3 S5 -","- C74 H40 F4 N8 O3 S5 -","- C592 H320 F32 N64 O24 S40 -","8","1","","Luo, Zhenghui; Gao, Yuan; Lai, Hanjian; Li, Yuxiang; Wu, Ziang; Chen, Zhanxiang; Sun, Rui; Ren, Jiaqi; Zhang, Cai’e; He, Feng; Woo, HanYoung; Min, Jie; Yang, Chuluo","Asymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells","Energy & Environmental Science","2022","15","11","4601","4611","10.1039/D2EE01848A","","","1.54178","CuKα","","0.1304","0.1201","","","0.3265","0.3405","","","","","","1.066","","","","has coordinates","280173","2023-01-06","09:40:00",""
"1567670","13.457","0.002","23.14","0.004","30.127","0.005","70.475","0.007","86.756","0.007","80.476","0.007","8720","2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 F0.5 N16 O4.5 S5 -","- C60.5 H10 F4 N8 O2 S5 -","- C242 H40 F16 N32 O8 S20 -","4","2","","Luo, Zhenghui; Gao, Yuan; Lai, Hanjian; Li, Yuxiang; Wu, Ziang; Chen, Zhanxiang; Sun, Rui; Ren, Jiaqi; Zhang, Cai’e; He, Feng; Woo, HanYoung; Min, Jie; Yang, Chuluo","Asymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells","Energy & Environmental Science","2022","15","11","4601","4611","10.1039/D2EE01848A","","","1.54178","CuKα","","0.2085","0.1764","","","0.4153","0.448","","","","","","0.899","","","","has coordinates","280173","2023-01-06","09:40:00",""
"1567747","24.6098","0.0002","24.6098","0.0002","24.6246","0.0004","90","","90","","90","","14913.7","0.3","296","2","296","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C40 Ca21 O278 U24 -","- C40 Ca21 O278 U24 -","- C80 Ca42 O556 U48 -","2","0.25","","Tyumentseva, Olga S.; Kornyakov, Ilya V.; Kasatkin, Anatoly V.; Plášil, Jakub; Krzhizhanovskaya, Maria G.; Krivovichev, Sergey V.; Burns, Peter C.; Gurzhiy, Vladislav V.","One of Nature’s Puzzles Is Assembled: Analog of the Earth’s Most Complex Mineral, Ewingite, Synthesized in a Laboratory","Materials","2022","15","19","6643","","10.3390/ma15196643","","x-ray","0.71073","MoKα","","0.0731","0.0603","","","0.1312","0.1377","","","","","","1.09","","","","has coordinates,has disorder","278496","2022-10-08","00:30:02",""
"1567993","12.3838","0.0012","13.889","0.0014","14.7679","0.0014","64.065","0.002","80.669","0.002","83.913","0.002","2252.3","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H33 Au2 Ni O2 P3 S -","- C42 H33 Au2 Ni O2 P3 S -","- C84 H66 Au4 Ni2 O4 P6 S2 -","2","1","","Tao, Cheng-Bo; Fan, Ji-Qiang; Fei, Wenwen; Zhao, Yan; Li, Man-Bo","Structure and assembly of a hexanuclear AuNi bimetallic nanocluster.","Nanoscale","2022","15","1","109","113","10.1039/d2nr05225c","","","0.71073","MoKα","","0.0962","0.0565","","","0.1347","0.1535","","","","","","1.035","","","","has coordinates","281486","2023-03-04","18:26:25",""
"1567994","39.25","0.005","9.8991","0.0014","17.585","0.002","90","","92.559","0.004","90","","6825.7","1.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Ni O2 P2 S -","- C40 H36 Ni O2 P2 S -","- C320 H288 Ni8 O16 P16 S8 -","8","2","","Tao, Cheng-Bo; Fan, Ji-Qiang; Fei, Wenwen; Zhao, Yan; Li, Man-Bo","Structure and assembly of a hexanuclear AuNi bimetallic nanocluster.","Nanoscale","2022","15","1","109","113","10.1039/d2nr05225c","","","0.71073","MoKα","","0.1212","0.0801","","","0.1758","0.1947","","","","","","1.049","","","","has coordinates,has disorder","281486","2023-03-04","18:26:25",""
"1568031","16.9139","0.0013","14.088","0.0011","17.1758","0.0014","90","","99.958","0.002","90","","4031","0.6","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Cl2 N7 O10 Sm -","- C37 H44 Cl2 N7 O10 Sm -","- C148 H176 Cl8 N28 O40 Sm4 -","4","1","","Zhang, Chengjian; Li, Sichen; Zheng, Ruijie; Tai, Shengdi; Yang, Kang; Zhang, Kun","Highly selective and discriminative detection of small alcohols based on a dual-emission macrocyclic samarium complex.","Analytical methods : advancing methods and applications","2023","15","3","361","367","10.1039/d2ay01591a","","","0.71073","MoKα","","0.0605","0.0358","","","0.0673","0.076","","","","","","1.047","","","","has coordinates","281308","2023-03-04","17:34:59",""
"1568070","20.7149","0.0013","18.0468","0.0008","19.5556","0.0013","90","","107.343","0.007","90","","6978.3","0.8","199.99","0.1","199.99","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C48 H108 Cl12 Cu3 N6 -","- C48 H108 Cl12 Cu3 N6 -","- C192 H432 Cl48 Cu12 N24 -","4","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","1.54184","CuKα","","0.0743","0.064","","","0.1851","0.194","","","","","","1.097","","","","has coordinates","281489","2023-03-04","18:27:17",""
"1568071","12.655","0.0003","7.1832","0.0002","13.9997","0.0003","90","","94.341","0.002","90","","1268.97","0.05","199.98","0.1","199.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl4 Cu N2 -","- C24 H28 Cl4 Cu N2 -","- C48 H56 Cl8 Cu2 N4 -","2","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.0233","0.0222","","","0.0521","0.0526","","","","","","1.04","","","","has coordinates,has disorder","281489","2023-03-04","18:27:19",""
"1568072","12.6402","0.0004","7.1773","0.0002","14.0019","0.0004","90","","94.296","0.003","90","","1266.72","0.06","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl4 Cu N2 -","- C24 H28 Cl4 Cu N2 -","- C48 H56 Cl8 Cu2 N4 -","2","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.0295","0.0277","","","0.063","0.064","","","","","","1.033","","","","has coordinates","281489","2023-03-04","18:27:19",""
"1568073","20.4795","0.0005","18.1694","0.0004","19.6068","0.0006","90","","107.039","0.003","90","","6975.5","0.3","200","0.1","200","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C48 H108 Cl12 Cu3 N6 -","- C48 H108 Cl12 Cu3 N6 -","- C192 H432 Cl48 Cu12 N24 -","4","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.055","0.0398","","","0.1078","0.1144","","","","","","1.089","","","","has coordinates,has disorder","281489","2023-03-04","18:27:19",""
"1568132","20.8417","0.0011","21.4892","0.0012","23.9061","0.0012","86.621","0.004","66.127","0.005","71.885","0.005","9277.9","1","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C388 H430 Ag18 Cu8 F24 O4 P8 Sb4 -","- C388 H430 Ag18 Cu8 F24 O4 P8 Sb4 -","- C388 H430 Ag18 Cu8 F24 O4 P8 Sb4 -","1","0.5","","Sun, Xueli; Tang, Xiongkai; Gao, Yan-Li; Zhao, Yujuan; Wu, Qingyuan; Cao, Dongxu; Shen, Hui","An atomically precise Ag<sub>18</sub>Cu<sub>8</sub> nanocluster with rich alkynyl-metal coordination structures and unique SbF<sub>6</sub><sup>-</sup> assembling modes.","Nanoscale","2023","15","5","2316","2322","10.1039/d2nr05814f","","x-ray","1.54184","CuKα","","0.1912","0.1213","","","0.2877","0.3935","","","","","","1.015","","","","has coordinates,has disorder","281488","2023-03-04","18:26:43",""
"1568190","8.0196","0.0002","10.2784","0.0003","15.7772","0.0004","73.71","0.002","82.873","0.002","83.416","0.002","1234.28","0.06","229.99","0.1","230","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H58 Co N2 O4 S2 -","- C49.5 H58 Co N2 O4 S2 -","- C49.5 H58 Co N2 O4 S2 -","1","0.5","","Mishra, Esha; Ekanayaka, Thilini K.; Panagiotakopoulos, Theodoros; Le, Duy; Rahman, Talat S.; Wang, Ping; McElveen, Kayleigh A.; Phillips, Jared P.; Zaid Zaz, M.; Yazdani, Saeed; N'Diaye, Alpha T; Lai, Rebecca Y.; Streubel, Robert; Cheng, Ruihua; Shatruk, Michael; Dowben, Peter A.","Electronic structure of cobalt valence tautomeric molecules in different environments.","Nanoscale","2023","15","5","2044","2053","10.1039/d2nr06834f","","x-ray","0.71073","MoKα","","0.0816","0.0625","","","0.194","0.2085","","","","","","1.089","","","","has coordinates,has disorder","281487","2023-03-04","18:26:33",""
"1568222","23.6279","0.0005","23.6779","0.0005","23.8819","0.0005","112.131","0.001","119.538","0.001","92.924","0.001","10292.9","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C320 H480 Cu75 S32 -","- C320 H480 Cu75 S32 -","- C320 H480 Cu75 S32 -","1","0.5","","Tang, Jie; Liu, Chong; Zhu, Chenyu; Sun, Keju; Wang, He; Yin, Wen; Xu, Chuting; Li, Yang; Wang, Weiguo; Wang, Li; Wu, Renan; Liu, Chao; Huang, Jiahui","High-nuclearity and thiol protected core-shell [Cu<sub>75</sub>(S-Adm)<sub>32</sub>]<sup>2+</sup>: distorted octahedra fixed to Cu<sub>15</sub> core <i>via</i> strong cuprophilic interactions.","Nanoscale","2023","15","6","2843","2848","10.1039/d2nr05921e","","","1.54178","CuKα","","0.251","0.1854","","","0.453","0.5012","","","","","","1.594","","","","has coordinates","281491","2023-03-04","18:28:01",""
"1568236","42.573","0.005","42.573","0.005","42.573","0.005","90","","90","","90","","77162","16","120","","120","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C216 H72 Au18 Cu32 F66 S36 -","- C216 H72 Au18 Cu32 F66 S36 -","- C1728 H576 Au144 Cu256 F528 S288 -","8","0.0416667","","Tang, Li; Wang, Bin; Wang, Ru; Wang, Shuxin","Alloying and dealloying of Au<sub>18</sub>Cu<sub>32</sub> nanoclusters at precise locations <i>via</i> controlling the electronegativity of substituent groups on thiol ligands.","Nanoscale","2023","15","4","1602","1608","10.1039/d2nr05401a","","x-ray","1.54186","CuKα","","0.071","0.0554","","","0.1826","0.1976","","","","","","1.066","","","","has coordinates,has disorder","281490","2023-03-04","18:27:49",""
"1568237","21.3034","0.0006","21.5883","0.0007","21.9884","0.0007","111.776","0.002","118.542","0.002","96.201","0.002","7728.8","0.5","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C252 H252 Au20.31 Cu29.69 O36 S36 -","- C252 H252 Au20.312 Cu29.688 O36 S36 -","- C252 H252 Au20.312 Cu29.688 O36 S36 -","1","0.5","","Tang, Li; Wang, Bin; Wang, Ru; Wang, Shuxin","Alloying and dealloying of Au<sub>18</sub>Cu<sub>32</sub> nanoclusters at precise locations <i>via</i> controlling the electronegativity of substituent groups on thiol ligands.","Nanoscale","2023","15","4","1602","1608","10.1039/d2nr05401a","","","1.54186","CuKα","","0.1201","0.09","","","0.2464","0.2691","","","","","","1.057","","","","has coordinates,has disorder","281490","2023-03-04","18:27:49",""
"1568460","16.3158","0.0003","17.0494","0.0003","17.7725","0.0004","61.57","0.001","70.355","0.001","68.327","0.001","3961.72","0.14","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H90 Cl2 Ni5 S10 -","- C81 H90 Cl2 Ni5 S10 -","- C162 H180 Cl4 Ni10 S20 -","2","1","","Funaki, Sota; Kawawaki, Tokuhisa; Okada, Tomoshige; Takemae, Kana; Hossain, Sakiat; Niihori, Yoshiki; Naito, Takumi; Takagi, Makito; Shimazaki, Tomomi; Kikkawa, Soichi; Yamazoe, Seiji; Tachikawa, Masanori; Negishi, Yuichi","Improved activity for the oxygen evolution reaction using a tiara-like thiolate-protected nickel nanocluster.","Nanoscale","2023","15","11","5201","5208","10.1039/d2nr06952k","","x-ray","0.71073","MoKα","","0.037","0.0331","","","0.0726","0.0756","","","","","","1.019","","","","has coordinates","282342","2023-04-04","10:20:01",""
"1568461","3.9473","0.0002","11.3841","0.0005","32.7877","0.0016","90","","90","","90","","1473.36","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 S2 -","- C17 H16 O2 S2 -","- C68 H64 O8 S8 -","4","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.0521","0.0395","","","0.0931","0.1134","","","","","","1.118","","","","has coordinates","283372","2023-05-05","02:51:10",""
"1568462","9.4517","0.0003","23.2662","0.0004","10.4808","0.0007","90","","90","","90","","2304.78","0.17","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H27 O2 Rh S2 -","- C25 H27 O2 Rh S2 -","- C100 H108 O8 Rh4 S8 -","4","0.5","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.0417","0.0325","","","0.0643","0.0674","","","","","","1.154","","","","has coordinates,has disorder","283372","2023-05-05","02:51:13",""
"1568463","9.9782","0.0004","12.4346","0.0005","17.8296","0.0007","73.003","0.003","80.029","0.003","78.029","0.003","2054.55","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H60 Cl2 O3 P2 Ru S2 -","- C37 H60 Cl2 O3 P2 Ru S2 -","- C74 H120 Cl4 O6 P4 Ru2 S4 -","2","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","x-ray","0.71073","MoKα","","0.0605","0.0477","","","0.1262","0.1334","","","","","","1.049","","","","has coordinates","283372","2023-05-05","02:51:14",""
"1568464","8.7932","0.0006","21.5764","0.0009","32.252","0.002","90","","95.172","0.005","90","","6094.1","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H46 B2 F20 O4 S4 -","- C65 H46 B2 F20 O4 S4 -","- C260 H184 B8 F80 O16 S16 -","4","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.1484","0.0515","","","0.0978","0.1244","","","","","","0.828","","","","has coordinates,has disorder","283372","2023-05-05","02:51:14",""
"1568465","15.233","0.0002","15.233","0.0002","31.8165","0.0008","90","","90","","120","","6393.7","0.2","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C105 Br19 Mn2 N6 Pb3 -","- C105 Br19 Mn2 N6 Pb3 -","- C210 Br38 Mn4 N12 Pb6 -","2","0.166667","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","1.54178","CuKα","","0.1584","0.1432","","","0.3811","0.3947","","","","","","2.829","","","","has coordinates","282345","2023-04-04","10:21:06",""
"1568466","15.1977","0.0002","15.1977","0.0002","31.6698","0.0005","90","","90","","120","","6334.78","0.15","149.98","0.1","149.98","0.1","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C60 Br19 N6 Pb3 Zn2 -","- C60 Br19 N6 Pb3 Zn2 -","- C120 Br38 N12 Pb6 Zn4 -","2","0.166667","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","1.54178","CuKα","","0.0659","0.0591","","","0.1717","0.1791","","","","","","1.064","","","","has coordinates","282345","2023-04-04","10:21:06",""
"1568467","20.4084","0.0009","8.4516","0.0004","18.5924","0.0008","90","","122.186","0.001","90","","2714.1","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Pb -","- C20 H44 Br4 N2 Pb -","- C80 H176 Br16 N8 Pb4 -","4","0.5","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","0.71073","MoKα","","0.0224","0.022","","","0.0598","0.06","","","","","","1.118","","","","has coordinates","282345","2023-04-04","10:21:06",""
"1568483","16.934","0.005","19.721","0.006","18.703","0.006","90","","90.809","0.004","90","","6245","3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","CDACuSbI","","- C12 H33 Cu I8 N4 O0.5 Sb -","- C12 H33 Cu I8 N4 O0.5 Sb -","- C96 H264 Cu8 I64 N32 O4 Sb8 -","8","2","","Li, Qian-Wen; Bi, Le-Yu; Lassoued, Mohamed Saber; Luo, Qian-Cheng; Yan, Rong; Ding, Xin-Kai; Gou, Gao-Yang; Zheng, Yan-Zhen","Two-dimensional semiconducting Cu(I)/Sb(III) bimetallic hybrid iodides with a double perovskite structure and photocurrent response.","Nanoscale","2023","15","11","5265","5273","10.1039/d2nr06996b","","","0.71073","MoKα","","0.0997","0.0441","","","0.0774","0.0939","","","","","","0.987","","","","has coordinates","282344","2023-04-04","10:20:42",""
"1568484","32.362","0.01","8.491","0.002","19.599","0.006","90","","125.168","0.003","90","","4402","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(CA)4CuSbI8H2O","","- C24 H58 Cu I8 N4 O Sb -","- C24 H58 Cu I8 N4 O Sb -","- C96 H232 Cu4 I32 N16 O4 Sb4 -","4","0.5","","Li, Qian-Wen; Bi, Le-Yu; Lassoued, Mohamed Saber; Luo, Qian-Cheng; Yan, Rong; Ding, Xin-Kai; Gou, Gao-Yang; Zheng, Yan-Zhen","Two-dimensional semiconducting Cu(I)/Sb(III) bimetallic hybrid iodides with a double perovskite structure and photocurrent response.","Nanoscale","2023","15","11","5265","5273","10.1039/d2nr06996b","","","0.71073","MoKα","","0.0928","0.0483","","","0.11","0.1274","","","","","","1.027","","","","has coordinates","282344","2023-04-04","10:20:49",""
"1568532","9.2167","0.0004","13.7793","0.0006","23.2892","0.0007","78.74","0.003","88.981","0.003","86.659","0.003","2895.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58.03 Cl4.03 Cu6 N12 S6 -","- C44 H58.024 Cl4.024 Cu6 N12 S6 -","- C88 H116.048 Cl8.048 Cu12 N24 S12 -","2","1","","Wu, Haiming; Anumula, Rajini; Andrew, Gaya N.; Luo, Zhixun","A stable superatomic Cu<sub>6</sub>(SMPP)<sub>6</sub> nanocluster with dual emission.","Nanoscale","2023","15","8","4137","4142","10.1039/d2nr07223h","","x-ray","0.71073","MoKα","","0.1457","0.1189","","","0.3059","0.3213","","","","","","1.15","","","","has coordinates,has disorder","281123","2023-02-24","10:03:48",""
"1568541","16.454","0.0005","16.454","0.0005","9.7316","0.0006","90","","90","","120","","2281.7","0.17","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C9 H0 La0.67 N O4 S -","- C9 La0.666667 N O4 S -","- C54 La4 N6 O24 S6 -","6","1","","Zhao, Xu; Sun, Lu; Zhai, Zhouxiao; Tian, Di; Wang, Ying; Zou, Xiaoqin; Min, Chungang; Zhuang, Changfu","An ultrastable La-MOF for catalytic hydrogen transfer of furfural: <i>in situ</i> activation of the surface.","Nanoscale","2023","15","14","6645","6654","10.1039/d2nr07151g","","","0.71073","MoKα","","0.0744","0.0744","","","0.2083","0.2083","","","","","","1.175","","","","has coordinates","283370","2023-05-05","02:50:25",""
"1568544","45.81","0.02","9.357","0.004","34.484","0.016","90","","129.632","0.005","90","","11384","9","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N14 O12 S2 Zn -","- C50 H56 N14 O12 S2 Zn -","- C400 H448 N112 O96 S16 Zn8 -","8","1","","Feng, Zhihui; Zhang, Dongxue; Guo, Hui; Su, Wenqing; Tian, Yupeng; Tian, Xiaohe","Lighting up RNA-specific multi-photon and super-resolution imaging using a novel zinc complex.","Nanoscale","2023","15","11","5486","5493","10.1039/d2nr05392f","","","0.71073","MoKα","","0.1602","0.0648","","","0.1442","0.1742","","","","","","0.915","","","","has coordinates,has disorder","282343","2023-04-04","10:20:22",""
"1568558","30.034","0.003","27.879","0.003","18.1905","0.0018","90","","97.624","0.002","90","","15097","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C114 H158 Ag12 Au5 F12 O14 P13 S14 -","- C114 H158 Ag12 Au5 F12 O14 P13 S14 -","- C456 H632 Ag48 Au20 F48 O56 P52 S56 -","4","1","","Liao, Jian-Hong; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Galvanic replacement-induced introduction of a heteroligand into bimetallic and trimetallic nanoclusters.","Nanoscale","2023","15","13","6121","6125","10.1039/d3nr00509g","","","0.71073","MoKα","","0.2054","0.1084","","","0.249","0.3172","","","","","","1.104","","","","has coordinates","282341","2023-04-04","10:19:38",""
"1568559","15.878","0.003","17.651","0.003","27.489","0.005","89.453","0.004","84.379","0.005","70.43","0.006","7222","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H158 Ag10.75 Au4.25 O14 P11 Pt S14 -","- C114 H158 Ag10.75 Au4.25 O14 P11 Pt S14 -","- C228 H316 Ag21.5 Au8.5 O28 P22 Pt2 S28 -","2","1","","Liao, Jian-Hong; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Galvanic replacement-induced introduction of a heteroligand into bimetallic and trimetallic nanoclusters.","Nanoscale","2023","15","13","6121","6125","10.1039/d3nr00509g","","","0.71073","MoKα","","0.0529","0.0387","","","0.0863","0.0929","","","","","","1.024","","","","has coordinates,has disorder","282341","2023-04-04","10:19:44",""
"1568721","14.2806","0.0003","18.2744","0.0006","22.8464","0.0006","80.353","0.003","75.399","0.002","80.671","0.002","5643","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C109.83 H87.66 Au6 Cl3.66 F12 P8 Sb2 -","- C109.831 H87.662 Au6 Cl3.662 F12 P8 Sb2 -","- C219.662 H175.324 Au12 Cl7.324 F24 P16 Sb4 -","2","1","","Singh, Kundan K.; Bhattacharyya, Ayan; Havenridge, Shana; Ghabin, Mohamed; Ausmann, Hagan; Siegler, Maxime A.; Aikens, Christine M.; Das, Anindita","A first glance into mixed phosphine-stibine moieties as protecting ligands for gold clusters.","Nanoscale","2023","15","15","6934","6940","10.1039/d2nr05497c","","","0.71073","MoKα","","0.0536","0.0379","","","0.0912","0.1","","","","","","1.021","","","","has coordinates,has disorder","283371","2023-05-05","02:50:49",""
"1568750","25.6949","0.0011","25.6949","0.0011","41.525","0.003","90","","90","","120","","23743","2","159","2","159","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C324 H204 Ag16 Cl24 O24 P8 -","- C324 H204 Ag15.998 Cl24 O24 P8 -","- C972 H612 Ag47.994 Cl72 O72 P24 -","3","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","x-ray","0.71073","MoKα","","0.1147","0.0904","","","0.2081","0.2232","","","","","","0.909","","","","has coordinates,has disorder","284286","2023-06-05","04:39:08",""
"1568751","23.193","0.0003","23.193","0.0003","42.6267","0.0005","90","","90","","120","","19857.6","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","[Ag16(AnCO2)12(Fu3P)8].(OH)2.6H2O","","","- C276 H176 Ag16 O56 P8 -","- C276 H176 Ag16 O56 P8 -","- C828 H528 Ag48 O168 P24 -","3","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","1.54178","CuKα","","0.1169","0.0767","","","0.1853","0.2021","","","","","","1.051","","","","has coordinates,has disorder","284286","2023-06-05","04:39:09",""
"1568752","31.0591","0.0002","31.0591","0.0002","31.0591","0.0002","90","","90","","90","","29961.7","0.3","193","2","193","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","[Ag16(C18H15As)8(C15H9O2)12](OH)2","","","- C324 H228 Ag16 As8 O26 -","- C324 H228 Ag16 As8 O26 -","- C1296 H912 Ag64 As32 O104 -","4","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","0.71073","MoKα","","0.0741","0.0454","","","0.1061","0.117","","","","","","1.051","","","","has coordinates","284286","2023-06-05","04:39:09",""
"1568753","30.8121","0.0005","30.8121","0.0005","30.8121","0.0005","90","","90","","90","","29252.6","0.8","154","2","154","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","[Ag16(C18H15P)8(C15H9O2)12](OH)2","","","- C324 H228 Ag16 O26 P8 -","- C324 H228 Ag16 O25.998 P8 -","- C1296 H912 Ag64 O103.992 P32 -","4","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","0.71073","MoKα","","0.0411","0.037","","","0.0942","0.0965","","","","","","1.131","","","","has coordinates,has disorder","284286","2023-06-05","04:39:09",""
"1568791","14.3522","0.0012","18.7197","0.0016","7.4273","0.0006","90","","92.155","0.003","90","","1994.1","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","","Surov, Artem O.; Ramazanova, Anna G.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Virtual Screening, Structural Analysis, and Formation Thermodynamics of Carbamazepine Cocrystals.","Pharmaceutics","2023","15","3","836","","10.3390/pharmaceutics15030836","","","0.71073","MoKα","","0.0634","0.0414","","","0.1033","0.1168","","","","","","1.017","","","","has coordinates","282370","2023-04-05","05:06:44",""
"1568815","4.018","0.0002","7.9129","0.0003","12.2528","0.0005","84.363","0.003","87.988","0.004","84.405","0.004","385.71","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C20 H14 S2 -","1","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0403","0.0382","","","0.1016","0.1033","","","","","","1.059","","","","has coordinates","284926","2023-07-05","10:25:05",""
"1568816","4.0524","0.0002","8.0222","0.0003","13.5176","0.0007","75.943","0.004","84.88","0.004","83.356","0.004","422.57","0.04","102","4","102","4","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 S2 -","- C22 H14 S2 -","- C22 H14 S2 -","1","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0358","0.033","","","0.0904","0.0919","","","","","","1.103","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568817","7.397","0.0001","9.822","0.0001","18.7581","0.0003","94.62","0.001","98.47","0.001","110.871","0.001","1246.41","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O S -","- C14 H14 O S -","- C56 H56 O4 S4 -","4","2","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.033","0.0315","","","0.0833","0.0845","","","","","","1.048","","","","has coordinates,has disorder","284926","2023-07-05","10:25:06",""
"1568818","3.8055","0.0001","25.5128","0.001","5.95","0.0002","90","","93.327","0.003","90","","576.71","0.03","103","4","103","4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 -","- C16 H8 N2 -","- C32 H16 N4 -","2","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0586","0.0508","","","0.1408","0.1459","","","","","","1.107","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568819","7.3018","0.0003","8.2369","0.0003","19.0284","0.0007","90","","100.137","0.004","90","","1126.58","0.08","111","16","111","16","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 S2 -","- C28 H22 S2 -","- C56 H44 S4 -","2","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.072","0.069","","","0.1974","0.1995","","","","","","1.082","","","","has coordinates,has disorder","284926","2023-07-05","10:25:06",""
"1568820","16.2725","0.0002","5.9701","0.0001","23.8665","0.0003","90","","103.114","0.001","90","","2258.13","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.036","0.0342","","","0.0906","0.092","","","","","","1.07","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568821","7.8557","0.0003","9.7053","0.0003","38.6997","0.0009","90","","90","","90","","2950.54","0.16","100.01","0.1","100.01","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C160 H96 N16 -","8","2","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.1097","0.1136","","","","","","1.057","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568822","7.8154","0.0001","6.0042","0.0001","24.4944","0.0004","90","","98.117","0.002","90","","1137.89","0.03","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","","1.54184","CuKα","","0.0371","0.0332","","","0.0859","0.0885","","","","","","1.054","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568823","9.1799","0.0001","6.9065","0.0001","20.6965","0.0002","90","","90","","90","","1312.18","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N S -","- C17 H13 N S -","- C68 H52 N4 S4 -","4","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0331","0.0317","","","0.0836","0.0855","","","","","","1.054","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568830","15.085","0.003","19.98","0.004","27.634","0.006","90","","96.34","0.03","90","","8278","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C129 H162 Ag20 F30 N2 O24 S10 -","- C129 H162 Ag20 F30 N2 O24 S10 -","- C258 H324 Ag40 F60 N4 O48 S20 -","2","0.5","","Biswas, Sourav; Das, Anish Kumar; Sardar, Avirup; Manna, Surya Sekhar; Mondal, Pradip Kumar; Polentarutti, Maurizio; Pathak, Biswarup; Mandal, Sukhendu","Luminescent [CO<sub>2</sub>@Ag<sub>20</sub>(SAdm)<sub>10</sub>(CF<sub>3</sub>COO)<sub>10</sub>(DMA)<sub>2</sub>] nanocluster: synthetic strategy and its implication towards white light emission.","Nanoscale","2023","15","18","8377","8386","10.1039/d3nr01107k","","","0.6199","Synchrotron","","0.1625","0.1333","","","0.3906","0.4158","","","","","","1.517","","","","has coordinates,has disorder","284287","2023-06-05","04:39:40",""
"1569018","16.0358","0.0004","6.2586","0.0002","36.1603","0.0012","90","","92.17","0.002","90","","3626.51","0.19","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C84 H110 N6 O4 -","- C84 H110 N6 O4 -","- C168 H220 N12 O8 -","2","1","","Zhang, Shuqing; Hao, Aiyou; Xing, Pengyao","Solvent-resolved self-assemblies of cholesteryl-cyanostilbene conjugates with photo- and thermo-responsiveness.","Nanoscale","2023","15","21","9567","9576","10.1039/d3nr01056b","","x-ray","1.54184","CuKα","","0.1603","0.1032","","","0.2496","0.3157","","","","","","0.985","","","","has coordinates","284288","2023-06-05","04:39:54",""
"1569087","10.2051","0.0016","6.3872","0.0009","12.4369","0.0018","90","","102.597","0.012","90","","791.1","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.673 Eu0.327 O10 -","- B4 Ba Bi1.666 Eu0.334 O10 -","- B16 Ba4 Bi6.664 Eu1.336 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0659","0.0342","","","0.0318","0.0351","","","","1.25","1.25","1.12","","","","has coordinates","283561","2023-05-06","07:06:06",""
"1569088","10.1862","0.0016","6.3819","0.0009","12.4466","0.0018","90","","102.701","0.012","90","","789.3","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.942 Eu0.058 O10 -","- B4 Ba Bi1.94 Eu0.06 O10 -","- B16 Ba4 Bi7.76 Eu0.24 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0551","0.0317","","","0.0305","0.0329","","","","1.25","1.25","1.13","","","","has coordinates","283562","2023-05-06","07:06:43",""
"1569089","10.236","0.0016","6.3962","0.0009","12.3912","0.0018","90","","102.424","0.012","90","","792.3","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.574 Eu0.426 O10 -","- B4 Ba Bi1.574 Eu0.426 O10 -","- B16 Ba4 Bi6.296 Eu1.704 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0414","0.0269","","","0.0281","0.0299","","","","1.32","1.32","1.22","","","","has coordinates","283563","2023-05-06","07:07:10",""
"1569276","17.9156","0.0011","8.6942","0.0004","18.83","0.0014","90","","117.921","0.008","90","","2591.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Ag2 N6 O14 -","- C48 H60 Ag2 N6 O14 -","- C96 H120 Ag4 N12 O28 -","2","0.5","","Kurpik, Gracjan; Walczak, Anna; Markiewicz, Grzegorz; Harrowfield, Jack; Stefankiewicz, Artur R.","Enhanced catalytic performance derived from coordination-driven structural switching between homometallic complexes and heterometallic polymeric materials.","Nanoscale","2023","15","21","9543","9550","10.1039/d3nr01298k","","","0.71073","MoKα","","0.07","0.0443","","","0.0899","0.1012","","","","","","1.014","","","","has coordinates,has disorder","284158","2023-06-04","13:11:57",""
"1569356","9.1997","0.0003","9.1235","0.0003","21.9062","0.0008","90","","97.727","0.001","90","","1821.97","0.11","300","2","300","","","","","","","","","1","P 1 2/n 1","-P 2yac","13","","Violet phosphorus","","- P -","- P -","- P84 -","84","21","","Wang, Yanhao; Jin, Mengting; Gu, Mengyue; Zhao, Xuewen; Xie, Jinan; Meng, Guodong; Cheng, Yonghong; He, Jinjiang; Zhang, Jinying","Synthesis of violet phosphorus with large lateral sizes to facilitate nano-device fabrications.","Nanoscale","2023","15","29","12406","12412","10.1039/d3nr01113e","","","0.71073","MoKα","","0.0385","0.0271","","","0.0512","0.0562","","","","","","1.064","","","","has coordinates","292204","2024-06-05","14:01:46",""
"1569357","59.1396","0.0019","59.1396","0.0019","32.143","0.003","90","","90","","120","","97358","10","273.15","","273.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C234 H204 Ag24 F36 N12 O24 S12 -","- C234 H204 Ag24 F36 N12 O24 S12 -","- C2106 H1836 Ag216 F324 N108 O216 S108 -","9","0.25","","Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe<sup>3+</sup> sensing.","Nanoscale","2023","15","29","12227","12234","10.1039/d3nr01920a","","","0.71073","MoKα","","0.1197","0.0794","","","0.2372","0.2813","","","","","","1.043","","","","has coordinates,has disorder","285465","2023-08-05","09:09:31",""
"1569358","58.313","0.002","58.313","0.002","32.365","0.002","90","","90","","120","","95310","7","273.15","","273.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C234 H228 Ag24 F36 N12 O24 S12 -","- C234 H228 Ag24 F36 N12 O24 S12 -","- C2106 H2052 Ag216 F324 N108 O216 S108 -","9","0.25","","Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe<sup>3+</sup> sensing.","Nanoscale","2023","15","29","12227","12234","10.1039/d3nr01920a","","","0.71073","MoKα","","0.108","0.0721","","","0.2062","0.2519","","","","","","1.025","","","","has coordinates,has disorder","285465","2023-08-05","09:09:32",""
"1569433","24.0518","0.0001","24.0861","0.0001","24.122","0.0001","90","","90","","90","","13974.2","0.1","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C124 H98 Ag6 N16 P8 S4 -","- C124 H98 Ag6 N16 P8 S4 -","- C496 H392 Ag24 N64 P32 S16 -","4","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0388","0.0369","","","0.0983","0.0994","","","","","","1.04","","","","has coordinates","285467","2023-08-05","09:10:09",""
"1569434","24.0142","0.0001","24.1415","0.0001","24.1607","0.0002","90","","90","","90","","14006.9","0.14","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C124 H98 Ag6 N16 P8 S4 -","- C124 H98 Ag6 N16 P8 S4 -","- C496 H392 Ag24 N64 P32 S16 -","4","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0462","0.0415","","","0.1176","0.1194","","","","","","1.029","","","","has coordinates","285467","2023-08-05","09:10:09",""
"1569435","14.4279","0.0002","17.4914","0.0003","26.3185","0.0004","94.046","0.001","91.366","0.001","109.95","0.001","6219.58","0.17","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C124 H102 Ag5.95 N16 O2 P8 S4 -","- C124 H102 Ag5.95 N16 O2 P8 S4 -","- C248 H204 Ag11.9 N32 O4 P16 S8 -","2","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0934","0.0628","","","0.1452","0.1565","","","","","","1.063","","","","has coordinates,has disorder","285467","2023-08-05","09:10:09",""
"1569476","13.614","0.003","4.898","0.001","17.322","0.004","90","","90.12","0.03","90","","1155.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 N3 O2 -","- C15 H9 N3 O2 -","- C60 H36 N12 O8 -","4","2","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S.","Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime","Pharmaceutics","2023","15","7","1802","","10.3390/pharmaceutics15071802","","","0.7527","synchrotron","","0.0992","0.0659","","","0.1551","0.1708","","","","","","1.029","","","","has coordinates,has disorder","285040","2023-07-06","10:44:29",""
"1569477","5.0745","0.0001","12.3974","0.0002","25.5587","0.0004","90","","92.126","0.001","90","","1606.81","0.05","92","2","92","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 O2 -","- C20 H14 N4 O2 -","- C80 H56 N16 O8 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S.","Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime","Pharmaceutics","2023","15","7","1802","","10.3390/pharmaceutics15071802","","","1.54178","CuKα","","0.0769","0.0464","","","0.1084","0.1251","","","","","","1.026","","","","has coordinates","285041","2023-07-06","10:45:22",""
"1569478","4.4961","0.0001","23.1804","0.0004","14.3978","0.0003","90","","98.812","0.001","90","","1482.85","0.05","150","2","150","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C15 H9 N3 O -","- C15 H9 N3 O -","- C60 H36 N12 O4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S.","Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime","Pharmaceutics","2023","15","7","1802","","10.3390/pharmaceutics15071802","","","1.54178","CuKα","","0.0379","0.0368","","","0.1053","0.1062","","","","","","1.061","","","","has coordinates","285042","2023-07-06","10:45:52",""
"1569655","12.4143","0.0007","19.3563","0.0009","13.0636","0.0006","90","","103.997","0.003","90","","3045.9","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NHAC (Control)","","- C41 H29 N5 O2 -","- C41 H29 N5 O2 -","- C164 H116 N20 O8 -","4","1","","Gaikwad, Pradip A.; Samadder, Prodipta; Som, Shubham; Chopra, Deepak; Neelakandan, Prakash P.; Srivastava, Aasheesh","Luminescent hexagonal microtubes prepared through water-induced self-assembly of a polymorphic organoboron compound: formation mechanism and waveguide behaviour.","Nanoscale","2023","15","35","14380","14387","10.1039/d3nr02903d","","","0.71073","MoKα","","0.0927","0.0558","","","0.1134","0.1304","","","","","","1.0086","","","","has coordinates","286755","2023-10-06","00:22:45",""
"1569656","10.8845","0.0007","11.1645","0.0007","12.9737","0.0008","98.148","0.004","105.243","0.004","112.124","0.004","1357.02","0.16","296","2","296","","","","","","","","","5","P -1","-P 1","2","","HNBI-B","","- C33 H29 B N2 O3 -","- C33 H29 B N2 O3 -","- C66 H58 B2 N4 O6 -","2","1","","Gaikwad, Pradip A.; Samadder, Prodipta; Som, Shubham; Chopra, Deepak; Neelakandan, Prakash P.; Srivastava, Aasheesh","Luminescent hexagonal microtubes prepared through water-induced self-assembly of a polymorphic organoboron compound: formation mechanism and waveguide behaviour.","Nanoscale","2023","15","35","14380","14387","10.1039/d3nr02903d","","","0.71073","MoKα","","0.0759","0.0541","","","0.1372","0.1498","","","","","","1.037","","","","has coordinates","286755","2023-10-06","00:22:45",""
"1569657","11.7055","0.0002","11.9927","0.0002","16.2739","0.0003","73.063","0.001","74.387","0.001","88.94","0.001","2100.35","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","HNBI-B","","- C29 H21 B N2 O -","- C29 H21 B N2 O -","- C116 H84 B4 N8 O4 -","4","2","","Gaikwad, Pradip A.; Samadder, Prodipta; Som, Shubham; Chopra, Deepak; Neelakandan, Prakash P.; Srivastava, Aasheesh","Luminescent hexagonal microtubes prepared through water-induced self-assembly of a polymorphic organoboron compound: formation mechanism and waveguide behaviour.","Nanoscale","2023","15","35","14380","14387","10.1039/d3nr02903d","","","0.71073","MoKα","","0.0827","0.0554","","","0.1288","0.1416","","","","","","1.073","","","","has coordinates","286755","2023-10-06","00:22:45",""
"1569669","28.0881","0.0003","18.3857","0.0002","82.4807","0.001","90","","91.541","0.001","90","","42579.2","0.8","120","","120","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C136 H128 Ag9 Au5 Cu2 O2 P4 S8 -","- C136 H128 Ag9 Au5 Cu2 O2 P4 S8 -","- C1632 H1536 Ag108 Au60 Cu24 O24 P48 S96 -","12","1.5","","Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou","Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>.","Nanoscale","2023","15","33","13784","13789","10.1039/d3nr03288d","","x-ray","1.54186","CuKα","","0.0753","0.0423","","","0.0892","0.0952","","","","","","0.821","","","","has coordinates","286155","2023-09-05","20:02:00",""
"1569670","23.4047","0.0007","56.3203","0.0016","46.1622","0.0018","90","","90","","90","","60849","3","120","","120","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","","- C120 H80 Ag11.27 Au4.73 Cl16 O2 P4 S8 -","- C120 H80 Ag11.292 Au4.708 Cl16 O2 P4 S8 -","- C1920 H1280 Ag180.672 Au75.328 Cl256 O32 P64 S128 -","16","1","","Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou","Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>.","Nanoscale","2023","15","33","13784","13789","10.1039/d3nr03288d","","x-ray","1.54186","CuKα","","0.1605","0.1193","","","0.3143","0.3458","","","","","","1.041","","","","has coordinates,has disorder","286155","2023-09-05","20:02:00",""
"1569671","15.839","0.002","21.943","0.003","23.474","0.002","87.071","0.009","83.398","0.009","78.741","0.01","7945","1.7","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C127.65 H110.72 Ag11 Au5 Cl5.35 O2 P4 S8 -","- C127.65 H110.71 Ag11 Au5 Cl5.35 O2 P4 S8 -","- C255.3 H221.42 Ag22 Au10 Cl10.7 O4 P8 S16 -","2","1","","Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou","Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>.","Nanoscale","2023","15","33","13784","13789","10.1039/d3nr03288d","","x-ray","1.54186","CuKα","","0.0914","0.0656","","","0.1686","0.181","","","","","","0.925","","","","has coordinates,has disorder","286155","2023-09-05","20:02:00",""
"1569733","16.4557","0.0004","30.7351","0.0006","37.4768","0.001","90","","97.714","0.002","90","","18783","0.8","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C162 H158 Ag18 Cl8 F12 P12 Pt Sb2 -","- C162 H158 Ag18 Cl8 F12 P12 Pt Sb2 -","- C648 H632 Ag72 Cl32 F48 P48 Pt4 Sb8 -","4","0.5","","Wang, Meng; Wang, Lin; Wu, Haoyuan; Sun, Jing; Xu, Xiaoxuan; Guo, Shuo; Jia, Yanyuan; Li, Simin; Guan, Zong-Jie; Shen, Hui","PtAg<sub>18</sub> superatoms costabilized by phosphines and halides: synthesis, structure, and catalysis.","Nanoscale","2023","15","44","17818","17824","10.1039/d3nr02196c","","x-ray","1.54184","CuKα","","0.1239","0.0826","","","0.2206","0.2627","","","","","","1.019","","","","has coordinates","288825","2024-01-06","08:29:42",""
"1569762","31.3153","0.0002","21.44","0.0002","37.3504","0.0003","90","","97.916","0.001","90","","24838.1","0.3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C204 H158 Ag28 P6 Pt S36 -","- C204 H158 Ag28 P6 Pt S36 -","- C816 H632 Ag112 P24 Pt4 S144 -","4","0.5","","Shen, Honglei; Zhu, Qingtao; Xu, Jiawei; Ni, Kun; Wei, Xiao; Du, Yuanxin; Gao, Shan; Kang, Xi; Zhu, Manzhou","Stepwise construction of Ag<sub>29</sub> nanocluster-based hydrogen evolution electrocatalysts.","Nanoscale","2023","15","36","14941","14948","10.1039/d3nr03537a","","x-ray","1.54186","CuKα","","0.0909","0.0838","","","0.23","0.242","","","","","","1.022","","","","has coordinates","286754","2023-10-06","00:22:32",""
"1569795","20.285","0.003","20.285","0.003","20.285","0.003","90","","90","","90","","8347","2","150","","150","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H84 Ag5 Cl2 N6 O32 S6 Tb -","- C30 H60 Ag5 N6 O12 S6 Tb -","- C120 H240 Ag20 N24 O48 S24 Tb4 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1314","0.1209","","","0.2885","0.3019","","","","","","1.122","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569796","20.2017","0.0006","20.2017","0.0006","20.2017","0.0006","90","","90","","90","","8244.5","0.4","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H90 Ag5 Cl2 Eu N6 O35 S6 -","- C30 H60 Ag5 Eu N6 O12 S6 -","- C120 H240 Ag20 Eu4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1117","0.0786","","","0.1984","0.2241","","","","","","1.039","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569797","20.2194","0.0005","20.2194","0.0005","20.2194","0.0005","90","","90","","90","","8266.2","0.4","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H90 Ag5 Cl2 Gd N6 O35 S6 -","- C30 H60 Ag5 Gd N6 O12 S6 -","- C120 H240 Ag20 Gd4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1034","0.0706","","","0.1804","0.2102","","","","","","1.029","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569798","20.241","0.002","20.241","0.002","20.241","0.002","90","","90","","90","","8292.7","1.4","150","","150","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H82 Ag5 Cl2 N6 O31 S6 Tb -","- C30 H60 Ag5 N6 O12 S6 Tb -","- C120 H240 Ag20 N24 O48 S24 Tb4 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1047","0.0886","","","0.2318","0.2497","","","","","","1.041","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569799","20.2305","0.0007","20.2305","0.0007","20.2305","0.0007","90","","90","","90","","8279.8","0.5","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H108 Ag5 Cl2 Eu N6 O44 S6 -","- C30 H60 Ag5 Eu N6 O12 S6 -","- C120 H240 Ag20 Eu4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1294","0.0759","","","0.1791","0.2266","","","","","","1.021","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569800","20.354","0.005","20.354","0.005","20.354","0.005","90","","90","","90","","8432","4","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H84 Ag5 Cl2 Gd N6 O32 S6 -","- C30 H60 Ag5 Gd N6 O12 S6 -","- C120 H240 Ag20 Gd4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1189","0.0845","","","0.2041","0.2171","","","","","","0.937","","","","has coordinates","287364","2023-11-06","07:50:24",""
"1569861","24.1539","0.0005","24.1539","0.0005","20.9231","0.0009","90","","90","","120","","10571.4","0.6","273.15","","273.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C114 H120 Ag12 F18 N18 O24 S6 -","- C114 H120 Ag12 F18 N18 O24 S6 -","- C342 H360 Ag36 F54 N54 O72 S18 -","3","0.166667","","Nakatani, Riki; Biswas, Sourav; Irie, Tsukasa; Sakai, Jin; Hirayama, Daisuke; Kawawaki, Tokuhisa; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","A new two-dimensional luminescent Ag<sub>12</sub> cluster-assembled material and its catalytic activity for reduction of hexacyanoferrate(III).","Nanoscale","2023","15","40","16299","16306","10.1039/d3nr03343k","","","0.71073","MoKα","","0.0441","0.0357","","","0.0888","0.0962","","","","","","1.042","","","","has coordinates,has disorder","287363","2023-11-06","07:49:34",""
"1570136","5.156","0.00012","8.6547","0.0003","11.5154","0.0003","93.614","0.002","93.5413","0.0019","102.71","0.002","498.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H Cu O -","- C1.77778 H3.11111 Cu0.222222 O0.888889 -","- C16 H28 Cu2 O8 -","9","4.5","","Boudie, Claire; Maréchal, Manuel; Ah-Lung, Guillaume; Jacquemin, Johan; Nockemann, Peter","Tuneable-by-design copper oxide nanoparticles in ionic liquid nanofluids.","Nanoscale","2023","15","45","18423","18434","10.1039/d3nr04159j","","","1.54184","CuKα","","0.0247","0.0246","","","0.0648","0.0649","","","","","","1.05","","","","has coordinates","288827","2024-01-06","08:31:39",""
"1570137","14.3866","0.0006","15.9472","0.0009","17.1521","0.0008","65.732","0.005","77.128","0.004","67.802","0.005","3310.9","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C112 H193 Cu4 N16 O32 -","- C112 H193 Cu4 N16 O32 -","- C112 H193 Cu4 N16 O32 -","1","0.5","","Boudie, Claire; Maréchal, Manuel; Ah-Lung, Guillaume; Jacquemin, Johan; Nockemann, Peter","Tuneable-by-design copper oxide nanoparticles in ionic liquid nanofluids.","Nanoscale","2023","15","45","18423","18434","10.1039/d3nr04159j","","x-ray","1.54184","CuKα","","0.0814","0.0637","","","0.1767","0.1863","","","","","","1.111","","","","has coordinates,has disorder","288827","2024-01-06","08:31:49",""
"1570138","17.105","0.0004","17.4308","0.0006","18.9701","0.0006","63.412","0.003","86.315","0.002","76.256","0.003","4907.3","0.3","99.9","0.2","99.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H162 Cu2 N8 O16 -","- C88 H162 Cu2 N8 O16 -","- C176 H324 Cu4 N16 O32 -","2","1","","Boudie, Claire; Maréchal, Manuel; Ah-Lung, Guillaume; Jacquemin, Johan; Nockemann, Peter","Tuneable-by-design copper oxide nanoparticles in ionic liquid nanofluids.","Nanoscale","2023","15","45","18423","18434","10.1039/d3nr04159j","","x-ray","1.54184","CuKα","","0.1186","0.103","","","0.263","0.2727","","","","","","1.098","","","","has coordinates","288827","2024-01-06","08:31:53",""
"1570139","8.069","0.0003","13.7637","0.0005","16.3101","0.0005","70.036","0.003","89.552","0.003","89.76","0.003","1702.48","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C11 H10 Cu N O -","- C7.71429 H12.8571 Cu0.857143 N0.857143 O4.28571 -","- C54 H90 Cu6 N6 O30 -","7","7","","Boudie, Claire; Maréchal, Manuel; Ah-Lung, Guillaume; Jacquemin, Johan; Nockemann, Peter","Tuneable-by-design copper oxide nanoparticles in ionic liquid nanofluids.","Nanoscale","2023","15","45","18423","18434","10.1039/d3nr04159j","","x-ray","1.54184","CuKα","","0.0355","0.0347","","","0.0898","0.0907","","","","","","1.052","","","","has coordinates","288827","2024-01-06","08:32:04",""
"1570152","5.7751","0.0006","46.275","0.003","7.778","0.0008","90","","90.655","0.01","90","","2078.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 S -","- C26 H24 N2 S -","- C104 H96 N8 S4 -","4","1","","Naithani, Sudhanshu; Goswami, Nidhi; Singh, Sain; Yadav, Vikas; Kumar, Sanjay; Kumar, Pramod; Kumar, Amit; Goswami, Tapas; Kumar, Sushil","Turn-on detection of Al<sup>3+</sup> and Zn<sup>2+</sup> ions by a NSN donor probe: reversibility, logic gates and DFT calculations.","Analytical methods : advancing methods and applications","2023","15","44","6021","6030","10.1039/d3ay01534c","","","1.54184","CuKα","","0.1694","0.1178","","","0.3025","0.3474","","","","","","1.119","","","","has coordinates","288074","2023-12-06","14:03:34",""
"1570192","12.554","0.005","14.479","0.004","15.943","0.006","90","","105.032","0.014","90","","2798.8","1.7","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 -","- C40 H34 -","- C160 H136 -","4","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0694","0.0498","","","0.1253","0.1399","","","","","","1.032","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570193","29.1349","0.0009","13.8389","0.0005","14.8881","0.0006","90","","92.953","0.001","90","","5994.8","0.4","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 -","- C44 H36 -","- C352 H288 -","8","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0745","0.0534","","","0.1227","0.1345","","","","","","1.017","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570194","29.2871","0.0011","13.7319","0.0005","15.0245","0.0005","90","","94.365","0.002","90","","6024.8","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 B2 N2 -","- C40 H36 B2 N2 -","- C320 H288 B16 N16 -","8","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0719","0.0527","","","0.1349","0.1473","","","","","","1.035","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570195","17.5703","0.0006","8.2181","0.0003","20.6544","0.0008","90","","107.203","0.001","90","","2848.96","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B2 N2 -","- C36 H34 B2 N2 -","- C144 H136 B8 N8 -","4","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0714","0.0508","","","0.1188","0.1283","","","","","","1.039","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570196","13.0913","0.0014","14.9897","0.0016","19.698","0.002","86.55","0.004","86.961","0.004","69.776","0.004","3618.4","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H33 B2 Cl N4 -","- C38.5 H33 B2 Cl N4 -","- C154 H132 B8 Cl4 N16 -","4","2","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.095","0.061","","","0.1369","0.1527","","","","","","1.026","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570197","21.8649","0.0009","12.8104","0.0008","22.9768","0.0011","90","","108.44","0.002","90","","6105.3","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 B2 Br2 N2 -","- C36 H32 B2 Br2 N2 -","- C288 H256 B16 Br16 N16 -","8","2","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0696","0.0423","","","0.0853","0.0957","","","","","","1.031","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570282","12.1859","0.0003","12.1859","0.0003","19.308","0.0006","90","","90","","120","","2483.04","0.12","300.1","0.6","300.1","0.6","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","- Cl3 F18 Na63 O84 S21 -","3","0.5","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0434","0.0334","","","0.0954","0.1017","","","","","","1.009","","","","has coordinates","287466","2023-11-07","08:11:13",""
"1570283","7.0714","0.0002","7.0714","0.0002","19.5972","0.0007","90","","90","","120","","848.66","0.05","600","0.4","600","0.4","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","1","0.0833333","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0578","0.0485","","","0.1602","0.1697","","","","","","1.018","","","","has coordinates,has disorder","287467","2023-11-07","08:11:40",""
"1570284","12.1903","0.0002","12.1903","0.0002","13.9454","0.0002","90","","90","","120","","1794.69","0.05","300.1","0.6","300.1","0.6","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cl F4 Na15 O20 S5 -","- Cl F4 Na15 O20 S5 -","- Cl3 F12 Na45 O60 S15 -","3","0.5","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0294","0.0273","","","0.0709","0.0722","","","","","","1.031","","","","has coordinates","287468","2023-11-07","08:12:03",""
"1570349","13.6239","0.0016","7.8788","0.0011","19.179","0.003","90","","92.723","0.011","90","","2056.3","0.5","297","","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N2 O S2 -","- C23.98 H20.94 N2 O S2 -","- C95.92 H83.76 N8 O4 S8 -","4","1","","Sahoo, Priya Ranjan; Kumar, Nikhil; Sairam, Keloth; Gulati, L. K.; Gulati, G. K.; Datta, Anupama; Kumar, Satish","A tuning fork-shaped bisbenzothiazole derivative as a pH-responsive digital fluorescent probe and its <i>ex vivo</i> evaluation.","Analytical methods : advancing methods and applications","2023","15","48","6722","6726","10.1039/d3ay01702h","","","0.71073","MoKα","","0.286","0.0847","","","0.1329","0.2019","","","","","","0.867","","","","has coordinates,has disorder","288717","2024-01-06","06:47:50",""
"1570364","18.984","0.004","28.994","0.006","28.216","0.006","90","","99.45","0.03","90","","15320","6","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H114 Cl4 Ni11 S22 -","- C134 H114 Cl4 Ni11 S22 -","- C536 H456 Cl16 Ni44 S88 -","4","0.5","","Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo","Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis.","Nanoscale","2023","15","47","19079","19084","10.1039/d3nr05328h","","","1.54178","CuKα","","0.0761","0.0681","","","0.2096","0.2183","","","","","","1.055","","","","has coordinates,has disorder","288826","2024-01-06","08:30:36",""
"1570365","23.4478","0.0013","30.2351","0.0016","48.07","0.003","90","","90","","90","","34079","3","273.15","","273.15","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C142 H140 Ni10 O S20 -","- C142 H140 Ni10 O S20 -","- C1136 H1120 Ni80 O8 S160 -","8","0.25","","Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo","Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis.","Nanoscale","2023","15","47","19079","19084","10.1039/d3nr05328h","","","1.54178","CuKα","","0.0688","0.0487","","","0.1357","0.1462","","","","","","1.026","","","","has coordinates","288826","2024-01-06","08:30:48",""
"1570366","15.8258","0.0018","16.279","0.002","16.292","0.002","64.679","0.004","77.271","0.004","69.706","0.005","3545.7","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C121 H100 Cl2 Pd10 S20 -","- C121 H100 Cl2 Pd10 S20 -","- C121 H100 Cl2 Pd10 S20 -","1","0.5","","Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo","Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis.","Nanoscale","2023","15","47","19079","19084","10.1039/d3nr05328h","","","0.71073","MoKα","","0.06","0.0434","","","0.1021","0.111","","","","","","1.029","","","","has coordinates,has disorder","288826","2024-01-06","08:30:52",""
"1570367","15.4893","0.0015","17.1391","0.0016","27.979","0.003","73.147","0.004","85.831","0.005","88.799","0.005","7089.8","1.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C110 H94 Cl4 Pd9 S18 -","- C110 H94 Cl4 Pd9 S18 -","- C220 H188 Cl8 Pd18 S36 -","2","1","","Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo","Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis.","Nanoscale","2023","15","47","19079","19084","10.1039/d3nr05328h","","","0.71073","MoKα","","0.1555","0.0987","","","0.2794","0.3172","","","","","","1.062","","","","has coordinates","288826","2024-01-06","08:30:55",""
"1570368","36.1","0.6","19.23","0.07","7.97","0.05","90","","90","","90","","5533","10","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","NO2-PDI","","","- C34 H29 N3 O6 -","- C34 H29 N3 O6 -","- C272 H232 N24 O48 -","8","1","","Mathew, Renny; Mazumder, Aniruddha; Kumar, Praveen; Matula, Julie; Mohamed, Sharmarke; Brazda, Petr; Hariharan, Mahesh; Thomas, Brijith","Unveiling the topology of partially disordered micro-crystalline nitro-perylenediimide with X-aggregate stacking: an integrated approach.","Chemical science","2024","15","2","490","499","10.1039/d3sc05514k","","electron","0.0251","electron","","0.3278","0.223","","","0.2168","0.2289","","","","0","0","3.9855","","","","has coordinates","289415","2024-02-04","11:31:20",""
"1570373","13.2705","0.001","21.6957","0.0016","22.113","0.0017","111.223","0.003","102.466","0.003","104.738","0.003","5394.3","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C136 H90 Cl2 N4 O16 -","- C136 H90 Cl2 N4 O16 -","- C272 H180 Cl4 N8 O32 -","2","2","","Weh, Manuel; Kroeger, Asja A.; Anhalt, Olga; Karton, Amir; Würthner, Frank","Mutual induced fit transition structure stabilization of corannulene's bowl-to-bowl inversion in a perylene bisimide cyclophane.","Chemical science","2024","15","2","609","617","10.1039/d3sc05341e","","","1.54178","CuKα","","0.0515","0.0503","","","0.1461","0.1478","","","","","","1.015","","","","has coordinates,has disorder","289413","2024-02-04","11:31:00",""
"1570375","21.5943","0.0005","5.8735","0.0001","9.8361","0.0002","90","","100.575","0.002","90","","1226.36","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N2 O2 S -","- C12 H13 F N2 O2 S -","- C48 H52 F4 N8 O8 S4 -","4","1","","Punjajom, Kunlayanee; Sinclair, Paul P.; Saha, Ishika; Seierstad, Mark; Ameriks, Michael K.; García-Reynaga, Pablo; Lebold, Terry P.; Sarpong, Richmond","Convergent synthesis of thiodiazole dioxides from simple ketones and amines through an unusual nitrogen-migration mechanism.","Chemical science","2023","15","1","328","335","10.1039/d3sc04478e","","x-ray","1.54184","CuKα","","0.0448","0.0391","","","0.105","0.1089","","","","","","1.065","","","","has coordinates","289398","2024-02-04","11:27:03",""
"1570391","17.7546","0.0004","15.532","0.0003","28.3321","0.0006","90","","99.228","0.001","90","","7711.9","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(dibromomethyl)(triphenyl)phosphanium bromide","","- C19 H16 Br3 P -","- C19 H16 Br3 P -","- C304 H256 Br48 P16 -","16","2","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0433","0.0328","","","0.0806","0.0878","","","","","","1.029","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570392","32.27","0.002","32.27","0.002","11.323","0.0008","90","","90","","120","","10211.5","1.1","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","dibromomethyl)triphenylphosphonium bromide nitromethane solvate","","- C20 H19 Br3 N O2 P -","- C20 H19 Br3 N O2 P -","- C360 H342 Br54 N18 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0308","0.0278","","","0.0647","0.0674","","","","","","1.042","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570393","33.1499","0.0005","33.1499","0.0005","11.1629","0.0002","90","","90","","120","","10623.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetonitrile solvate","","- C21 H19 Br3 N P -","- C21 H19 Br3 N P -","- C378 H342 Br54 N18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0407","0.0372","","","0.0977","0.1014","","","","","","1.064","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570394","32.4936","0.0008","32.4936","0.0008","11.3322","0.0008","90","","90","","120","","10361.9","0.8","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetic acid solvate","","- C21 H20 Br3 O2 P -","- C21 H20 Br3 O2 P -","- C378 H360 Br54 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0352","0.0333","","","0.0841","0.0859","","","","","","1.055","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570395","33.4263","0.0004","33.4263","0.0004","11.2099","0.0002","90","","90","","120","","10847","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 2-butanone solvate","","- C23 H24 Br3 O P -","- C23 H24 Br3 O P -","- C414 H432 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0317","0.0291","","","0.07","0.0723","","","","","","1.077","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570396","32.283","0.002","32.283","0.002","11.5522","0.0008","90","","90","","120","","10426.6","1.2","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide prop-2-enoic acid","","- C22 H20 Br3 O2 P -","- C22 H20 Br3 O2 P -","- C396 H360 Br54 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0457","0.0411","","","0.0957","0.0994","","","","","","1.054","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570397","33.612","0.002","33.612","0.002","11.4292","0.0007","90","","90","","120","","11182.4","1.2","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide N-Methylpyrrolidone solvate","","- C24 H25 Br3 N O P -","- C24 H25 Br3 N O P -","- C432 H450 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0741","0.0419","","","0.1021","0.1365","","","","","","1.086","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570398","33.4643","0.0005","33.4643","0.0005","11.1613","0.0002","90","","90","","120","","10824.5","0.3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylsulfoxide solvate","","- C21 H22 Br3 O P S -","- C21 H22 Br3 O P S -","- C378 H396 Br54 O18 P18 S18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0412","0.0393","","","0.1037","0.1059","","","","","","1.065","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570399","33.1823","0.0009","33.1823","0.0009","11.4506","0.0003","90","","90","","120","","10918.7","0.5","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylformamide solvate","","- C22 H23 Br3 N O P -","- C22 H23 Br3 N O P -","- C396 H414 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0553","0.0445","","","0.1179","0.1319","","","","","","1.056","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570400","33.0726","0.0018","33.0726","0.0018","11.369","0.0006","90","","90","","120","","10769.4","1","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylacetamide solvate","","- C23 H25 Br3 N O P -","- C23 H25 Br3 N O P -","- C414 H450 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0309","0.0295","","","0.0693","0.0701","","","","","","1.067","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570401","33.144","0.0005","33.144","0.0005","11.465","0.0002","90","","90","","120","","10907.2","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 1-isobutylaldehyde","","- C22 H22 Br3 O0.75 P -","- C22 H22 Br3 O0.75 P -","- C396 H396 Br54 O13.5 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.042","0.037","","","0.0891","0.0945","","","","","","1.046","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570402","33.0003","0.0006","33.0003","0.0006","11.135","0.0002","90","","90","","120","","10501.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide acetone solvate","","- C22 H22 Br3 O P -","- C22 H22 Br3 O P -","- C396 H396 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0357","0.0291","","","0.0655","0.0711","","","","","","1.083","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570403","32.9862","0.0015","32.9862","0.0015","12.0449","0.0008","90","","90","","120","","11350.1","1","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(diiodomethyl)(triphenyl)phosphanium iodide nitromethane solvate","","- C20 H19 I3 N O2 P -","- C20 H19 I3 N O2 P -","- C360 H342 I54 N18 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0976","0.0599","","","0.152","0.1826","","","","","","1.047","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570404","32.8602","0.0012","32.8602","0.0012","11.266","0.0004","90","","90","","120","","10535.2","0.7","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 1-proprionaldehyde","","- C42 H41 Br6 O P2 -","- C42 H41 Br6 O P2 -","- C378 H369 Br54 O9 P18 -","9","0.5","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0662","0.0554","","","0.1595","0.1764","","","","","","1.029","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570405","32.8339","0.0005","32.8339","0.0005","11.1368","0.0002","90","","90","","120","","10397.7","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetaldehyde","","- C21 H20 Br3 O P -","- C21 H20 Br3 O P -","- C378 H360 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0382","0.0313","","","0.0907","0.098","","","","","","1.046","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570406","14.8074","0.0002","12.4892","0.0002","20.5366","0.0003","90","","90","","90","","3797.89","0.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(iodomethyl)(triphenyl)phosphanium iodide","","- C19 H17 I2 P -","- C19 H17 I2 P -","- C152 H136 I16 P8 -","8","2","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0232","0.0221","","","0.0527","0.0538","","","","","","1.054","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570407","12.2883","0.0002","12.5399","0.0002","12.1077","0.0002","90","","90","","90","","1865.72","0.05","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(dichloromethyl)triphenylphosphonium chloride","","- C19 H16 Cl3 P -","- C19 H16 Cl3 P -","- C76 H64 Cl12 P4 -","4","0.5","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0539","0.0371","","","0.0827","0.1","","","","","","1.053","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570408","33.2157","0.0004","33.2157","0.0004","11.3174","0.0002","90","","90","","120","","10813.4","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide cyclobutanone","","- C23 H22 Br3 O P -","- C23 H22 Br3 O P -","- C414 H396 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0356","0.0316","","","0.0999","0.1052","","","","","","1.053","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570409","17.9065","0.0003","15.4002","0.0003","7.3943","0.0001","90","","90","","90","","2039.08","0.06","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H20 Cl4 O7 S8 -","- C40 H20 Cl4 O7 S8 -","- C80 H40 Cl8 O14 S16 -","2","0.5","","Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang","NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.","Chemical science","2024","15","5","1692","1699","10.1039/d3sc03532h","","x-ray","1.3405","GaKα","","0.0592","0.0555","","","0.1774","0.1827","","","","","","1.07","","","","has coordinates","289400","2024-02-04","11:27:17",""
"1570410","13.343","0.008","10.807","0.006","14.322","0.009","90","","111.45","0.02","90","","1922","2","201","2","201.34","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H4 Cl4 N0.25 O6 -","- C24 H6 Cl4 O6 -","- C96 H24 Cl16 O24 -","4","1","","Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang","NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.","Chemical science","2024","15","5","1692","1699","10.1039/d3sc03532h","","","0.71073","MoKα","","0.0409","0.0325","","","0.0843","0.0889","","","","","","1.018","","","","has coordinates","289400","2024-02-04","11:27:17",""
"1570411","15.37851","0.00009","22.32456","0.00014","7.70669","0.00005","90","","91.6555","0.0005","90","","2644.74","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br2 N2 O4 S2 -","- C28 H24 Br2 N2 O4 S2 -","- C112 H96 Br8 N8 O16 S8 -","4","1","","Zhao, Lingli; Cao, Yanyan; Qin, Hanwen; He, Xi; Zhao, Zhiyuan; Guo, Yunlong; Chen, Huajie","Synthesis and charge-transport properties of novel π-conjugated polymers incorporating core-extended naphtho[2,1-b:3,4-b′]dithiophene diimides","Polymer Chemistry","2024","15","2","59","70","10.1039/D3PY01186K","","x-ray","1.54184","CuKα","","0.0286","0.0271","","","0.0722","0.0732","","","","","","1.041","","","","has coordinates,has disorder","289649","2024-02-04","12:33:07",""
"1570412","10.0726","0.0003","14.3581","0.0004","15.3628","0.0004","109.639","0.003","95.666","0.002","108.274","0.003","1934.6","0.11","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","- C104 H80 N8 O4 -","2","1","","Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli","Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs.","Chemical science","2024","15","2","545","554","10.1039/d3sc05188a","","x-ray","1.54184","CuKα","","0.0494","0.0416","","","0.1114","0.1179","","","","","","1.051","","","","has coordinates","289420","2024-02-04","11:32:01",""
"1570413","5.9658","0.0002","17.8685","0.0007","25.1599","0.001","76.932","0.004","86.233","0.003","86.248","0.003","2603.41","0.17","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 N4 O2 -","- C64 H64 N4 O2 -","- C128 H128 N8 O4 -","2","1","","Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli","Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs.","Chemical science","2024","15","2","545","554","10.1039/d3sc05188a","","x-ray","1.54184","CuKα","","0.1192","0.0604","","","0.1358","0.1678","","","","","","1.016","","","","has coordinates,has disorder","289420","2024-02-04","11:32:01",""
"1570414","7.1815","0.0003","17.3109","0.0007","46.2197","0.0017","90","","90","","90","","5746","0.4","173.01","0.1","173.01","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C33 H22 F7 N3 O2 -","- C33 H22 F7 N3 O2 -","- C264 H176 F56 N24 O16 -","8","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.0634","0.0522","","","0.1467","0.1567","","","","","","0.857","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570415","8.3043","0.0002","8.691","0.0002","20.6746","0.0004","80.978","0.002","81.965","0.002","67.556","0.003","1356.82","0.06","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 F7 N3 O2 -","- C33 H22 F7 N3 O2 -","- C66 H44 F14 N6 O4 -","2","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.0677","0.0574","","","0.1627","0.1729","","","","","","1.072","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570416","17.8394","0.0003","8.2183","0.0002","22.8962","0.0005","90","","102.884","0.002","90","","3272.29","0.12","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C79 H64 F14 N6 O4 -","- C79 H64 F14 N6 O4 -","- C158 H128 F28 N12 O8 -","2","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.1279","0.1107","","","0.2864","0.299","","","","","","1.064","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570417","22.8294","0.0003","9.4458","0.0001","31.1842","0.0005","90","","90.301","0.002","90","","6724.53","0.16","173","0.1","173","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C73 H57 Cl3 F14 N6 O4 -","- C73 H57 Cl3 F14 N6 O4 -","- C292 H228 Cl12 F56 N24 O16 -","4","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.1445","0.1282","","","0.3922","0.4079","","","","","","1.708","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570418","8.6927","0.0009","29.467","0.003","11.3135","0.0012","90","","112.393","0.003","90","","2679.4","0.5","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H80 O13 -","- C61 H80 O13 -","- C122 H160 O26 -","2","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.043","0.0428","","","0.1162","0.1165","","","","","","1.015","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570419","8.7346","0.0003","9.9202","0.0003","28.6562","0.0008","90","","90","","90","","2483.03","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0514","0.0511","","","0.1454","0.1463","","","","","","1.085","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570420","8.8971","0.0002","15.2326","0.0003","18.8392","0.0003","90","","90","","90","","2553.2","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C120 H152 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0345","0.0344","","","0.0889","0.089","","","","","","1.068","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570421","8.7065","0.0002","13.1797","0.0002","22.9727","0.0004","90","","90","","90","","2636.1","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O5 -","- C30 H40 O5 -","- C120 H160 O20 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0318","0.0307","","","0.0794","0.0806","","","","","","1.048","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570422","8.6842","0.0002","15.4286","0.0003","19.2929","0.0004","90","","90","","90","","2584.96","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O4 -","- C30 H40 O4 -","- C120 H160 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.044","0.0438","","","0.1145","0.1147","","","","","","1.045","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570423","8.733","0.0005","9.9169","0.0006","28.6719","0.0017","90","","90","","90","","2483.1","0.3","101","2","101","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0396","0.0376","","","0.0978","0.0997","","","","","","1.043","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570424","8.2056","0.0002","9.4771","0.0002","16.4429","0.0003","90","","90","","90","","1278.69","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0312","0.0302","","","0.0802","0.0813","","","","","","1.101","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570425","8.2085","0.0003","9.4732","0.0003","16.4463","0.0006","90","","90","","90","","1278.88","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0309","0.0306","","","0.0789","0.0791","","","","","","1.061","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570426","15.9708","0.0014","16.8532","0.0014","19.6348","0.0016","98.989","0.002","107.266","0.002","97.797","0.002","4891","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H138 N6 O3 P -","- C107 H138 N6 O3 P -","- C214 H276 N12 O6 P2 -","2","1","","Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H.","A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting.","Chemical science","2023","15","1","389","398","10.1039/d3sc03685e","","","0.71073","MoKα","","0.1291","0.0924","","","0.2653","0.303","","","","","","1.03","","","","has coordinates,has disorder","289396","2024-02-04","11:25:32",""
"1570427","16.3782","0.0004","16.4347","0.0006","18.8864","0.0006","111.457","0.001","112.34","0.002","97.462","0.001","4157.2","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H109 N6 O3 P -","- C89 H109 N6 O3 P -","- C178 H218 N12 O6 P2 -","2","1","","Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H.","A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting.","Chemical science","2023","15","1","389","398","10.1039/d3sc03685e","","","0.71073","MoKα","","0.1675","0.08","","","0.2243","0.2471","","","","","","1.086","","","","has coordinates,has disorder","289396","2024-02-04","11:25:32",""
"1570428","16.3882","0.0007","16.4992","0.0007","19.1849","0.0008","111.893","0.001","111.74","0.002","97.594","0.002","4245.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H115 N8 O3 P -","- C93 H115 N8 O3 P -","- C186 H230 N16 O6 P2 -","2","1","","Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H.","A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting.","Chemical science","2023","15","1","389","398","10.1039/d3sc03685e","","","0.71073","MoKα","","0.1078","0.0927","","","0.2592","0.2805","","","","","","1.031","","","","has coordinates,has disorder","289396","2024-02-04","11:25:32",""
"1570429","31.691","0.0006","6.6329","0.0001","25.7816","0.0005","90","","112.057","0.001","90","","5022.74","0.16","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 F N2 O2 -","- C32 H27 F N2 O2 -","- C256 H216 F8 N16 O16 -","8","1","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54178","CuKα","","0.0643","0.0412","","","0.0939","0.1059","","","","","","1.044","","","","has coordinates","289395","2024-02-04","11:25:18",""
"1570430","10.5292","0.0002","12.5977","0.0002","20.0573","0.0004","90","","103.635","0.001","90","","2585.49","0.08","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 F5 N2 O -","- C30 H23 F5 N2 O -","- C120 H92 F20 N8 O4 -","4","1","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54178","CuKα","","0.1236","0.0733","","","0.1918","0.2363","","","","","","1.021","","","","has coordinates,has disorder","289395","2024-02-04","11:25:18",""
"1570431","6.8195","0.0006","19.5313","0.0009","20.5319","0.0017","96.793","0.005","95.64","0.007","99.888","0.005","2655.5","0.4","200.15","","200.15","","","","","","","","","4","P 1","P 1","1","","","","- C33 H30.13 N2 O2 -","- C33 H30.1303 N2 O2 -","- C132 H120.521 N8 O8 -","4","4","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54184","CuKα","","0.2066","0.1264","","","0.3063","0.3943","","","","","","1.005","","","","has coordinates,has disorder","289395","2024-02-04","11:25:18",""
"1570470","9.5342","0.0009","6.5619","0.0004","9.7191","0.001","90","","115.851","0.012","90","","547.2","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 O4 -","- C5 H6 O4 -","- C20 H24 O16 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","0.71073","MoKα","","0.0807","0.0634","","","0.153","0.1626","","","","","","1.024","","","","has coordinates,has disorder","289650","2024-02-04","12:33:16",""
"1570471","6.6336","0.0003","10.5499","0.0006","18.8351","0.0015","90","","90","","90","","1318.15","0.14","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","0.71073","MoKα","","0.0597","0.0426","","","0.1085","0.1181","","","","","","1.025","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570472","6.6147","0.0001","8.8811","0.0002","11.0758","0.0002","90","","90","","90","","650.66","0.02","100","0.11","100","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0271","0.0254","","","0.0606","0.0613","","","","","","1.038","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570473","11.1805","0.0001","9.2464","0.0001","11.1482","0.0001","90","","105.801","0.001","90","","1108.94","0.019","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0341","0.0336","","","0.0867","0.0869","","","","","","1.104","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570474","11.7418","0.0001","34.0977","0.0004","8.4778","0.0001","90","","90","","90","","3394.24","0.06","170.01","0.1","170.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H20 O9 -","- C17 H20 O9 -","- C136 H160 O72 -","8","2","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0377","0.0366","","","0.1007","0.1018","","","","","","1.027","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570475","19.1884","0.0005","10.6212","0.0003","20.1144","0.0005","90","","107.614","0.001","90","","3907.2","0.18","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Cl N2 Pd -","- C47 H44 Cl N2 Pd -","- C188 H176 Cl4 N8 Pd4 -","4","1","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.0662","0.0596","","","0.1702","0.1758","","","","","","1.062","","","","has coordinates,has disorder","289645","2024-02-04","12:32:34",""
"1570476","15.119","0.003","15.12","0.003","24.857","0.005","90","","103.91","0.03","90","","5516","2","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Cl N2 Pd -","- C26 H35 Cl N2 Pd -","- C208 H280 Cl8 N16 Pd8 -","8","4","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.136","0.1223","","","0.3","0.3147","","","","","","1.3","","","","has coordinates","289645","2024-02-04","12:32:34",""
"1570477","10.034","0.0003","19.1514","0.0007","20.3631","0.0006","100.585","0.001","95.043","0.001","104.58","0.001","3685.4","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C81 H60 B F24 N3 Pd -","- C81 H60 B F24 N3 Pd -","- C162 H120 B2 F48 N6 Pd2 -","2","1","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.0679","0.0553","","","0.1375","0.1478","","","","","","1.05","","","","has coordinates,has disorder","289645","2024-02-04","12:32:34",""
"1570480","14.8596","0.0003","25.1992","0.0004","18.793","0.0005","90","","108.689","0.003","90","","6666","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H144 Fe3 K4 N8 O24 Sn18 -","- C72 H144 Fe3 K4 N8 O24 Sn18 -","- C144 H288 Fe6 K8 N16 O48 Sn36 -","2","0.5","","Li, Zi-Sheng; Chen, Wei-Xing; Morgan, Harry W. T.; Shu, Cong-Cong; McGrady, John E.; Sun, Zhong-Ming","Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe<sub>3</sub> core, [Fe<sub>3</sub>Sn<sub>18</sub>]<sup>4</sup>.","Chemical science","2024","15","3","1018","1026","10.1039/d3sc04709a","","x-ray","1.54184","CuKα","","0.0523","0.0428","","","0.1069","0.1116","","","","","","1.025","","","","has coordinates","289426","2024-02-04","11:33:40",""
"1570481","13.02736","0.00013","7.6261","0.00007","13.31312","0.00013","90","","97.9813","0.0009","90","","1309.82","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O4 -","- C32 H33 N O4 -","- C64 H66 N2 O8 -","2","1","","Han, Zhengyu; Zhu, Biao; Zang, Yu; Zhang, Chaoshen; Dong, Xiu-Qin; Huang, Hai; Sun, Jianwei","Primary activation of <i>para</i>-quinone methides by chiral phosphoric acid for enantioselective construction of tetraarylmethanes.","Chemical science","2024","15","2","720","725","10.1039/d3sc05014a","","x-ray","1.54184","CuKα","","0.0256","0.0247","","","0.0647","0.0652","","","","","","1.032","","","","has coordinates","289416","2024-02-04","11:31:26",""
"1570482","9.406","0.0002","11.1167","0.0002","15.5637","0.0003","75.81","0.002","72.977","0.002","66.135","0.002","1408.04","0.05","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H25 Al F6 N2 O6 S2 -","- C23 H25 Al F6 N2 O6 S2 -","- C46 H50 Al2 F12 N4 O12 S4 -","2","1","","Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav","Lewis acid catalysed polymerisation of cyclopentenone.","Chemical science","2024","15","2","639","643","10.1039/d3sc05186b","","","1.54184","CuKα","","0.0455","0.0396","","","0.1015","0.1059","","","","","","1.05","","","","has coordinates","289422","2024-02-04","11:32:23",""
"1570483","20.7709","0.0003","10.3593","0.0001","13.0575","0.0002","90","","118.364","0.002","90","","2472.31","0.07","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Al F6 N2 O6 S2 -","- C19 H17 Al F6 N2 O6 S2 -","- C76 H68 Al4 F24 N8 O24 S8 -","4","0.5","","Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav","Lewis acid catalysed polymerisation of cyclopentenone.","Chemical science","2024","15","2","639","643","10.1039/d3sc05186b","","","1.54178","CuKα","","0.0449","0.0416","","","0.12","0.1235","","","","","","1.09","","","","has coordinates,has disorder","289422","2024-02-04","11:32:23",""
"1570484","6.2994","0.0001","22.3513","0.0004","14.5043","0.0002","90","","90.524","0.001","90","","2042.12","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 Al2 Cl4 N4 -","- C41 H42 Al2 Cl4 N4 -","- C82 H84 Al4 Cl8 N8 -","2","0.5","","Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav","Lewis acid catalysed polymerisation of cyclopentenone.","Chemical science","2024","15","2","639","643","10.1039/d3sc05186b","","","1.54184","CuKα","","0.0517","0.0483","","","0.1346","0.1383","","","","","","1.071","","","","has coordinates,has disorder","289422","2024-02-04","11:32:23",""
"1570485","19.8087","0.0001","19.8087","0.0001","28.7268","0.0002","90","","90","","120","","9761.8","0.1","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H90 Fe6 In13 N12 O42 -","- C96 H90 Fe6 In13 N12 O42 -","- C288 H270 Fe18 In39 N36 O126 -","3","0.166667","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0676","0.0628","","","0.1894","0.1921","","","","","","1.117","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570486","19.6313","0.0008","22.929","0.0006","13.3713","0.0004","90","","95.854","0.003","90","","5987.4","0.3","99.99","0.1","99.99","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C68 H56 Cl2 Fe4 In13 N8 O38 -","- C68 H56 Cl2 Fe4 In13 N8 O38 -","- C136 H112 Cl4 Fe8 In26 N16 O76 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0539","0.0483","","","0.1318","0.1356","","","","","","1.05","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570487","21.2041","0.0003","25.0454","0.0003","13.8544","0.0002","90","","103.783","0.0015","90","","7145.74","0.17","179.97","0.1","179.97","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C106 H86 Fe6 In13 O52 -","- C106 H86 Fe6 In13 O52 -","- C212 H172 Fe12 In26 O104 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","Gakα","","0.0642","0.0576","","","0.1622","0.169","","","","","","1.062","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570488","32.0443","0.0007","14.9493","0.0003","28.0793","0.0007","90","","94.153","0.002","90","","13415.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H78 Fe6 In13 O48 -","- C78 H78 Fe6 In13 O48 -","- C312 H312 Fe24 In52 O192 -","4","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0611","0.0457","","","0.1321","0.1396","","","","","","1.077","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570489","16.1506","0.0001","16.1506","0.0001","65.6859","0.0003","90","","90","","120","","14838.2","0.15","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C95 H66 Cl3 Fe6 In7 O28 P -","- C95 H65.9997 Cl3 Fe6 In7 O28 P -","- C570 H395.998 Cl18 Fe36 In42 O168 P6 -","6","0.333333","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0259","0.0241","","","0.0693","0.0701","","","","","","1.062","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570490","35.1846","0.0004","35.1846","0.0004","15.853","0.0004","90","","90","","90","","19625.3","0.6","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C304 H216 Fe24 In28 N8 O116 -","- C304 H224 Fe24 In28 N8 O116 -","- C608 H448 Fe48 In56 N16 O232 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.1105","0.0644","","","0.1758","0.2001","","","","","","1.013","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570491","25.3175","0.0003","25.3175","0.0003","29.8382","0.0004","90","","90","","120","","16563.2","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C88 H84 Fe6 In7 N6 O28 -","- C88 H83.3637 Fe6 In7 N6 O28 -","- C528 H500.182 Fe36 In42 N36 O168 -","6","0.333333","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0472","0.045","","","0.1279","0.1297","","","","","","1.044","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570492","27.37206","0.00019","15.00755","0.00012","31.8968","0.0003","90","","94.0511","0.0007","90","","13070.1","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C92 H96 Fe6 In13 N6 O46 -","- C92 H96 Fe6 In13 N6 O46 -","- C368 H384 Fe24 In52 N24 O184 -","4","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0685","0.0641","","","0.1829","0.1872","","","","","","1.082","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570493","15.4037","0.0002","20.7536","0.0003","25.173","0.0003","90","","93.511","0.001","90","","8032.26","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H84 Fe12 In12 O60 -","- C120 H84 Fe12 In12 O60 -","- C240 H168 Fe24 In24 O120 -","2","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","0.71073","GaKα","","0.2289","0.212","","","0.5627","0.5776","","","","","","2.714","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570494","18.7431","0.0005","18.7639","0.0005","19.9485","0.0006","65.084","0.003","76.898","0.002","60.275","0.003","5524.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H128 Cl11 Cu24 Gd6 N12 O138 -","- C48 H128 Cl11 Cu24 Gd6 N12 O138 -","- C48 H128 Cl11 Cu24 Gd6 N12 O138 -","1","0.5","","Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation.","Chemical science","2024","15","2","511","515","10.1039/d3sc05849b","","x-ray","1.54184","CuKα","","0.0596","0.0542","","","0.1395","0.1447","","","","","","1.039","","","","has coordinates,has disorder","289421","2024-02-04","11:32:16",""
"1570495","20.0889","0.0006","20.0889","0.0006","57.4977","0.0009","90","","90","","120","","20095.3","0.9","100.01","0.1","100.01","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C73 H156 Cl16 Cu24 Gd6 N36 O151 -","- C73 H156 Cl16 Cu24 Gd6 N36 O151 -","- C219 H468 Cl48 Cu72 Gd18 N108 O453 -","3","0.166667","","Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation.","Chemical science","2024","15","2","511","515","10.1039/d3sc05849b","","x-ray","1.54184","CuKα","","0.1122","0.092","","","0.2772","0.3022","","","","","","1.083","","","","has coordinates,has disorder","289421","2024-02-04","11:32:16",""
"1570496","6.2918","0.0001","7.9579","0.0001","37.036","0.0005","90","","90","","90","","1854.37","0.05","99.9","0.3","99.9","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C76 H84 N4 O16 S8 -","4","1","","Lipilin, Dmitry L.; Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Dilman, Alexander D.","Direct conversion of carboxylic acids to free thiols <i>via</i> radical relay acridine photocatalysis enabled by N-O bond cleavage.","Chemical science","2024","15","2","644","650","10.1039/d3sc05513b","","x-ray","1.54184","CuKα","","0.0481","0.0463","","","0.1209","0.1219","","","","","","1.086","","","","has coordinates","289417","2024-02-04","11:31:32",""
"1570497","21.7245","0.0004","8.151","0.0001","27.6097","0.0005","90","","108.074","0.002","90","","4647.79","0.14","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl2 N3 O3 Pt -","- C24 H21 Cl2 N3 O3 Pt -","- C192 H168 Cl16 N24 O24 Pt8 -","8","2","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","1.54184","CuKα","","0.0666","0.0658","","","0.1669","0.1677","","","","","","1.047","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570498","12.139","0.002","6.8997","0.0013","22.664","0.004","90","","104.348","0.007","90","","1839","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 F2 N3 O2 Pt -","- C22 H15 F2 N3 O2 Pt -","- C88 H60 F8 N12 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.4119","Synchrotron","","0.017","0.0168","","","0.0457","0.0459","","","","","","1.063","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570499","12.577","0.013","8.202","0.005","20.223","0.012","90","","103.1","0.02","90","","2032","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O2 Pt S -","- C24 H17 N3 O2 Pt S -","- C96 H68 N12 O8 Pt4 S4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.4118","Synchrotron","","0.0254","0.0244","","","0.0653","0.0661","","","","","","1.047","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570500","8.5147","0.0002","16.3288","0.0004","28.9929","0.0008","90","","97.377","0.002","90","","3997.66","0.18","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Cl N4 O3 Pt -","- C42 H61 Cl N4 O3 Pt -","- C168 H244 Cl4 N16 O12 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.094","0.0805","","","0.1908","0.202","","","","","","1.075","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570501","29.7626","0.0016","5.095","0.0003","25.3909","0.0013","90","","98.831","0.007","90","","3804.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N3 O2.5 Pt -","- C24 H18 N3 O2.5 Pt -","- C192 H144 N24 O20 Pt8 -","8","2","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.4119","Synchrotron","","0.02","0.0198","","","0.0517","0.0519","","","","","","1.114","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570502","20.783","0.005","23.203","0.006","22.652","0.005","90","","90.778","0.004","90","","10922","5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C114 H122 Cl7 N13 O12 Pt4 -","- C114 H122 Cl7 N13 O12 Pt4 -","- C456 H488 Cl28 N52 O48 Pt16 -","4","0.5","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0869","0.0739","","","0.1995","0.2118","","","","","","1.075","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570503","28.1013","0.0006","8.2546","0.0002","17.2008","0.0004","90","","90","","90","","3989.98","0.16","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H55 Cl3 N4 O2 Pt -","- C41 H55 Cl3 N4 O2 Pt -","- C164 H220 Cl12 N16 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81106","Synchrotron","","0.049","0.0466","","","0.106","0.1074","","","","","","1.144","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570504","21.437","0.003","8.3346","0.0012","22.655","0.004","90","","90","","90","","4047.7","1.1","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H61 Cl N4 O2 Pt -","- C42 H61 Cl N4 O2 Pt -","- C168 H244 Cl4 N16 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.71073","MoKα","","0.059","0.0528","","","0.1375","0.142","","","","","","1.004","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570505","16.8798","0.0014","16.7488","0.0014","29.324","0.003","90","","98.644","0.002","90","","8196.2","1.3","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39.67 H54.34 Cl2.67 F2 N4 O2 Pt -","- C39.6715 H54.343 Cl2.6715 F2 N4 O2 Pt -","- C317.372 H434.744 Cl21.372 F16 N32 O16 Pt8 -","8","4","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0653","0.0593","","","0.1523","0.1592","","","","","","1.065","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570506","17.716","0.008","17.001","0.007","27.332","0.012","90","","90","","90","","8232","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H57 Cl3 N4 O2 Pt -","- C42 H57 Cl3 N4 O2 Pt -","- C336 H456 Cl24 N32 O16 Pt8 -","8","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.71073","MoKα","","0.125","0.0964","","","0.2422","0.2688","","","","","","1.026","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570507","13.5379","0.0002","18.5737","0.0003","19.8643","0.0003","62.469","0.002","72.905","0.001","86.326","0.001","4218.34","0.14","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H70 Au Cl9 N10 O4 Pt2 -","- C96 H70 Au Cl9 N10 O4 Pt2 -","- C192 H140 Au2 Cl18 N20 O8 Pt4 -","2","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","1.54184","CuKα","","0.0452","0.0385","","","0.1099","0.1136","","","","","","1.006","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570508","47.3103","0.0011","8.5434","0.0002","21.0894","0.0005","90","","96.468","0.002","90","","8469.9","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42.95 H60.9 Cl1.95 F2 N4 O2 Pt -","- C42.95 H60.9 Cl1.95 F2 N4 O2 Pt -","- C343.6 H487.2 Cl15.6 F16 N32 O16 Pt8 -","8","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0521","0.0505","","","0.1285","0.1296","","","","","","1.117","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570509","22.024","0.002","22.024","0.002","21.509","0.002","90","","90","","90","","10433.1","1.7","90","2","90","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C112 H116 Cl13 N13 O12 Pt4 -","- C108 H112 Cl N13 O12 Pt4 -","- C432 H448 Cl4 N52 O48 Pt16 -","4","0.25","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.136","0.1029","","","0.2296","0.2525","","","","","","1.173","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570510","15.447","0.002","5.8857","0.0006","29.629","0.004","90","","91.258","0.005","90","","2693.1","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","S5","S5","","- C60 H46 N4 -","- C60 H46 N4 -","- C120 H92 N8 -","2","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","x-ray","0.71073","MoKα","","0.1365","0.0714","","","0.1903","0.235","","","","","","1.011","","","","has coordinates","289418","2024-02-04","11:31:45",""
"1570511","13.107","0.0007","17.0258","0.001","25.9476","0.0013","75.072","0.005","85.004","0.004","77.546","0.005","5460.3","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","M1_CB[7]","M1_CB[7]","","- C148 H142 I4 N60 O28 -","- C148 H142 I4 N60 O28 -","- C148 H142 I4 N60 O28 -","1","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","","1.54184","CuKα","","0.2256","0.1841","","","0.3377","0.3531","","","","","","1.045","","","","has coordinates","289418","2024-02-04","11:31:46",""
"1570512","18.6227","0.0004","18.6227","0.0004","90.614","0.003","90","","90","","90","","31425.4","1.4","220","2","220","2","","","","","","","","5","P -4 2 c","P -4 2c","112","M1_CB[8]","M1_CB[8]","","- C160 H150 I4 N68 O32 -","- C160 H150 I3.999 N68 O32 -","- C640 H600 I15.996 N272 O128 -","4","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","x-ray","0.71073","MoKα","","0.1406","0.088","","","0.2464","0.2812","","","","","","1.049","","","","has coordinates,has disorder","289418","2024-02-04","11:31:46",""
"1570520","9.3561","0.0001","12.3477","0.0002","18.1889","0.0003","90","","90","","90","","2101.3","0.05","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl6 In N3 O -","- C10 H28 Cl6 In N3 O -","- C40 H112 Cl24 In4 N12 O4 -","4","1","","Li, Dong-Yang; Kang, Huai-Yuan; Liu, Yu-Hang; Zhang, Jie; Yue, Cheng-Yang; Yan, Dongpeng; Lei, Xiao-Wu","A 0D hybrid lead-free halide with near-unity photoluminescence quantum yield toward multifunctional optoelectronic applications.","Chemical science","2024","15","3","953","963","10.1039/d3sc05245a","","","0.71073","MoKα","","0.0276","0.0237","","","0.0543","0.0558","","","","","","1.0168","","","","has coordinates","289428","2024-02-04","11:34:07",""
"1570521","35.662","0.002","8.8757","0.0006","15.3809","0.0009","90","","90","","90","","4868.4","0.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H25 F6 Fe N3 O7 S2 -","- C13 H25 F6 Fe N3 O7 S2 -","- C104 H200 F48 Fe8 N24 O56 S16 -","8","1","","Devi, Tarali; Dutta, Kuheli; Deutscher, Jennifer; Mebs, Stefan; Kuhlmann, Uwe; Haumann, Michael; Cula, Beatrice; Dau, Holger; Hildebrandt, Peter; Ray, Kallol","A high-spin alkylperoxo-iron(iii) complex with <i>cis</i>-anionic ligands: implications for the superoxide reductase mechanism.","Chemical science","2024","15","2","528","533","10.1039/d3sc05603a","","","0.71073","MoKα","","0.076","0.0417","","","0.0803","0.0901","","","","","","1.017","","","","has coordinates","289419","2024-02-04","11:31:54",""
"1570522","10.6428","0.0018","16.779","0.002","18.282","0.003","109.298","0.005","101.65","0.006","92.667","0.006","2995.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H72.5 N Ni O2 P -","- C76.5 H72.5 N Ni O2 P -","- C153 H145 N2 Ni2 O4 P2 -","2","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.","Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes","Polymer Chemistry","2024","15","4","292","302","10.1039/D3PY01010D","","","0.71073","MoKα","","0.0667","0.0545","","","0.14","0.1531","","","","","","1.053","","","","has coordinates","289647","2024-02-04","12:32:52",""
"1570523","11.4531","0.0019","13.695","0.002","14.417","0.003","77.01","0.006","66.853","0.005","71.002","0.005","1953.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 N Ni O P -","- C48 H46 N Ni O P -","- C96 H92 N2 Ni2 O2 P2 -","2","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.","Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes","Polymer Chemistry","2024","15","4","292","302","10.1039/D3PY01010D","","","0.71073","MoKα","","0.0722","0.0509","","","0.0825","0.0893","","","","","","1.068","","","","has coordinates,has disorder","289647","2024-02-04","12:32:52",""
"1570524","9.3181","0.0012","10.1498","0.0012","19.648","0.002","103.844","0.004","97.992","0.005","92.327","0.004","1781.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H40 N Ni O P -","- C45 H40 N Ni O P -","- C90 H80 N2 Ni2 O2 P2 -","2","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.","Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes","Polymer Chemistry","2024","15","4","292","302","10.1039/D3PY01010D","","","0.71073","MoKα","","0.0586","0.0385","","","0.0888","0.0979","","","","","","1.039","","","","has coordinates","289647","2024-02-04","12:32:52",""
"1570526","33.9435","0.0014","5.7917","0.0002","17.1106","0.0008","90","","102.733","0.002","90","","3281.1","0.2","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","1","","Hou, Jingwei; Li, Xiaohong; Yan, Kaiyu; Zhang, Lei; Loh, Teck-Peng; Xie, Peizhong","Uracil-Cu(i) catalyst: allylation of cyclopropanols with Morita-Baylis-Hillman alcohols under water-tolerant conditions.","Chemical science","2024","15","3","1143","1149","10.1039/d3sc04890j","","","0.71073","MoKα","","0.0632","0.045","","","0.0995","0.1099","","","","","","1.02","","","","has coordinates","289432","2024-02-04","11:35:10",""
"1570527","23.6994","0.0002","8.0465","0.0001","33.4683","0.0002","90","","99.912","0.001","90","","6287.04","0.1","173","2","173","2","","","","","","","synthesis as described","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H31 B F4 Mn N5 O3 -","- C30 H31 B F4 Mn N5 O3 -","- C240 H248 B8 F32 Mn8 N40 O24 -","8","1","","Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A.","Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation.","Chemical science","2024","15","4","1409","1417","10.1039/d3sc05356c","","x-ray","1.54184","CuKα","","0.0387","0.0365","","","0.1003","0.1023","","","","","","1.042","","","","has coordinates","289406","2024-02-04","11:29:51",""
"1570528","19.766","0.008","15.67","0.006","17.052","0.007","90","","95.937","0.014","90","","5253","4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 B2 Cl2 Mn N5 O3 -","- C56 H62 B2 Cl2 Mn N5 O3 -","- C224 H248 B8 Cl8 Mn4 N20 O12 -","4","1","","Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A.","Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation.","Chemical science","2024","15","4","1409","1417","10.1039/d3sc05356c","","x-ray","0.71073","MoKα","","0.0553","0.0444","","","0.1112","0.1186","","","","","","1.051","","","","has coordinates","289406","2024-02-04","11:29:52",""
"1570529","12.8509","0.0002","12.404","0.0002","21.802","0.0004","90","","90","","90","","3475.29","0.1","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 S3 Si -","- C19 H16 S3 Si -","- C152 H128 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.0401","0.0304","","","0.0714","0.0774","","","","","","1.042","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570530","7.373","0.004","8.088","0.005","14.38","0.008","94.58","0.02","99.657","0.016","114.95","0.02","755.5","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 S3 Si -","- C15 H14 S3 Si -","- C30 H28 S6 Si2 -","2","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.1095","0.0999","","","0.2545","0.2673","","","","","","1.159","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570531","14.2989","0.0003","12.2575","0.0002","12.9384","0.0002","90","","96.91","0.001","90","","2251.23","0.07","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 S3 Si -","- C27 H20 S3 Si -","- C108 H80 S12 Si4 -","4","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.0353","0.0293","","","0.0759","0.0805","","","","","","1.036","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570532","21.1138","0.0008","7.7627","0.0002","24.2285","0.0008","90","","90","","90","","3971.1","0.2","150","2","149.97","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 S3 Si -","- C23 H18 S3 Si -","- C184 H144 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.059","0.045","","","0.1133","0.1254","","","","","","1.038","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570533","6.00483","0.00006","7.13118","0.0001","37.8376","0.0004","90","","91.6595","0.0009","90","","1619.58","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Zhao, Yuanyuan; Li, Xinyue; Homölle, Simon L; Wang, Bin; Ackermann, Lutz","Electrochemical assembly of isoxazoles <i>via</i> a four-component domino reaction.","Chemical science","2024","15","3","1117","1122","10.1039/d3sc05946d","","x-ray","1.54184","CuKα","","0.0451","0.043","","","0.1216","0.1241","","","","","","1.04","","","","has coordinates","289430","2024-02-04","11:34:48",""
"1570534","7.6734","0.0002","11.85","0.0003","13.3321","0.0003","104.364","0.002","97.514","0.002","93.655","0.002","1158.45","0.05","100","0.13","100","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 Br Mn N2 O3 S -","- C18 H14 Br Mn N2 O3 S -","- C36 H28 Br2 Mn2 N4 O6 S2 -","2","1","","Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab","Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex.","Chemical science","2024","15","3","1098","1105","10.1039/d3sc05523j","","x-ray","1.54184","CuKα","","0.0426","0.0398","","","0.1099","0.1128","","","","","","1.065","","","","has coordinates","289433","2024-02-04","11:35:25",""
"1570535","13.2068","0.0004","15.5782","0.0005","9.4496","0.0003","90","","98.364","0.003","90","","1923.47","0.11","106","9","106","9","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Manganesepentacarbonylbromidequinolinethiophene","","- C19 H16 Br Mn N2 O3 S -","- C19 H16 Br Mn N2 O3 S -","- C76 H64 Br4 Mn4 N8 O12 S4 -","4","1","","Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab","Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex.","Chemical science","2024","15","3","1098","1105","10.1039/d3sc05523j","","x-ray","0.71073","MoKα","","0.0586","0.0504","","","0.1353","0.1398","","","","","","1.051","","","","has coordinates","289433","2024-02-04","11:35:26",""
"1570536","6.0499","0.0006","10.3177","0.0009","16.6641","0.0015","101.437","0.007","92.135","0.006","101.786","0.007","994.76","0.16","271.55","","271.55","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1085","0.072","","","0.1685","0.1885","","","","","","1.1","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570537","6.0419","0.0006","10.3191","0.0011","16.7479","0.0018","101.248","0.007","92.177","0.006","101.546","0.007","1000.17","0.19","288.35","","288.35","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1169","0.0745","","","0.1729","0.195","","","","","","1.086","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570538","6.0399","0.0007","10.3202","0.0011","16.7772","0.0018","101.178","0.007","92.181","0.006","101.469","0.007","1002.25","0.19","296.75","","296.75","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1222","0.0797","","","0.182","0.2019","","","","","","1.149","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570539","6.0394","0.0008","10.3207","0.0013","16.801","0.002","101.124","0.007","92.18","0.006","101.408","0.007","1004.1","0.2","305.15","","305.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1284","0.0802","","","0.1901","0.2133","","","","","","1.12","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570540","6.0405","0.0008","10.323","0.0013","16.826","0.002","101.079","0.007","92.174","0.006","101.364","0.007","1006.3","0.2","313.55","","313.55","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1342","0.0823","","","0.1982","0.2249","","","","","","1.094","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570541","6.0445","0.0009","10.33","0.0014","16.853","0.002","101.035","0.007","92.153","0.006","101.338","0.007","1009.6","0.2","321.95","","321.95","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1424","0.0861","","","0.2163","0.2458","","","","","","1.094","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570542","6.0455","0.0006","10.3195","0.001","16.7114","0.0017","101.333","0.007","92.155","0.006","101.65","0.007","997.93","0.18","279.95","","279.95","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1131","0.0738","","","0.1741","0.1973","","","","","","1.107","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570543","6.0467","0.001","10.3324","0.0017","16.871","0.003","101","0.007","92.143","0.006","101.307","0.007","1011.5","0.3","330.35","","330.35","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1427","0.0865","","","0.2088","0.2395","","","","","","1.08","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570544","9.6712","0.0002","10.1319","0.0002","25.4616","0.0004","90","","96.565","0.002","90","","2478.56","0.08","123.15","","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 2-((diphenylmethylene)amino)-3-(1-methylcyclohexyl)-2-(p-tolyl)propanoate","","- C31 H35 N O2 -","- C31 H35 N O2 -","- C124 H140 N4 O8 -","4","1","","Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi","Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.","Chemical science","2024","15","3","1068","1076","10.1039/d3sc06090j","","x-ray","1.54184","CuKα","","0.0433","0.0406","","","0.106","0.1086","","","","","","1.046","","","","has coordinates","289427","2024-02-04","11:33:53",""
"1570545","9.0767","0.0001","10.2335","0.0002","25.6684","0.0003","90","","96.542","0.001","90","","2368.72","0.06","123.15","","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 2-((diphenylmethylene)amino)-4,4-dimethyl-2-(p-tolyl)pentanoate","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C112 H124 N4 O8 -","4","1","","Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi","Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.","Chemical science","2024","15","3","1068","1076","10.1039/d3sc06090j","","x-ray","1.54184","CuKα","","0.0472","0.0413","","","0.1051","0.1107","","","","","","1.056","","","","has coordinates,has disorder","289427","2024-02-04","11:33:53",""
"1570546","10.3382","0.0002","15.2358","0.0002","17.3918","0.0002","107.109","0.001","95.894","0.001","102.639","0.001","2513.4","0.07","123.15","","123.15","","","","","","","","","3","P -1","-P 1","2","","N-(2-(1-methylcyclohexyl)-1,1-di(pyridin-2-yl)ethyl)-1,1-diphenylmethanimine","","- C32 H33 N3 -","- C32 H33 N3 -","- C128 H132 N12 -","4","2","","Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi","Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.","Chemical science","2024","15","3","1068","1076","10.1039/d3sc06090j","","x-ray","1.54184","CuKα","","0.0477","0.0402","","","0.1011","0.1058","","","","","","1.038","","","","has coordinates","289427","2024-02-04","11:33:53",""
"1570547","10.232","0.003","10.735","0.004","16.557","0.008","85.248","0.014","72.999","0.017","74.424","0.014","1675.3","1.1","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cl Cu N3 O4 S2 -","- C36 H26 Cl Cu N3 O4 S2 -","- C72 H52 Cl2 Cu2 N6 O8 S4 -","2","1","","Mandal, Mukunda; Buss, Joshua A.; Chen, Si-Jie; Cramer, Christopher J.; Stahl, Shannon S.","Mechanistic insights into radical formation and functionalization in copper/<i>N</i>-fluorobenzenesulfonimide radical-relay reactions.","Chemical science","2024","15","4","1364","1373","10.1039/d3sc03597b","","x-ray","0.71073","MoKα","K-L~3~","0.06","0.0397","","","0.0942","0.1009","","","","","","1.049","","","","has coordinates","289409","2024-02-04","11:30:21",""
"1570548","17.3928","0.0006","17.3928","0.0006","6.7688","0.0003","90","","90","","90","","2047.63","0.13","100","2","100","2","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H72 Cl2 N7 O14 Yb -","- C28 H72 Cl2 N7 O14 Yb -","- C56 H144 Cl4 N14 O28 Yb2 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0213","0.015","","","0.0328","0.0344","","","","","","1.134","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570549","17.4527","0.0009","17.4527","0.0009","6.7995","0.0004","90","","90","","90","","2071.11","0.19","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C3.11 H6.72 Cl0.22 Dy0.11 N0.78 O1.56 -","- C3.11111 H7.16667 Cl0.222222 Dy0.111111 N0.777778 O1.55556 -","- C56 H129 Cl4 Dy2 N14 O28 -","18","2.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0188","0.0169","","","0.0403","0.0414","","","","","","1.116","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570550","17.4345","0.0006","17.4345","0.0006","6.7946","0.0003","90","","90","","90","","2065.3","0.14","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H67 Cl2 N7 O14 Y -","- C28 H67 Cl2 N7 O14 Y -","- C56 H134 Cl4 N14 O28 Y2 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0529","0.0459","","","0.1177","0.1221","","","","","","1.038","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570551","17.3929","0.0006","17.3929","0.0006","6.7672","0.0004","90","","90","","90","","2047.17","0.16","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H30.5 Cl N3.5 O7 Tm0.5 -","- C14 H30.5 Cl N3.5 O7 Tm0.5 -","- C56 H122 Cl4 N14 O28 Tm2 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0435","0.0255","","","0.0518","0.0561","","","","","","1.062","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570552","17.4237","0.0009","17.4237","0.0009","6.7843","0.0005","90","","90","","90","","2059.6","0.2","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H0.5 Cl2 Er N7 O14 -","- C28 H63 Cl2 Er N7 O14 -","- C56 H126 Cl4 Er2 N14 O28 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0264","0.0178","","","0.0365","0.0386","","","","","","1.098","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570553","17.4077","0.0007","17.4077","0.0007","6.773","0.0004","90","","90","","90","","2052.41","0.17","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H35.5 Cl Ho0.5 N3.5 O7 -","- C14 H33.5 Cl Ho0.5 N3.5 O7 -","- C56 H134 Cl4 Ho2 N14 O28 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0354","0.022","","","0.0458","0.049","","","","","","1.093","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570554","17.4148","0.0006","17.4148","0.0006","6.7819","0.0004","90","","90","","90","","2056.78","0.16","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H34.5 Cl N3.5 O7 Tb0.5 -","- C14 H34.5 Cl N3.5 O7 Tb0.5 -","- C56 H138 Cl4 N14 O28 Tb2 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0294","0.0195","","","0.0414","0.0439","","","","","","1.119","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570555","23.4819","0.0013","23.4819","0.0013","33.2671","0.0009","90","","90","","90","","18343.5","1.5","123","","123","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C70 H60 N2 O6 P2 Pt -","- C70 H60 N2 O6 P2 Pt -","- C560 H480 N16 O48 P16 Pt8 -","8","1","","Horiuchi, Takashi; Makino, Soya; Sano, Natsuhiro; Sogawa, Hiromitsu; Sanda, Fumio","Synthesis of geometry-controlled platinum-containing polymers bearing optically active bidentate phosphine ligands","Polymer Chemistry","2024","15","4","303","309","10.1039/D3PY01074K","","","0.71075","MoKα","","0.0976","0.05","","","0.1198","0.1365","","","","","","0.971","","","","has coordinates","289648","2024-02-04","12:33:01",""
"1570556","14.1876","0.0004","14.5939","0.0003","26.9748","0.0005","90","","90","","90","","5585.2","0.2","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Fe N2 O2 Zn -","- C30 H34 Fe N2 O2 Zn -","- C240 H272 Fe8 N16 O16 Zn8 -","8","1","","Perez-Jimenez, Marina; Crimmin, Mark R.","Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation.","Chemical science","2024","15","4","1424","1430","10.1039/d3sc05966a","","x-ray","1.54184","CuKα","","0.06","0.041","","","0.0905","0.104","","","","","","1.034","","","","has coordinates","289407","2024-02-04","11:30:02",""
"1570557","10.6485","0.0009","15.0229","0.001","20.9423","0.0012","89.192","0.005","89.647","0.006","84.943","0.006","3336.8","0.4","172.95","0.1","172.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H94 Fe2 N4 O3 Zn2 -","- C71 H94 Fe2 N4 O3 Zn2 -","- C142 H188 Fe4 N8 O6 Zn4 -","2","1","","Perez-Jimenez, Marina; Crimmin, Mark R.","Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation.","Chemical science","2024","15","4","1424","1430","10.1039/d3sc05966a","","x-ray","1.54184","CuKα","","0.0925","0.0541","","","0.1219","0.1452","","","","","","1.048","","","","has coordinates","289407","2024-02-04","11:30:03",""
"1570558","11.1406","0.0008","16.2422","0.0011","35.82","0.003","96.234","0.004","92.497","0.004","101.357","0.004","6303","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C185 H151 N3 -","- C185 H151 N3 -","- C370 H302 N6 -","2","1","","Ruan, Lan; Luo, Wanhua; Zhang, Haifan; Liu, Peng; Shi, Yong; An, Peng","Cycl[2,2,4]azine-embedded non-alternant nanographenes containing fused antiaromatic azepine ring.","Chemical science","2024","15","4","1511","1519","10.1039/d3sc05515a","","","1.54178","CuKα","","0.0951","0.0705","","","0.1929","0.2109","","","","","","1.073","","","","has coordinates,has disorder","289408","2024-02-04","11:30:14",""
"1570559","8.5075","0.0002","9.6128","0.0002","16.4841","0.0004","90","","90","","90","","1348.08","0.05","99.9","0.6","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N -","- C17 H18 N -","- C68 H72 N4 -","4","1","","Rago, Alexander J.; Ye, Rong; Liu, Xin; Dong, Guangbin","A four-component reaction to access 3,3-disubstituted indolines <i>via</i> the palladium-norbornene-catalyzed <i>ortho</i> amination/<i>ipso</i> conjunctive coupling.","Chemical science","2024","15","4","1318","1323","10.1039/d3sc06409c","","","1.54184","CuKα","","0.049","0.0454","","","0.1197","0.129","","","","","","1.083","","","","has coordinates,has disorder","289412","2024-02-04","11:30:49",""
"1570562","9.141","0.003","14.09","0.004","14.188","0.003","94.82","0.02","92.36","0.02","107.67","0.03","1730.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H36 Cl2 N10 Ni O S2 -","- C30 H36 Cl2 N10 Ni O S2 -","- C60 H72 Cl4 N20 Ni2 O2 S4 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.2326","0.1045","","","0.2267","0.2878","","","","","","0.967","","","","has coordinates","289425","2024-02-04","11:33:33",""
"1570563","9.5625","0.0003","13.6735","0.0004","13.8397","0.0005","73.376","0.003","77.366","0.003","86.693","0.003","1691.94","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Cl Cu N10 O5 S2 -","- C30 H35 Cl Cu N10 O5 S2 -","- C60 H70 Cl2 Cu2 N20 O10 S4 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0467","0.0406","","","0.1087","0.1148","","","","","","1.026","","","","has coordinates,has disorder","289425","2024-02-04","11:33:33",""
"1570564","10.7315","0.001","10.8268","0.0012","14.7436","0.0013","109.844","0.009","91.411","0.007","103.463","0.009","1556.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N10 S2 Zn -","- C30 H32 N10 S2 Zn -","- C60 H64 N20 S4 Zn2 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0408","0.0362","","","0.0938","0.0969","","","","","","1.054","","","","has coordinates,has disorder","289425","2024-02-04","11:33:33",""
"1570565","8.7832","0.0003","11.7181","0.0003","17.1171","0.0004","92.486","0.002","102.138","0.002","94.766","0.002","1713.04","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ga(Dp4e4mT)2","","- C30 H34 Ga N11 O4 S2 -","- C30 H32 Ga N11.004 O4.013 S2 -","- C60 H64 Ga2 N22.008 O8.026 S4 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0497","0.0432","","","0.1204","0.1265","","","","","","1.042","","","","has coordinates,has disorder","289425","2024-02-04","11:33:33",""
"1570566","22.7746","0.0012","14.2349","0.0007","23.3316","0.0009","90","","91.509","0.004","90","","7561.3","0.6","190","2","190","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl Co N10 O2 S2 -","- C31 H38 Cl Co N10 O2 S2 -","- C248 H304 Cl8 Co8 N80 O16 S16 -","8","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0934","0.0792","","","0.2323","0.2456","","","","","","1.042","","","","has coordinates","289425","2024-02-04","11:33:33",""
"1570567","10.0507","0.0003","10.5184","0.0003","17.5993","0.0004","73.219","0.002","81.923","0.002","69.997","0.003","1672.06","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl N5 Pd S -","- C15 H16 Cl N5 Pd S -","- C60 H64 Cl4 N20 Pd4 S4 -","4","2","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0343","0.0307","","","0.0803","0.083","","","","","","1.059","","","","has coordinates","289425","2024-02-04","11:33:33",""
"1570572","18.1753","0.0003","22.3961","0.0003","29.9843","0.0006","90","","90","","90","","12205.3","0.4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C59 H104 K La Si4 -","- C55.5 H100 K La Si4 -","- C444 H800 K8 La8 Si32 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0509","0.0428","","","0.1151","0.1184","","","","","","1.039","","","","has coordinates,has disorder","289405","2024-02-04","11:29:31",""
"1570573","18.1753","0.0003","22.3961","0.0003","29.9843","0.0006","90","","90","","90","","12205.3","0.4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55.5 H100 Ce K Si4 -","- C55.5 H100 Ce K Si4 -","- C444 H800 Ce8 K8 Si32 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0338","0.0287","","","0.0665","0.0685","","","","","","1.026","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570574","14.8785","0.0008","17.3956","0.0007","21.4878","0.0012","90","","97.196","0.004","90","","5517.7","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K Nd Si4 -","- C52 H96 K Nd Si4 -","- C208 H384 K4 Nd4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.1061","0.0555","","","0.1191","0.1452","","","","","","1.027","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570575","14.9492","0.0004","17.4712","0.0005","21.5754","0.0005","90","","97.134","0.002","90","","5591.4","0.3","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K La Si4 -","- C52 H96 K La Si4 -","- C208 H384 K4 La4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.075","0.0433","","","0.0967","0.1079","","","","","","1.019","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570576","14.9574","0.0004","17.5114","0.0004","21.5769","0.0005","90","","97.154","0.002","90","","5607.5","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K Pr Si4 -","- C52 H96 K Pr Si4 -","- C208 H384 K4 Pr4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0743","0.0393","","","0.0684","0.0792","","","","","","1.065","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570577","16.0025","0.0003","32.4257","0.0007","46.6302","0.0007","90","","90","","90","","24196.1","0.8","150","","150","","","","","","","","","5","F 2 d d","F -2d 2","43","","","","- C59 H104 Er K Si4 -","- C59 H104 Er K Si4 -","- C944 H1664 Er16 K16 Si64 -","16","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0282","0.0239","","","0.0585","0.0592","","","","","","1.003","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570578","21.4286","0.0005","15.456","0.0002","18.8223","0.0004","90","","102.374","0.002","90","","6089.1","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H101 Ce K O0.5 Si4 -","- C54 H101 Ce K O0.5 Si4 -","- C216 H404 Ce4 K4 O2 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0493","0.0318","","","0.0806","0.0894","","","","","","1.04","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570579","14.843","0.002","17.3279","0.0017","21.557","0.002","90","","97.33","0.01","90","","5499.1","1.1","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K Lu Si4 -","- C52 H96 K Lu Si4 -","- C208 H384 K4 Lu4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0682","0.0327","","","0.0555","0.0602","","","","","","0.885","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570580","14.8618","0.0009","17.3571","0.0008","21.5304","0.0017","90","","97.39","0.006","90","","5507.8","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H95 Er K Si4 -","- C52 H95 Er K Si4 -","- C208 H380 Er4 K4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0305","0.0226","","","0.0587","0.0604","","","","","","0.954","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570581","13.8875","0.0003","33.4663","0.0009","26.021","0.0006","90","","92.638","0.002","90","","12080.8","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C118 H208 K2 Pr2 Si8 -","- C118 H208 K2 Pr2 Si8 -","- C472 H832 K8 Pr8 Si32 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.1331","0.0695","","","0.1323","0.1549","","","","","","1.063","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570585","5.8943","0.0005","13.4561","0.0011","27.524","0.002","90","","90","","90","","2183","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O3 -","- C26 H21 Cl N2 O3 -","- C104 H84 Cl4 N8 O12 -","4","1","","Formen, Jeffrey S. S. K.; Hassan, Diandra S.; Wolf, Christian","Chemometric sensing of stereoisomeric compound mixtures with a redox-responsive optical probe.","Chemical science","2024","15","4","1498","1504","10.1039/d3sc05706b","","","0.71073","MoKα","","0.0308","0.0262","","","0.0597","0.0617","","","","","","1.057","","","","has coordinates","289404","2024-02-04","11:27:50",""
"1570586","14.879","0.006","8.126","0.003","19.752","0.007","90","","99.543","0.012","90","","2355.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O3 S Se -","- C26 H25 N O3 S Se -","- C104 H100 N4 O12 S4 Se4 -","4","1","","Das, Kousik; Pedada, Abhilash; Singha, Tushar; Hari, Durga Prasad","Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and - lactams.","Chemical science","2024","15","9","3182","3191","10.1039/d3sc05700c","","","0.71076","MoKα","","0.1028","0.0759","","","0.156","0.1685","","","","","","1.122","","","","has coordinates","290137","2024-03-04","20:05:20",""
"1570587","6.1782","0.0002","11.4363","0.0004","31.3637","0.0009","90","","90","","90","","2216.03","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C104 H96 Cl4 N4 O12 S4 -","4","1","","Das, Kousik; Pedada, Abhilash; Singha, Tushar; Hari, Durga Prasad","Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and - lactams.","Chemical science","2024","15","9","3182","3191","10.1039/d3sc05700c","","","0.71073","MoKα","","0.055","0.0525","","","0.1143","0.1157","","","","","","1.102","","","","has coordinates","290137","2024-03-04","20:05:20",""
"1570588","25.3","0.005","14.98","0.003","39.47","0.008","90","","95.44","0.03","90","","14892","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15",";NdSc2N@Ih(7)-C80/NiOEP/Benzene;","","","- C128 H56 N5 Nd Ni Sc2 -","- C128 H56 N5 Nd Ni Sc2 -","- C1024 H448 N40 Nd8 Ni8 Sc16 -","8","1","","Yang, Wei; Rosenkranz, Marco; Velkos, Georgios; Ziegs, Frank; Dubrovin, Vasilii; Schiemenz, Sandra; Spree, Lukas; de Souza Barbosa, Matheus Felipe; Guillemard, Charles; Valvidares, Manuel; Büchner, Bernd; Liu, Fupin; Avdoshenko, Stanislav M.; Popov, Alexey A.","Covalency <i>versus</i> magnetic axiality in Nd molecular magnets: Nd-photoluminescence, strong ligand-field, and unprecedented nephelauxetic effect in fullerenes NdM<sub>2</sub>N@C<sub>80</sub> (M = Sc, Lu, Y).","Chemical science","2024","15","6","2141","2157","10.1039/d3sc05146c","","","0.82656","synchrotron","","0.0466","0.0457","","","0.1325","0.136","","","","","","1.035","","","","has coordinates","290124","2024-03-04","20:02:28",""
"1570589","8.4013","0.0003","12.0178","0.0004","11.5178","0.0005","90","","91.359","0.004","90","","1162.57","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Cesium tetraperoxovanadate","Cesium tetraperoxovanadate trihydrate","","- Cs3 O11 V -","- Cs3 O11 V -","- Cs12 O44 V4 -","4","1","","Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May","Implementing vanadium peroxides as direct air carbon capture materials.","Chemical science","2024","15","5","1700","1713","10.1039/d3sc05381d","","x-ray","0.71073","MoKα","","0.0419","0.032","","","0.0816","0.0853","","","","","","1.018","","","","has coordinates","289399","2024-02-04","11:27:10",""
"1570590","6.8447","0.0002","23.2894","0.0005","7.8276","0.0002","90","","112.399","0.003","90","","1153.65","0.06","229.99","0.1","230.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Rubidium tetraperoxovanadate","Rubidium tetraperoxovanadate dihydroperoxo hydrate","","- O13 Rb3 V -","- O13 Rb3 V -","- O52 Rb12 V4 -","4","1","","Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May","Implementing vanadium peroxides as direct air carbon capture materials.","Chemical science","2024","15","5","1700","1713","10.1039/d3sc05381d","","","1.54184","CuKα","","0.0583","0.0514","","","0.1382","0.1638","","","","","","1.117","","","","has coordinates","289399","2024-02-04","11:27:10",""
"1570591","10.3503","0.0002","8.7745","0.0002","14.9164","0.0003","90","","104.498","0.002","90","","1311.55","0.05","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N3 O4 -","- C31 H33 N3 O4 -","- C62 H66 N6 O8 -","2","1","","Waly, Sara M. A.; Benniston, Andrew C.; Harriman, Anthony","Deducing the conformational space for an octa-proline helix.","Chemical science","2024","15","5","1657","1671","10.1039/d3sc05287g","","x-ray","1.54184","CuKα","","0.0345","0.0313","","","0.0775","0.0791","","","","","","1.067","","","","has coordinates","289401","2024-02-04","11:27:23",""
"1570592","8.6715","0.0001","9.651","0.0001","15.2097","0.0002","90","","90","","90","","1272.88","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 -","- C17 H14 F2 -","- C68 H56 F8 -","4","1","","Chakrabarti, Kaushik; Wade Wolfe, Michael M.; Guo, Shuo; Tucker, Joseph W.; Lee, Jisun; Szymczak, Nathaniel K.","A metal-free strategy to construct fluoroalkyl-olefin linkages using fluoroalkanes.","Chemical science","2024","15","5","1752","1757","10.1039/d3sc05616c","","x-ray","1.54184","CuKα","","0.0396","0.0386","","","0.1027","0.1038","","","","","","1.081","","","","has coordinates","289402","2024-02-04","11:27:30",""
"1570597","14.8784","0.0008","17.2401","0.0009","21.4396","0.0011","90.821","0.001","90.355","0.0009","98.1446","0.0009","5443.2","0.5","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","[(TMTACN)Fe(II)-(OH)-Mn(III)poat]OTf","","- C52 H64 F3 Fe Mn N7 O7 P3 S -","- C52 H64 F3 Fe Mn N7 O7 P3 S -","- C208 H256 F12 Fe4 Mn4 N28 O28 P12 S4 -","4","2","","Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S.","Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites.","Chemical science","2024","15","8","2817","2826","10.1039/d3sc04900k","","","0.71073","MoKα","","0.0881","0.0474","","","0.0855","0.0978","","","","","","1.001","","","","has coordinates,has disorder","290113","2024-03-04","19:58:52",""
"1570598","14.5521","0.0014","15.0662","0.0015","16.7358","0.0016","70.9679","0.0015","65.6681","0.0015","82.915","0.0016","3160.3","0.5","133","2","133","2","","","","","","","","10","P -1","-P 1","2","","[(TMTACN)Fe(III)-(O)-Mn(III)poat]OTf","","- C53.5 H66 Cl3 F3 Fe Mn N7 O7 P3 S -","- C53.5 H66 Cl3 F3 Fe Mn N7 O7 P3 S -","- C107 H132 Cl6 F6 Fe2 Mn2 N14 O14 P6 S2 -","2","1","","Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S.","Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites.","Chemical science","2024","15","8","2817","2826","10.1039/d3sc04900k","","","0.71073","MoKα","","0.0967","0.0731","","","0.1859","0.2047","","","","","","1.046","","","","has coordinates,has disorder","290113","2024-03-04","19:58:52",""
"1570599","16.7414","0.0009","14.8414","0.0008","26.8159","0.0015","90","","92.1641","0.001","90","","6658.1","0.6","93","2","93","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","[(TMTACN)Fe(III)-(O)-Mn(III)poat](OTf)2","","- C54 H65 Cl3 F6 Fe Mn N7 O10 P3 S2 -","- C54 H65 Cl3 F6 Fe Mn N7 O10 P3 S2 -","- C216 H260 Cl12 F24 Fe4 Mn4 N28 O40 P12 S8 -","4","1","","Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S.","Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites.","Chemical science","2024","15","8","2817","2826","10.1039/d3sc04900k","","","0.71073","MoKα","","0.0459","0.0344","","","0.0851","0.0914","","","","","","1.034","","","","has coordinates,has disorder","290113","2024-03-04","19:58:52",""
"1570601","14.7648","0.0005","11.9997","0.0005","9.965","0.0005","90","","90","","90","","1765.53","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H21 B Cl I O2 -","- C15 H21 B Cl I O2 -","- C60 H84 B4 Cl4 I4 O8 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","0.71073","MoKα","","0.0284","0.0237","","","0.0432","0.0448","","","","","","1.055","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570602","9.2744","0.0003","11.9893","0.0004","21.6544","0.0009","98.33","0.003","102.067","0.002","103.257","0.002","2244.36","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H33 B O2 Si -","- C21 H33 B O2 Si -","- C84 H132 B4 O8 Si4 -","4","2","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0807","0.0522","","","0.1182","0.1342","","","","","","1.029","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570603","6.3808","0.0007","12.5531","0.001","26.558","0.003","90","","91.822","0.008","90","","2126.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B O4 -","- C23 H29 B O4 -","- C92 H116 B4 O16 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.1574","0.0903","","","0.2266","0.2777","","","","","","1.028","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570604","12.9545","0.0005","20.8834","0.0008","16.8105","0.0007","90","","110.893","0.002","90","","4248.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 B O2 -","- C24 H31 B O2 -","- C192 H248 B8 O16 -","8","2","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0638","0.0429","","","0.0948","0.1063","","","","","","1.028","","","","has coordinates","289403","2024-02-04","11:27:43",""
"1570605","11.8688","0.0002","17.6865","0.0003","12.6092","0.0003","90","","116.407","0.001","90","","2370.71","0.08","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 B O2 Si -","- C24 H35 B O2 Si -","- C96 H140 B4 O8 Si4 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0586","0.0432","","","0.0994","0.1091","","","","","","1.034","","","","has coordinates","289403","2024-02-04","11:27:43",""
"1570606","9.8635","0.0005","11.6173","0.0006","12.5223","0.0007","100.723","0.003","106.987","0.003","111.523","0.003","1205.26","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 B Fe O2 -","- C27 H35 B Fe O2 -","- C54 H70 B2 Fe2 O4 -","2","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0905","0.08","","","0.2113","0.2211","","","","","","1.065","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570619","13.155","0.003","12.7828","0.001","15.378","0.002","90","","100.227","0.013","90","","2544.8","0.7","298.14","","298.14","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.39 H4.36 Mn0.12 N0.36 O0.24 -","- C3.39394 H4.36364 Mn0.121212 N0.363636 O0.242424 -","- C112 H144 Mn4 N12 O8 -","33","8.25","","Mahato, Samyadeb; VandeVen, Warren; MacNeil, Gregory A.; Pulfer, Jason M.; Storr, Tim","Untangling ancillary ligand donation <i>versus</i> locus of oxidation effects on metal nitride reactivity.","Chemical science","2024","15","6","2211","2220","10.1039/d3sc05403a","","","1.54178","CuKα","","0.0439","0.0361","","","0.0933","0.0971","","","","","","1.081","","","","has coordinates","290120","2024-03-04","20:00:27",""
"1570620","26.659","0.001","26.659","0.001","10.103","0.0004","90","","90","","120","","6218.3","0.4","298","2","298","2","","","","","","","","4","P -3 1 m","-P 3 2","162","Zr-BPT","","","- C60.33 H36.33 O64.66 Zr12 -","- C60.33 H36.33 O64.66 Zr12 -","- C120.66 H72.66 O129.32 Zr24 -","2","0.166667","","Shiraishi, Kyoko; Otsubo, Kazuya; Kato, Kenichi; Sadakiyo, Masaaki","A novel threefold interpenetrated zirconium metal-organic framework exhibiting separation ability for strong acids.","Chemical science","2024","15","4","1441","1448","10.1039/d3sc04171a","powder diffraction","","0.8001","synchrotronradiation","","0.02075","","","","","","0.02075","0.04695","2.8194","","","","","","","has coordinates","289411","2024-02-04","11:30:42",""
"1570621","22.8051","0.0003","22.8051","0.0003","8.2792","0.0002","90","","90","","90","","4305.78","0.13","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C29 H18 F3 N -","- C29 H18 F3 N -","- C232 H144 F24 N8 -","8","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0997","0.0918","","","0.2877","0.2963","","","","","","1.098","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570622","10.9754","0.0002","12.115","0.0004","12.3347","0.0003","116.431","0.003","95.048","0.002","94.47","0.002","1450.31","0.08","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H39 N -","- C38 H39 N -","- C76 H78 N2 -","2","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0829","0.0723","","","0.204","0.2161","","","","","","1.066","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570623","27.4355","0.0003","7.9543","0.0001","31.2422","0.0003","90","","91.937","0.001","90","","6814.1","0.13","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C94 H90 N2 -","- C94 H90 N2 -","- C376 H360 N8 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.059","0.0548","","","0.1401","0.1435","","","","","","1.032","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570624","15.719","0.0003","8.3643","0.0001","33.8437","0.0005","90","","101.487","0.002","90","","4360.59","0.12","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 N2 -","- C64 H42 N2 -","- C256 H168 N8 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0752","0.0691","","","0.1621","0.1659","","","","","","1.134","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570625","15.0249","0.0002","11.6534","0.0001","16.3566","0.0002","90","","97.312","0.001","90","","2840.61","0.06","263","2","263","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N0.5 -","- C18 H19 N0.5 -","- C144 H152 N4 -","8","2","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0581","0.053","","","0.1437","0.15","","","","","","1.061","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570626","12.0253","0.0005","14.285","0.0008","15.2395","0.0006","63.792","0.005","67.462","0.004","77.789","0.004","2166.5","0.2","273","2","273","2","","","","","","","","2","P -1","-P 1","2","","","","- C52 H42 -","- C52 H42 -","- C104 H84 -","2","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0649","0.0539","","","0.1612","0.1699","","","","","","1.052","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570627","10.381","0.0001","14.348","0.0002","15.6103","0.0001","94.929","0.001","102.901","0.001","107.046","0.001","2138.07","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H45 Cl2 N -","- C58 H45 Cl2 N -","- C116 H90 Cl4 N2 -","2","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0439","0.0396","","","0.1069","0.1104","","","","","","1.069","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570628","12.2354","0.0004","14.2615","0.0004","20.8253","0.0006","90","","98.248","0.003","90","","3596.33","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 Cl6 S -","- C44 H26 Cl6 S -","- C176 H104 Cl24 S4 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","0.71073","MoKα","","0.0759","0.0564","","","0.1565","0.1728","","","","","","1.054","","","","has coordinates","290122","2024-03-04","20:01:30",""
"1570629","22.0314","0.0004","12.4409","0.0002","26.6247","0.0004","90","","112.159","0.002","90","","6758.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 S2 -","- C84 H92 S2 -","- C336 H368 S8 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.1079","0.0946","","","0.2904","0.3334","","","","","","1.384","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570632","10.65","0.0004","11.2963","0.0004","15.0976","0.0005","111.368","0.003","93.137","0.003","92.33","0.003","1685.35","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Cu Ge N2 -","- C39 H41 Cu Ge N2 -","- C78 H82 Cu2 Ge2 N4 -","2","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","x-ray","0.71073","MoKα","","0.0437","0.0328","","","0.0795","0.0853","","","","","","1.04","","","","has coordinates","288659","2024-01-03","23:19:29",""
"1570633","8.9616","0.0001","19.7494","0.0001","20.04","0.0002","90","","100.99","0.001","90","","3481.76","0.06","150","0.1","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 Cu Ge N2 -","- C40 H43 Cu Ge N2 -","- C160 H172 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0284","0.027","","","0.0722","0.0733","","","","","","1.082","","","","has coordinates","288659","2024-01-03","23:19:30",""
"1570634","16.2264","0.0003","10.8168","0.0003","20.4792","0.0007","90","","90","","90","","3594.46","0.17","150.01","0.1","150.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H46 Cu N3 O -","- C40 H46 Cu N3 O -","- C160 H184 Cu4 N12 O4 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0615","0.0522","","","0.1377","0.1468","","","","","","1.045","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570635","13.1905","0.0005","18.6418","0.0007","20.1369","0.001","66.024","0.004","81.401","0.003","69.363","0.004","4233.9","0.4","150.01","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H102 Cu2 Ge2 N4 S4 -","- C92 H102 Cu2 Ge2 N4 S4 -","- C184 H204 Cu4 Ge4 N8 S8 -","2","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0469","0.0383","","","0.0923","0.0978","","","","","","1.015","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570636","10.22373","0.00004","20.07164","0.00009","22.27774","0.00011","90","","98.8634","0.0004","90","","4516.96","0.04","150","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Cu Ge N3 S -","- C50 H60 Cu Ge N3 S -","- C200 H240 Cu4 Ge4 N12 S4 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0295","0.0289","","","0.074","0.0745","","","","","","1.058","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570637","12.3095","0.0002","19.8911","0.0003","18.5854","0.0004","90","","91.1959","0.0018","90","","4549.63","0.14","150","0.7","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H57 Cu Ge N2 -","- C53 H57 Cu Ge N2 -","- C212 H228 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","0.71073","MoKα","","0.095","0.0531","","","0.1142","0.129","","","","","","1.098","","","","has coordinates","288659","2024-01-03","23:19:31",""
"1570638","11.0264","0.0001","19.2655","0.0003","20.3965","0.0003","86.283","0.001","77.281","0.001","73.472","0.001","4051.84","0.1","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 Cu2 Ge2 N4 -","- C90 H102 Cu2 Ge2 N4 -","- C180 H204 Cu4 Ge4 N8 -","2","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0372","0.0348","","","0.0925","0.0943","","","","","","1.065","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570639","14.9501","0.0003","19.7103","0.0003","16.1176","0.0003","90","","105.269","0.002","90","","4581.74","0.15","150","0.7","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H57 Cu Ge N2 -","- C53 H57 Cu Ge N2 -","- C212 H228 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","0.71073","MoKα","","0.051","0.0323","","","0.0711","0.0798","","","","","","1.023","","","","has coordinates","288659","2024-01-03","23:19:31",""
"1570640","11.48162","0.00007","30.4535","0.0002","14.25277","0.00012","90","","94.8925","0.0007","90","","4965.4","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H57 Cu Ge N4 O2 -","- C59 H57 Cu Ge N4 O2 -","- C236 H228 Cu4 Ge4 N16 O8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0545","0.0512","","","0.1262","0.128","","","","","","1.163","","","","has coordinates","288659","2024-01-03","23:19:32",""
"1570641","12.0126","0.0001","17.1438","0.0001","19.7933","0.0001","90","","90","","90","","4076.26","0.05","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 Cu Ge N2 -","- C46 H55 Cu Ge N2 -","- C184 H220 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","x-ray","1.54184","CuKα","","0.0566","0.0564","","","0.1432","0.1433","","","","","","1.121","","","","has coordinates,has disorder","288659","2024-01-03","23:19:32",""
"1570642","9.0139","0.0015","14.186","0.002","8.9545","0.0014","90","","90.487","0.007","90","","1145","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O12 Ti2 -","- C20 H26 O12 Ti2 -","- C40 H52 O24 Ti4 -","2","0.5","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","1.54178","CuKα","","0.0472","0.0448","","","0.1198","0.1218","","","","","","1.092","","","","has coordinates","290128","2024-03-04","20:03:19",""
"1570643","15.114","0.004","16.444","0.005","17.284","0.005","63.041","0.009","64.513","0.013","71.596","0.009","3417.2","1.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C134 H100 O58 Ti16 -","- C134 H100 O58 Ti16 -","- C134 H100 O58 Ti16 -","1","0.5","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","1.54178","CuKα","","0.1185","0.0737","","","0.1865","0.2212","","","","","","1.05","","","","has coordinates","290128","2024-03-04","20:03:20",""
"1570644","16.79","0.003","16.977","0.003","17.003","0.003","113.206","0.007","113.379","0.006","98.474","0.007","3814.6","1.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C154 H136 O56 Ti16 -","- C154 H136 O56 Ti16 -","- C154 H136 O56 Ti16 -","1","0.5","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","1.54178","CuKα","","0.1346","0.0894","","","0.2563","0.2961","","","","","","1.039","","","","has coordinates","290128","2024-03-04","20:03:20",""
"1570645","13.7327","0.0007","14.2235","0.0007","23.4194","0.0012","87.685","0.002","89.986","0.002","66.441","0.002","4189.1","0.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H79 O29 Ti8 -","- C72 H79 O29 Ti8 -","- C144 H158 O58 Ti16 -","2","1","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","0.71073","MoKα","","0.0502","0.0414","","","0.1073","0.1147","","","","","","1.046","","","","has coordinates,has disorder","290128","2024-03-04","20:03:20",""
"1570646","9.774","0.01","14.769","0.014","18.881","0.019","95.08","0.03","95.96","0.04","92.17","0.03","2697","5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H13 F25 N4 O S2 -","- C59 H13 F25 N4 O S2 -","- C118 H26 F50 N8 O2 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.2084","0.1215","","","0.3026","0.3407","","","","","","1.086","","","","has coordinates","290123","2024-03-04","20:02:13",""
"1570647","16.9156","0.0014","17.3251","0.0016","19.0029","0.0017","70.416","0.003","65.162","0.002","76.985","0.003","4738.3","0.7","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C77 H27 Cl F25 N4 O P Pd S2 -","- C77 H27 Cl F25 N4 O P Pd S2 -","- C154 H54 Cl2 F50 N8 O2 P2 Pd2 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.0575","0.0471","","","0.144","0.1539","","","","","","1.028","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570648","12.633","0.002","16.87","0.003","18.51","0.003","113.418","0.004","96.893","0.004","108.505","0.004","3292.5","1","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H11 F25 N4 O Pd S2 -","- C59 H11 F25 N4 O Pd S2 -","- C118 H22 F50 N8 O2 Pd2 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.1102","0.0708","","","0.1827","0.2058","","","","","","0.977","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570649","17.633","0.003","18.145","0.003","19.027","0.003","104.695","0.004","103.672","0.005","112.112","0.004","5067.6","1.5","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H12 F20 N4 O Pd S2 -","- C52 H12 F20 N4 O Pd S2 -","- C208 H48 F80 N16 O4 Pd4 S8 -","4","2","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.0919","0.0685","","","0.2122","0.2321","","","","","","1.031","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570650","14.977","0.002","16.782","0.002","16.991","0.002","106.814","0.004","90.699","0.005","107.905","0.004","3866","0.8","213","2","213.15","","","","","","","","","8","P -1","-P 1","2","","","","- C87 H36 F25 N6 O P Pd2 S2 -","- C87 H36 F25 N6 O P Pd2 S2 -","- C174 H72 F50 N12 O2 P2 Pd4 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.089","0.0651","","","0.1592","0.1715","","","","","","1.0337","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570693","9.8733","0.0009","11.5417","0.001","17.0581","0.0017","90","","95.13","0.009","90","","1936.1","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 B F N O2 -","- C22 H23 B F N O2 -","- C88 H92 B4 F4 N4 O8 -","4","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","0.71073","MoKα","","0.0627","0.0475","","","0.1094","0.1198","","","","","","1.045","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570694","7.0732","0.0003","12.8154","0.0005","12.8838","0.0005","109.101","0.004","103.862","0.004","102.475","0.004","1014.75","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 B N O2 -","- C23 H26 B N O2 -","- C46 H52 B2 N2 O4 -","2","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","1.54184","CuKα","","0.0884","0.0838","","","0.2317","0.2377","","","","","","1.037","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570695","14.9832","0.0005","9.6904","0.0004","13.4858","0.0004","90","","100.376","0.003","90","","1926.03","0.12","166","20","166","20","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B N O2 -","- C20 H28 B N O2 -","- C80 H112 B4 N4 O8 -","4","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","1.54184","CuKα","","0.0795","0.0634","","","0.1697","0.1779","","","","","","1.086","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570696","10.1597","0.0002","10.2937","0.0002","11.2498","0.0003","79.933","0.002","89.723","0.002","76.12","0.002","1123.73","0.04","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 B N O2 -","- C22 H24 B N O2 -","- C44 H48 B2 N2 O4 -","2","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","1.54184","CuKα","","0.0665","0.0649","","","0.1629","0.1641","","","","","","1.065","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570697","9.6547","0.001","10.2621","0.0013","10.6861","0.0015","102.169","0.011","105.217","0.01","103.684","0.01","949.7","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 B N O2 -","- C22 H24 B N O2 -","- C44 H48 B2 N2 O4 -","2","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","0.71073","MoKα","","0.0626","0.0498","","","0.1141","0.1232","","","","","","1.076","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570698","14.9152","0.0016","9.8681","0.0009","18.7455","0.0019","90","","111.468","0.004","90","","2567.6","0.5","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H27 F2 N3 O -","- C32 H27 F2 N3 O -","- C128 H108 F8 N12 O4 -","4","1","","Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong","Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling.","Chemical science","2024","15","6","2205","2210","10.1039/d3sc05210a","","x-ray","0.71073","MoKα","","0.064","0.0503","","","0.1114","0.1184","","","","","","1.075","","","","has coordinates","290121","2024-03-04","20:00:39",""
"1570699","10.1447","0.0005","26.4984","0.0013","10.7233","0.0004","90","","106.691","0.002","90","","2761.2","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 F2 N3 O2 -","- C33 H31 F2 N3 O2 -","- C132 H124 F8 N12 O8 -","4","1","","Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong","Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling.","Chemical science","2024","15","6","2205","2210","10.1039/d3sc05210a","","x-ray","0.71073","MoKα","","0.0721","0.0477","","","0.0987","0.1112","","","","","","1.047","","","","has coordinates","290121","2024-03-04","20:00:48",""
"1570700","32.828","0.003","32.828","0.003","17.2912","0.0017","90","","90","","90","","18634","3","170","","170","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H26 N Ni O -","- C19 H26 N Ni O -","- C608 H832 N32 Ni32 O32 -","32","2","","Tian, Wanlu; Li, Chao; Tan, Chen; Chen, Min","Lewis acid-induced homo- and heterogeneous nickel catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2024","15","7","631","638","10.1039/D3PY01266B","","","0.71073","MoKα","","0.1118","0.0761","","","0.1774","0.1992","","","","","","1.015","","","","has coordinates,has disorder","290285","2024-03-04","20:46:43",""
"1570701","20.652","0.0017","4.902","0.0014","21.645","0.0014","90","","109.11","0.011","90","","2070.5","0.6","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C34 H19 B -","- C34 H19 B -","- C136 H76 B4 -","4","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.61992","synchrotron","","0.0794","0.0738","","","0.2748","0.2818","","","","","","1.164","","","","has coordinates","290114","2024-03-04","19:59:06",""
"1570702","34.63","0.0019","34.63","0.0019","4.803","0.0004","90","","90","","120","","4988.2","0.6","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C34 H19 B -","- C34 H19 B -","- C306 H171 B9 -","9","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.6199","synchrotron","","0.0523","0.0474","","","0.1249","0.1291","","","","","","1.068","","","","has coordinates","290114","2024-03-04","19:59:06",""
"1570703","26.86","0.02","14.399","0.015","16.935","0.017","90","","106.99","0.11","90","","6264","11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H64 B N3 O4 -","- C88 H64 B N3 O4 -","- C352 H256 B4 N12 O16 -","4","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.6199","synchrotron","","0.3558","0.1427","","","0.3528","0.4546","","","","","","1.179","","","","has coordinates","290114","2024-03-04","19:59:06",""
"1570724","9.5459","0.0002","19.1854","0.0005","11.5679","0.0003","90","","93.009","0.001","90","","2115.65","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Br N2 O2 S -","- C22 H23 Br N2 O2 S -","- C88 H92 Br4 N8 O8 S4 -","4","2","","Bulger, Ana S.; Nasrallah, Daniel J.; Tena Meza, Arismel; Garg, Neil K.","Enantioselective nickel-catalyzed Mizoroki-Heck cyclizations of amide electrophiles.","Chemical science","2024","15","7","2593","2600","10.1039/d3sc05797f","","","1.54178","CuKα","","0.0375","0.0329","","","0.07","0.0712","","","","","","1.04","","","","has coordinates","290130","2024-03-04","20:03:39",""
"1570745","17.1513","0.0008","13.5641","0.0007","20.7152","0.0009","90","","98.907","0.002","90","","4761.1","0.4","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H63 Ge N2 P Si -","- C55 H63 Ge N2 P Si -","- C220 H252 Ge4 N8 P4 Si4 -","4","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.0337","0.0287","","","0.0721","0.0774","","","","","","1.075","","","","has coordinates","290131","2024-03-04","20:03:52",""
"1570746","12.462","0.01","15.316","0.011","14.954","0.009","90","","97.32","0.03","90","","2831","3","100","","100","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C63 H79 N2 O2 P Si Sn -","- C63 H79 N2 O2 P Si Sn -","- C126 H158 N4 O4 P2 Si2 Sn2 -","2","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.0239","0.0204","","","0.0475","0.049","","","","","","1.035","","","","has coordinates","290131","2024-03-04","20:03:53",""
"1570747","10.922","0.005","20.846","0.011","26.946","0.013","90","","94.951","0.019","90","","6112","5","100","","100","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H79 Ge N2 O2 P Si -","- C66 H79 Ge N2 O2 P Si -","- C264 H316 Ge4 N8 O8 P4 Si4 -","4","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.069","0.0502","","","0.1129","0.1248","","","","","","1.089","","","","has coordinates,has disorder","290131","2024-03-04","20:03:53",""
"1570748","13.13","0.004","13.51","0.004","17.559","0.005","91.771","0.012","105.725","0.016","107.874","0.009","2831.2","1.5","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C59 H73 Ge N2 O P5 Si -","- C59 H73 Ge N2 O P5 Si -","- C118 H146 Ge2 N4 O2 P10 Si2 -","2","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.039","0.0322","","","0.0765","0.0814","","","","","","1.049","","","","has coordinates,has disorder","290131","2024-03-04","20:03:53",""
"1570759","19.7309","0.0002","16.8006","0.0002","24.9013","0.0002","90","","93.538","0.001","90","","8238.82","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H104 Cu4 N12 O38 -","- C120 H104 Cu4 N12 O38 -","- C240 H208 Cu8 N24 O76 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.083","0.0782","","","0.2422","0.2468","","","","","","1.048","","","","has coordinates,has disorder","290117","2024-03-04","19:59:53",""
"1570760","19.9031","0.0002","16.7668","0.0001","24.9964","0.0002","90","","94.081","0.001","90","","8320.43","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C148.66 H167.11 Cu4 N18.66 O46.56 -","- C148.668 H167.12 Cu4 N18.66 O46.56 -","- C297.336 H334.24 Cu8 N37.32 O93.12 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.1073","0.0995","","","0.3353","0.347","","","","","","1.593","","","","has coordinates,has disorder","290117","2024-03-04","19:59:54",""
"1570761","19.9329","0.0002","16.7488","0.0002","25.2197","0.0002","90","","94.831","0.001","90","","8389.74","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C151.32 H173.29 Cu4 N18.66 O46.56 -","- C151.316 H173.292 Cu4 N18.66 O46.56 -","- C302.632 H346.584 Cu8 N37.32 O93.12 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.1104","0.105","","","0.3576","0.366","","","","","","1.7","","","","has coordinates,has disorder","290117","2024-03-04","19:59:54",""
"1570762","19.834","0.0002","16.8359","0.0002","25.5694","0.0002","90","","96.331","0.001","90","","8486.15","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138.88 H142.27 Cu4 N15.16 O44.67 -","- C138.88 H142.262 Cu4 N15.158 O44.672 -","- C277.76 H284.524 Cu8 N30.316 O89.344 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.1453","0.1366","","","0.4207","0.4323","","","","","","1.963","","","","has coordinates,has disorder","290117","2024-03-04","19:59:54",""
"1570763","10.854","0.005","10.173","0.005","16.146","0.007","90","","95.651","0.014","90","","1774.1","1.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C88 H60 N4 O12 S4 -","4","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.064","0.0407","","","0.0901","0.0983","","","","","","1.067","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570764","8.9567","0.0012","10.129","0.0013","11.0747","0.0014","115.736","0.004","95.407","0.004","101.18","0.004","869.6","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C44 H30 N2 O6 S2 -","2","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.0628","0.0456","","","0.114","0.1221","","","","","","1.036","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570765","13.7479","0.0009","17.9258","0.0009","14.2154","0.0008","90","","94.773","0.003","90","","3491.1","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C176 H120 N8 O24 S8 -","8","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.0399","0.032","","","0.0813","0.0841","","","","","","1.042","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570766","8.9045","0.0005","10.4068","0.0005","11.071","0.0006","63.033","0.002","71.405","0.002","75.259","0.002","859.28","0.08","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C44 H30 N2 O6 S2 -","2","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.0324","0.0308","","","0.0771","0.0781","","","","","","1.062","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570767","8.086","0.003","5.5939","0.0014","38.073","0.011","90","","94.504","0.01","90","","1716.8","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N O4 S -","- C21 H13 N O4 S -","- C84 H52 N4 O16 S4 -","4","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.1055","0.0513","","","0.1048","0.1233","","","","","","1.012","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570768","9.6958","0.0003","17.1453","0.0005","18.5627","0.0006","85.106","0.002","77.072","0.002","78.794","0.002","2947.43","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Diadamantanocyclophane dialdehyde (DADA)","","","- C44 H50 O2 S4 -","- C44 H50 O2 S4 -","- C132 H150 O6 S12 -","3","1.5","","Mohanan, Manikandan; Zhang, Xinran; Gavvalapalli, Nagarjuna","π-Face strapped monomers enable self-stabilized hyperbranched π-conjugated polymer particles","Polymer Chemistry","2024","15","5","422","430","10.1039/D3PY01158E","","","0.71073","MoKα","","0.1073","0.0559","","","0.1169","0.1388","","","","","","1.012","","","","has coordinates","289646","2024-02-04","12:32:43",""
"1570769","10.8836","0.0004","10.8836","0.0004","47.541","0.005","90","","90","","90","","5631.4","0.7","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","copper tetraisopropylporphyrin dichloromethane solvate","","- C130 H148 Cl4 Cu4 N16 -","- C130 H148 Cl4 Cu4 N16 -","- C260 H296 Cl8 Cu8 N32 -","2","0.25","","Kazmierczak, Nathanael P.; Lopez, Nathan E.; Luedecke, Kaitlin M.; Hadt, Ryan G.","Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins <i>via</i> resonance Raman spectroscopy.","Chemical science","2024","15","7","2380","2390","10.1039/d3sc05774g","","","1.54178","CuKα","","0.0468","0.0408","","","0.1104","0.1165","","","","","","1.04","","","","has coordinates,has disorder","290132","2024-03-04","20:04:02",""
"1570770","9.9467","0.0004","10.7574","0.0006","19.8365","0.0009","90","","90","","90","","2122.52","0.17","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 Si -","- C21 H26 N2 O4 Si -","- C84 H104 N8 O16 Si4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","0.71073","MoKα","","0.0418","0.0354","","","0.0816","0.0858","","","","","","1.03","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570771","15.3631","0.0005","11.8472","0.0003","22.4626","0.0007","90","","90.492","0.003","90","","4088.3","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H26 N2 O3 Si -","- C19 H26 N2 O3 Si -","- C152 H208 N16 O24 Si8 -","8","2","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","0.71073","MoKα","","0.0409","0.0364","","","0.0952","0.0988","","","","","","1.025","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570772","13.0639","0.0004","11.4369","0.0003","19.0593","0.0005","90","","93.949","0.002","90","","2840.9","0.14","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H13 B F15 N O -","- C32 H13 B F15 N O -","- C128 H52 B4 F60 N4 O4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","1.54178","CuKα","","0.0587","0.0458","","","0.1243","0.1369","","","","","","1.013","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570773","18.4252","0.0005","8.0582","0.0003","20.1712","0.0006","90","","107.799","0.003","90","","2851.55","0.16","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H13 B F15 N O -","- C32 H13 B F15 N O -","- C128 H52 B4 F60 N4 O4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","1.54178","CuKα","","0.0626","0.0514","","","0.1287","0.1353","","","","","","1.149","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570774","9.0442","0.0006","9.8687","0.0006","16.26","0.001","83.784","0.005","80.686","0.005","75.18","0.005","1381.1","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H11 B F15 N O -","- C31 H11 B F15 N O -","- C62 H22 B2 F30 N2 O2 -","2","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","1.54178","CuKα","","0.0727","0.0575","","","0.1472","0.1609","","","","","","1.057","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570780","9.4435","0.0003","9.4435","0.0003","15.3288","0.0006","90","","90","","120","","1183.87","0.07","296","","296","","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- Ba2 F31 K3 Zr6 -","- Ba2 F31 K3 Zr6 -","- Ba4 F62 K6 Zr12 -","2","0.166667","","Yan, Mei; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar <i>cis</i>-[Zr<sub>6</sub>F<sub>34</sub>]<sup>10-</sup> clusters.","Chemical science","2024","15","8","2883","2888","10.1039/d3sc06683e","","","0.71073","MoKα","","0.0163","0.0163","","","0.0376","0.0377","","","","","","1.166","","","","has coordinates","290118","2024-03-04","20:00:00",""
"1570781","15.28922","0.00015","16.70934","0.00013","27.2586","0.0002","90","","93.5087","0.0008","90","","6950.78","0.1","110","0.1","110","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Cl F6 P5 Pd3 Sb -","- C78 H65 Cl F6 P5 Pd3 Sb -","- C312 H260 Cl4 F24 P20 Pd12 Sb4 -","4","1","","Jeddi, Neda; Scott, Neil W. J.; Tanner, Theo; Beaumont, Simon K.; Fairlamb, Ian J. S.","Evidence for Suzuki-Miyaura cross-couplings catalyzed by ligated Pd<sub>3</sub>-clusters: from cradle to grave.","Chemical science","2024","15","8","2763","2777","10.1039/d3sc06447f","","x-ray","1.54184","CuKα","","0.0366","0.0303","","","0.0776","0.0827","","","","","","0.996","","","","has coordinates","290110","2024-03-04","19:58:13",""
"1570782","5.4496","0.0002","20.6183","0.0006","13.2918","0.0004","90","","99.854","0.001","90","","1471.45","0.08","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","29","","- C17 H10 Br N O3 -","- C17 H10 Br N O3 -","- C68 H40 Br4 N4 O12 -","4","1","","He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao","Nitrogen atom insertion into arenols to access benzazepines.","Chemical science","2024","15","7","2612","2617","10.1039/d3sc05367a","","","1.34138","GaKα","","0.0374","0.0344","","","0.0934","0.0962","","","","","","1.081","","","","has coordinates","290127","2024-03-04","20:02:58",""
"1570783","7.762","0.0005","12.9308","0.0009","15.9453","0.001","90","","94.829","0.002","90","","1594.73","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","399","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","1","","He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao","Nitrogen atom insertion into arenols to access benzazepines.","Chemical science","2024","15","7","2612","2617","10.1039/d3sc05367a","","","1.34138","GaKα","","0.1257","0.0477","","","0.0962","0.1195","","","","","","0.947","","","","has coordinates","290127","2024-03-04","20:02:58",""
"1570784","7.7369","0.0006","9.7927","0.0009","16.8291","0.0016","90","","100.727","0.004","90","","1252.78","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","375","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao","Nitrogen atom insertion into arenols to access benzazepines.","Chemical science","2024","15","7","2612","2617","10.1039/d3sc05367a","","","1.34138","GaKα","","0.1478","0.0935","","","0.2433","0.3017","","","","","","1.084","","","","has coordinates","290127","2024-03-04","20:02:58",""
"1570785","9.2818","0.0003","14.7927","0.0005","19.3153","0.0007","90","","95.886","0.001","90","","2638.06","0.16","105","","105","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cu F15 P -","- C22 H27 Cu F15 P -","- C88 H108 Cu4 F60 P4 -","4","1","","Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.","Chemical science","2024","15","8","2990","2995","10.1039/d3sc06299f","","","0.71073","MoKα","","0.0764","0.0658","","","0.1896","0.2008","","","","","","1.06","","","","has coordinates,has disorder","290112","2024-03-04","19:58:37",""
"1570786","9.4791","0.0008","10.7301","0.0009","14.7059","0.0013","90.169","0.003","90.23","0.003","116.097","0.003","1343.2","0.2","105","","105","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Ag F15 P -","- C22 H27 Ag F15 P -","- C44 H54 Ag2 F30 P2 -","2","1","","Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.","Chemical science","2024","15","8","2990","2995","10.1039/d3sc06299f","","","0.71073","MoKα","","0.0424","0.0403","","","0.1148","0.1169","","","","","","1.082","","","","has coordinates","290112","2024-03-04","19:58:37",""
"1570787","10.7338","0.0003","17.1617","0.0006","17.323","0.0006","112.222","0.001","102.595","0.001","104.552","0.001","2679.07","0.16","105","","105","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Au F15 P -","- C22 H27 Au F15 P -","- C88 H108 Au4 F60 P4 -","4","2","","Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.","Chemical science","2024","15","8","2990","2995","10.1039/d3sc06299f","","","1.54178","CuKα","","0.0362","0.0332","","","0.103","0.1067","","","","","","1.126","","","","has coordinates","290112","2024-03-04","19:58:37",""
"1570788","10.7938","0.0003","19.4422","0.0005","17.8596","0.0005","90","","104.394","0.003","90","","3630.28","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Nd(Cptt)3","","- C39 H63 Nd -","- C39 H63 Nd -","- C156 H252 Nd4 -","4","1","","Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana","Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy.","Chemical science","2024","15","8","3003","3010","10.1039/d3sc06175b","","","0.71073","MoKα","","0.065","0.0451","","","0.0856","0.0968","","","","","","1.064","","","","has coordinates","290109","2024-03-04","19:58:04",""
"1570789","10.7001","0.0008","18.4935","0.0009","19.7113","0.0013","83.299","0.005","77.365","0.006","74.64","0.005","3662.9","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H63 La -","- C39 H63 La -","- C156 H252 La4 -","4","2","","Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana","Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy.","Chemical science","2024","15","8","3003","3010","10.1039/d3sc06175b","","","0.71073","MoKα","","0.095","0.0559","","","0.0809","0.0926","","","","","","0.996","","","","has coordinates,has disorder","290109","2024-03-04","19:58:05",""
"1570790","10.4236","0.0003","17.9728","0.0005","17.9093","0.0005","90","","90.648","0.002","90","","3354.94","0.16","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H198 Mn4 N8 O9 P8 -","- C136 H198 Mn4 N8 O9 P8 -","- C136 H198 Mn4 N8 O9 P8 -","1","0.25","","Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David","Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.","Chemical science","2024","15","7","2571","2577","10.1039/d3sc04935c","","x-ray","0.71073","MoKα","","0.0585","0.0434","","","0.0999","0.1057","","","","","","1.072","","","","has coordinates","290126","2024-03-04","20:02:50",""
"1570791","9.5026","0.0005","16.911","0.0006","21.3649","0.001","90","","100.11","0.004","90","","3380","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H49 Mn N2 O2 P2 -","- C34 H49 Mn N2 O2 P2 -","- C136 H196 Mn4 N8 O8 P8 -","4","2","","Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David","Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.","Chemical science","2024","15","7","2571","2577","10.1039/d3sc04935c","","x-ray","1.54184","CuKα","","0.0978","0.0888","","","0.2071","0.214","","","","","","1.058","","","","has coordinates","290126","2024-03-04","20:02:50",""
"1570793","13.9175","0.0004","14.8192","0.0004","19.2412","0.0005","89.702","0.002","77.628","0.002","79.792","0.002","3812.69","0.18","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C85 H94 B N5 -","- C85 H94 B N5 -","- C170 H188 B2 N10 -","2","1","","Du, Mingxu; Mai, Minqiang; Zhang, Dongdong; Duan, Lian; Zhang, Yuewei","Stereo effects for efficient synthesis of orange-red multiple resonance emitters centered on a pyridine ring.","Chemical science","2024","15","9","3148","3154","10.1039/d3sc06470k","","x-ray","1.54184","CuKα","","0.074","0.0656","","","0.1843","0.1923","","","","","","1.037","","","","has coordinates,has disorder","290136","2024-03-04","20:05:12",""
"1570794","10.681","0.0002","13.7656","0.0002","22.8895","0.0004","90","","93.616","0.001","90","","3358.75","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(SIMes)AgBHT","(SIMes)AgOAr","","- C36 H49 Ag N2 O -","- C36 H49 Ag N2 O -","- C144 H196 Ag4 N8 O4 -","4","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.0266","0.0262","","","0.0737","0.074","","","","","","1.146","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570795","10.1212","0.0001","11.216","0.0002","14.9017","0.0002","109.269","0.001","90.061","0.001","109.016","0.001","1498.5","0.04","100.01","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","(IMes)AgMes","","- C33.5 H39 Ag N2 -","- C33.5 H39 Ag N2 -","- C67 H78 Ag2 N4 -","2","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","","1.54184","CuKα","","0.026","0.0259","","","0.0715","0.0716","","","","","","1.098","","","","has coordinates,has disorder","290116","2024-03-04","19:59:34",""
"1570796","15.7456","0.0003","16.8545","0.0004","19.8172","0.0005","90","","90","","90","","5259.2","0.2","100.1","0.3","100.1","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(SIMes)AgMes","","- C30 H37 Ag N2 -","- C30 H37 Ag N2 -","- C240 H296 Ag8 N16 -","8","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.0384","0.0372","","","0.1024","0.1035","","","","","","1.088","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570797","17.3928","0.0006","14.3855","0.0004","17.9551","0.0006","90","","112.995","0.004","90","","4135.5","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(SIMes)AgMe","","- C22 H29 Ag N2 -","- C22 H29 Ag N2 -","- C176 H232 Ag8 N16 -","8","2","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.033","0.032","","","0.0877","0.0884","","","","","","1.113","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570798","11.1099","0.0002","16.5691","0.0002","19.2966","0.0003","90","","104.487","0.002","90","","3439.2","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SIMes)AgOTBOS","(SIMes)Ag(OSi(OtBu)3)","","- C33 H53 Ag N2 O4 Si -","- C33 H53 Ag N2 O4 Si -","- C132 H212 Ag4 N8 O16 Si4 -","4","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.03","0.0298","","","0.085","0.0852","","","","","","1.129","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570799","11.1581","0.0002","16.6129","0.0002","19.1762","0.0003","90","","104.952","0.002","90","","3434.31","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(IMes)AgTBOS","(IMes)Ag(OSi(OtBu)3)","","- C33 H51 Ag N2 O4 Si -","- C33 H51 Ag N2 O4 Si -","- C132 H204 Ag4 N8 O16 Si4 -","4","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","0.71073","MoKα","","0.0485","0.038","","","0.0857","0.09","","","","","","1.19","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570800","20.852","0.004","44.031","0.012","13.785","0.004","90","","90","","90","","12656","6","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","(SIMes)AgHMDS","(SIMes)Ag(N(SiMe3)2)","","- C27 H44 Ag N3 Si2 -","- C27 H44 Ag N3 Si2 -","- C432 H704 Ag16 N48 Si32 -","16","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","","0.71073","MoKα","","0.0373","0.0329","","","0.0623","0.0642","","","","","","1.096","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570801","9.061","0.012","11.978","0.012","12.657","0.016","107.62","0.04","110.74","0.04","93.69","0.04","1202","3","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C52 H76 O12 -","2","2","","Yan, Dexiu; Matsuda, Yudai","Global genome mining-driven discovery of an unusual biosynthetic logic for fungal polyketide-terpenoid hybrids.","Chemical science","2024","15","8","3011","3017","10.1039/d3sc06001b","","","1.54178","CuKα","","0.0498","0.0454","","","0.1164","0.1216","","","","","","1.051","","","","has coordinates","290119","2024-03-04","20:00:08",""
"1570802","21.6821","0.0011","5.327","0.0004","22.9919","0.0015","90","","114.126","0.005","90","","2423.6","0.3","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 N O -","- C18 H11 N O -","- C144 H88 N8 O8 -","8","1","","Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y.","Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells.","Chemical science","2024","15","8","2778","2785","10.1039/d3sc05485c","","","1.54178","CuKα","","0.0407","0.0384","","","0.1037","0.1064","","","","","","1.068","","","","has coordinates","290115","2024-03-04","19:59:15",""
"1570803","15.7172","0.0003","5.2891","0.0001","31.0413","0.0007","90","","90","","90","","2580.46","0.09","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H11 N S -","- C18 H11 N S -","- C144 H88 N8 S8 -","8","2","","Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y.","Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells.","Chemical science","2024","15","8","2778","2785","10.1039/d3sc05485c","","","1.54178","CuKα","","0.0574","0.0509","","","0.1378","0.1458","","","","","","1.066","","","","has coordinates","290115","2024-03-04","19:59:16",""
"1570804","3.9819","0.0003","14.7672","0.0009","11.4435","0.0008","90","","94.161","0.007","90","","671.12","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 N3 O3 -","- C17 H11 N3 O3 -","- C34 H22 N6 O6 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.0863","0.0653","","","0.1683","0.1811","","","","","","1.013","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570805","9.1825","0.0005","9.2868","0.0007","10.5049","0.0008","91.395","0.006","104.674","0.006","99.577","0.005","852.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O6 S -","- C18 H15 N3 O6 S -","- C36 H30 N6 O12 S2 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.106","0.0657","","","0.1984","0.2205","","","","","","1.073","","","","has coordinates,has disorder","290134","2024-03-04","20:04:53",""
"1570806","7.4257","0.0002","13.6826","0.0004","15.0095","0.0005","80.434","0.003","78.161","0.003","81.361","0.003","1461.12","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N6 O8 Zn -","- C34 H24 N6 O8 Zn -","- C68 H48 N12 O16 Zn2 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","x-ray","1.3405","GaKα","","0.0567","0.0482","","","0.1419","0.1481","","","","","","1.064","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570807","10.3354","0.0004","10.6777","0.0004","13.1615","0.0003","97.249","0.002","95.452","0.002","92.065","0.003","1432.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 Co N6 O7 -","- C34 H22 Co N6 O7 -","- C68 H44 Co2 N12 O14 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.0579","0.0482","","","0.1292","0.1356","","","","","","1.084","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570808","6.963","0.0006","12.2129","0.001","15.0009","0.0012","90","","98.316","0.008","90","","1262.24","0.18","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","x-ray","1.3405","GaKα","","0.0657","0.0589","","","0.1703","0.1771","","","","","","1.077","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570812","13.389","0.004","13.389","0.004","13.389","0.004","90","","90","","90","","2400.2","1.2","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Tetramethylammonium (henicosafluoridotetrabromate(V))-bromine pentafluoride (1/1)","","- C4 H12 Br5 F26 N -","- C4 H11.9997 Br5 F25.999 N -","- C16 H47.9988 Br20 F103.996 N4 -","4","0.333333","","Möbs, Martin; Graubner, Tim; Karttunen, Antti J.; Kraus, Florian","[Br<sub>4</sub>F<sub>21</sub>]<sup>-</sup> - a unique molecular tetrahedral interhalogen ion containing a μ<sub>4</sub>-bridging fluorine atom surrounded by BrF<sub>5</sub> molecules.","Chemical science","2024","15","9","3273","3278","10.1039/d3sc06688f","","","0.71073","MoKα","","0.0273","0.0248","","","0.0645","0.0655","","","","","","1.035","","","","has coordinates,has disorder","290135","2024-03-04","20:05:03",""
"1570813","23.8532","0.0003","21.0638","0.0003","21.3167","0.0003","90","","97.97","0.001","90","","10606.9","0.3","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50 H51 B F15 K N O4 -","- C50 H51 B F15 K N O4 -","- C400 H408 B8 F120 K8 N8 O32 -","8","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.0582","0.0529","","","0.1471","0.1518","","","","","","1.032","","","","has coordinates,has disorder","290133","2024-03-04","20:04:33",""
"1570814","11.4874","0.0002","20.6397","0.0004","15.6705","0.0003","90","","92.13","0.002","90","","3712.85","0.12","100","2","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H32 B F15 N2 O2 -","- C42 H32 B F15 N2 O2 -","- C168 H128 B4 F60 N8 O8 -","4","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.027","0.0264","","","0.0684","0.0687","","","","","","1.059","","","","has coordinates","290133","2024-03-04","20:04:33",""
"1570815","12.0583","0.0001","16.6138","0.0001","21.2222","0.0002","90","","96.569","0.001","90","","4223.62","0.06","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 B F15 N2 O2 -","- C46 H36 B F15 N2 O2 -","- C184 H144 B4 F60 N8 O8 -","4","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.0458","0.038","","0.1088","0.1028","0.1088","","","","","","0.9784","","","","has coordinates","290133","2024-03-04","20:04:33",""
"1570816","32.364","0.007","11.022","0.002","23.039","0.005","90","","93.043","0.01","90","","8207","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H37 B Cl2 F15 N O2 -","- C43 H37 B Cl2 F15 N O2 -","- C344 H296 B8 Cl16 F120 N8 O16 -","8","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","","0.71073","MoKα","","0.037","0.032","","","0.0765","0.0802","","","","","","1.045","","","","has coordinates,has disorder","290133","2024-03-04","20:04:33",""
"1570817","17.6111","0.0004","17.6111","0.0004","26.4443","0.0006","90","","90","","90","","8201.7","0.3","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 H36 Ga3 Ho -","- C12 H36 Ga3 Ho -","- C192 H576 Ga48 Ho16 -","16","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0434","0.0404","","","0.0773","0.0782","","","","","","1.395","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570818","10.8711","0.0006","15.7025","0.0009","12.4891","0.0007","90","","102.07","0.001","90","","2084.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Dy Ga3 -","- C12 H36 Dy Ga3 -","- C48 H144 Dy4 Ga12 -","4","0.5","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0196","0.0189","","","0.0479","0.0483","","","","","","1.065","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570819","11.8446","0.0008","12.0811","0.0008","15.8693","0.0011","81.388","0.002","80.802","0.002","66.125","0.002","2040.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H58 Al B Ho N7 -","- C35 H58 Al B Ho N7 -","- C70 H116 Al2 B2 Ho2 N14 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0656","0.0432","","","0.0908","0.0992","","","","","","1.046","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570820","11.4785","0.0019","17.511","0.003","14.619","0.002","90","","105.928","0.004","90","","2825.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H91 B N9 O3 Y -","- C55 H91 B N9 O3 Y -","- C110 H182 B2 N18 O6 Y2 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.1104","0.0971","","","0.2325","0.2385","","","","","","1.115","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570821","10.767","0.005","12.621","0.006","17.188","0.009","77.029","0.013","81.681","0.016","88.061","0.009","2252.1","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H69 B Ho N7 -","- C44 H69 B Ho N7 -","- C88 H138 B2 Ho2 N14 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0371","0.0344","","","0.0907","0.0925","","","","","","1.057","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570822","9.564","0.0011","23.328","0.003","18.369","0.002","90","","100.874","0.002","90","","4024.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H62 Al0.86 B Dy Ga0.14 N7 -","- C38.5 H62 Al0.855 B Dy Ga0.145 N7 -","- C154 H248 Al3.42 B4 Dy4 Ga0.58 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0462","0.0334","","","0.0719","0.0773","","","","","","1.042","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570823","41.94","0.003","11.5627","0.0007","19.9969","0.0012","90","","102.894","0.001","90","","9452.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H71 B Dy N9 -","- C46.5 H71 B Dy N9 -","- C372 H568 B8 Dy8 N72 -","8","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0629","0.0385","","","0.0773","0.087","","","","","","1.022","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570824","21.5531","0.0009","11.2886","0.0005","19.1515","0.0008","90","","108.049","0.001","90","","4430.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H68 Al B Ho N7 -","- C43 H68 Al B Ho N7 -","- C172 H272 Al4 B4 Ho4 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0237","0.0216","","","0.0429","0.0438","","","","","","1.015","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570825","12.1758","0.0012","17.8931","0.0017","23.26","0.002","90","","96.643","0.002","90","","5033.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H76 B Dy N8 -","- C49.5 H76 B Dy N8 -","- C198 H304 B4 Dy4 N32 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.082","0.0439","","","0.0888","0.1048","","","","","","1.018","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570826","41.814","0.002","11.5565","0.0006","20.0524","0.001","90","","102.683","0.002","90","","9453.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H71 B Ho N9 -","- C46.5 H71 B Ho N9 -","- C372 H568 B8 Ho8 N72 -","8","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.1002","0.0519","","","0.0805","0.0939","","","","","","1.013","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570827","42.723","0.006","10.3005","0.0013","21.324","0.002","90","","90.449","0.002","90","","9384","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 B2 Dy N7 -","- C44 H72 B2 Dy N7 -","- C352 H576 B16 Dy8 N56 -","8","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0552","0.0376","","","0.0806","0.0888","","","","","","1.022","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570828","10.851","0.002","20.269","0.004","22.192","0.005","96.949","0.003","96.699","0.003","100.067","0.003","4722.8","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H80 B Ho N8 O -","- C48 H80 B Ho N8 O -","- C192 H320 B4 Ho4 N32 O4 -","4","2","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0703","0.0412","","","0.0832","0.0941","","","","","","1.01","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570829","11.6084","0.001","18.3503","0.0015","18.8307","0.0015","90","","98.396","0.002","90","","3968.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61 B Dy N7 -","- C37 H61 B Dy N7 -","- C148 H244 B4 Dy4 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0368","0.0279","","","0.0623","0.0667","","","","","","1.052","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570830","9.8291","0.001","13.4472","0.0012","18.5931","0.0017","96.149","0.002","100.699","0.002","110.456","0.002","2222.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H67 B Ga Ho N6 -","- C39.5 H67 B Ga Ho N6 -","- C79 H134 B2 Ga2 Ho2 N12 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0601","0.0469","","","0.1284","0.137","","","","","","1.09","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570831","19.7303","0.0009","11.5097","0.0005","37.3911","0.0018","90","","90","","90","","8491.1","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H69 B Dy N7 O1.5 -","- C42 H69 B Dy N7 O1.5 -","- C336 H552 B8 Dy8 N56 O12 -","8","2","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0371","0.0316","","","0.0645","0.0669","","","","","","1.04","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570832","6.60006","0.00018","7.7434","0.0003","55.33","0.0013","90","","90","","90","","2827.75","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H46 O17 -","- C23 H46 O17 -","- C92 H184 O68 -","4","1","","Arishi, Amr A.; Shang, Zhuo; Lacey, Ernest; Crombie, Andrew; Vuong, Daniel; Li, Hang; Bracegirdle, Joe; Turner, Peter; Lewis, William; Flematti, Gavin R.; Piggott, Andrew M.; Chooi, Yit-Heng","Discovery and heterologous biosynthesis of glycosylated polyketide luteodienoside A reveals unprecedented glucinol-mediated product offloading by a fungal carnitine <i>O</i>-acyltransferase domain.","Chemical science","2024","15","9","3349","3356","10.1039/d3sc05008d","","x-ray","1.54184","CuKα","","0.0562","0.0528","","","0.0992","0.1013","","","","","","1.146","","","","has coordinates","290138","2024-03-04","20:05:30",""
"1570833","27.2958","0.0011","10.3051","0.0004","25.7535","0.001","90","","109.129","0.0017","90","","6844.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 N O6 P Pd S -","- C34 H34 N O6 P Pd S -","- C272 H272 N8 O48 P8 Pd8 S8 -","8","1","","Mirabal, Rafael A.; Buratynski, Javan A.; Scott, Ryan J.; Schipper, Derek J.","A palladium precatalyst for direct arylation polymerization","Polymer Chemistry","2024","15","9","847","852","10.1039/D3PY00878A","","","0.71073","MoKα","","0.0715","0.0424","","","0.0802","0.0847","","","","","","1.326","","","","has coordinates","290286","2024-03-04","20:46:53",""
"1570834","7.6542","0.0002","8.5911","0.0003","16.6247","0.0005","90","","94.622","0.003","90","","1089.65","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H12 Cd Cl3 N3 -","- C6 H12 Cd Cl3 N3 -","- C24 H48 Cd4 Cl12 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0497","0.0494","","","0.1297","0.1299","","","","","","1.024","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570835","7.9948","0.0001","8.6736","0.0001","16.9504","0.0003","90","","95.696","0.002","90","","1169.6","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C6 H12 Br3 Cd N3 O0 -","- C6 H12 Br3 Cd N3 -","- C24 H48 Br12 Cd4 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.055","0.054","","","0.1596","0.161","","","","","","1.041","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570836","7.1135","0.0003","7.7569","0.0003","8.8801","0.0004","90","","91.575","0.003","90","","489.81","0.04","282.01","0.1","282.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 Cd Cl2 N3 -","- C6 H11 Cd Cl2 N3 -","- C12 H22 Cd2 Cl4 N6 -","2","0.5","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0664","0.0641","","","0.1819","0.1906","","","","","","1.042","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570837","9.0513","0.0002","8.0055","0.0002","14.166","0.0003","90","","90.092","0.002","90","","1026.47","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Br2 Cd N3 O0 -","- C6 H11 Br2 Cd N3 -","- C24 H44 Br8 Cd4 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0532","0.0524","","","0.1492","0.1496","","","","","","1.088","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570838","7.2184","0.0002","8.1651","0.0002","8.9205","0.0002","90","","90.782","0.002","90","","525.72","0.02","282","2","282","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 Br2 Cd N3 O0 -","- C6 H11 Br2 Cd N3 -","- C12 H22 Br4 Cd2 N6 -","2","0.5","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0498","0.0491","","","0.1376","0.1383","","","","","","1.09","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570839","8.9307","0.0003","7.6716","0.0002","14.0159","0.0004","90","","92.145","0.003","90","","959.6","0.05","99.97","0.15","99.97","0.15","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cd Cl2 N3 O0 -","- C6 H11 Cd Cl2 N3 -","- C24 H44 Cd4 Cl8 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0615","0.06","","","0.1878","0.1886","","","","","","1.085","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570844","9.3426","0.0007","13.6019","0.0009","19.5752","0.0013","75.524","0.002","76.84","0.002","89.604","0.002","2342","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H41 N2 O -","- C25 H41 N2 O -","- C100 H164 N8 O4 -","4","2","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","0.71073","MoKα","","0.1265","0.0626","","","0.1315","0.1566","","","","","","0.979","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570845","9.9626","0.0002","12.7843","0.0002","13.6552","0.0002","69.243","0.001","75.674","0.001","87.52","0.001","1573.84","0.05","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H50 N2 -","- C38 H50 N2 -","- C76 H100 N4 -","2","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","1.54178","CuKα","K-L~3~","0.0486","0.0397","","","0.0965","0.1023","","","","","","1.036","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570846","10.4427","0.0009","24.913","0.002","11.5295","0.0009","90","","116.382","0.004","90","","2687.1","0.4","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 N3 -","- C29 H45 N3 -","- C116 H180 N12 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","1.54178","CuKα","K-L~3~","0.0645","0.0479","","","0.1204","0.1317","","","","","","1.032","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570847","10.1396","0.0004","20.3171","0.0008","19.4251","0.0007","90","","100.025","0.001","90","","3940.6","0.3","273.15","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 N3 -","- C47 H65 N3 -","- C188 H260 N12 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","0.71073","MoKα","K-L~3~","0.0665","0.0441","","","0.0961","0.1063","","","","","","1.026","","","","has coordinates,has disorder","290837","2024-04-04","22:44:26",""
"1570848","20.277","0.003","10.5458","0.0012","18.401","0.002","90","","92.839","0.006","90","","3930","0.8","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H63 N3 -","- C46 H63 N3 -","- C184 H252 N12 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","1.54178","CuKα","K-L~3~","0.0986","0.0714","","","0.1465","0.1601","","","","","","1.089","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570849","15.926","0.0009","15.8347","0.0008","14.355","0.0008","90","","116.049","0.002","90","","3252.4","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N2 Se -","- C36 H50 N2 Se -","- C144 H200 N8 Se4 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","0.71073","MoKα","K-L~3~","0.0425","0.032","","","0.0768","0.0824","","","","","","1.023","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570850","19.8071","0.0009","13.3759","0.0007","17.5615","0.0008","90","","110.97","0.002","90","","4344.5","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N2 Se -","- C24 H32 N2 Se -","- C192 H256 N16 Se8 -","8","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","","0.71073","MoKα","","0.0254","0.0218","","","0.0539","0.0555","","","","","","1.0371","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570851","10.8568","0.0004","19.2449","0.0008","21.6617","0.0007","87.096","0.001","78.386","0.001","85.535","0.002","4417","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C93 H124 Lu2 N6 -","- C93 H124 Lu2 N6 -","- C186 H248 Lu4 N12 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","0.71073","MoKα","","0.047","0.0311","","","0.067","0.0726","","","","","","1.022","","","","has coordinates","290839","2024-04-04","22:46:10",""
"1570852","21.3577","0.0008","11.1948","0.0004","21.482","0.0009","90","","90.068","0.002","90","","5136.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H153 Al4 N10 Y2 -","- C102 H163 Al4 N10 Y2 -","- C204 H326 Al8 N20 Y4 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34138","GaKα","","0.0832","0.0687","","","0.1773","0.191","","","","","","1.009","","","","has coordinates","290839","2024-04-04","22:46:11",""
"1570853","13.5651","0.0005","18.5143","0.0007","19.5102","0.0007","63.387","0.002","78.245","0.002","77.166","0.002","4240.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H128 Al2 N6 Y2 -","- C92 H128 Al2 N6 Y2 -","- C184 H256 Al4 N12 Y4 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34138","GaKα","","0.0698","0.0557","","","0.1494","0.161","","","","","","1.038","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570854","11.4571","0.0012","19.681","0.003","21.041","0.003","90","","99.503","0.003","90","","4679.4","1.1","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H66 Al N3 Y -","- C49 H73 Al N3 Y -","- C196 H292 Al4 N12 Y4 -","4","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","0.71073","MoKα","","0.0748","0.0412","","","0.0974","0.1101","","","","","","1.028","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570855","11.4749","0.0004","19.6122","0.0007","20.979","0.0009","90","","99.088","0.001","90","","4662","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H73 Al Lu N3 -","- C49 H71 Al Lu N3 -","- C196 H284 Al4 Lu4 N12 -","4","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","0.71073","MoKα","","0.0441","0.0277","","","0.0602","0.0661","","","","","","1.01","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570856","21.5841","0.0006","30.8815","0.0009","16.132","0.0005","90","","94.119","0.001","90","","10725","0.5","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H176 Al4 N6 Y2 -","- C110 H176 Al4 N6 Y2 -","- C440 H704 Al16 N24 Y8 -","4","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34139","GaKα","","0.0553","0.0478","","","0.122","0.129","","","","","","1.021","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570857","5.3341","0.0011","7.7048","0.0016","20.413","0.004","90","","90","","90","","838.9","0.3","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","","Shan, Si-Yi; Zhang, Wei; Cao, Qing; Ye, Yun-Cong; Cai, Zhongzheng; Zhu, Jian-Bo","cis-Fused cyclohexane promoted the chemical recycling of polycarbonate to monomer","Polymer Chemistry","2024","15","11","1070","1076","10.1039/D4PY00005F","","","1.54178","CuKα","","0.0312","0.031","","","0.0774","0.0775","","","","","","1.096","","","","has coordinates","291071","2024-04-05","00:18:33",""
"1570859","20.0056","0.0004","29.2892","0.0006","8.03827","0.00016","90","","95.696","0.002","90","","4686.75","0.16","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Au3 N6 O3 -","- C48 H57 Au3 N6 O3 -","- C192 H228 Au12 N24 O12 -","4","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","0.71073","MoKα","","0.0558","0.0295","","","0.0519","0.0575","","","","","","0.998","","","","has coordinates,has disorder","290842","2024-04-04","22:47:13",""
"1570860","8.3005","0.0006","17.0876","0.001","19.6636","0.0009","68.3","0.005","87.8","0.005","82.613","0.005","2569.7","0.3","229.99","0.1","229.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49.25 H59.5 Au3 Cl2.5 N6 O3 -","- C48 H57 Au3 N6 O3 -","- C96 H114 Au6 N12 O6 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.1083","0.0609","","","0.1546","0.1994","","","","","","1.011","","","","has coordinates,has disorder","290842","2024-04-04","22:47:14",""
"1570861","15.634","0.0003","17.1978","0.0002","25.4548","0.0004","94.8137","0.0012","107.046","0.0015","107.447","0.0015","6130.61","0.19","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C109 H140 Au6 Cl8 N18 -","- C105 H132 Au6 N18 -","- C210 H264 Au12 N36 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.062","0.0446","","","0.1119","0.1184","","","","","","1.047","","","","has coordinates,has disorder","290842","2024-04-04","22:47:14",""
"1570862","20.8869","0.0006","21.3091","0.0007","21.4286","0.0004","96.246","0.002","97.033","0.002","105.196","0.003","9035.4","0.5","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C132.75 H163.5 Au6 Cl25.5 N18 -","- C120 H138 Au6 N18 -","- C240 H276 Au12 N36 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.078","0.0536","","","0.1577","0.1671","","","","","","1.053","","","","has coordinates","290842","2024-04-04","22:47:14",""
"1570863","27.6564","0.0002","27.7466","0.0003","28.2657","0.0003","112.451","0.001","94.9615","0.0008","119.208","0.001","16466.2","0.4","229.99","0.1","229.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C241.5 H301.5 Au12 Cl51 N40 -","- C216 H276 Au12 N40 -","- C432 H552 Au24 N80 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.0863","0.0684","","","0.1956","0.205","","","","","","1.054","","","","has coordinates","290842","2024-04-04","22:47:14",""
"1570864","22.1659","0.00019","24.2178","0.0002","26.9851","0.0002","91.9058","0.0007","104.092","0.0008","94.9457","0.0007","13975.5","0.2","140.15","","140.15","","","","","","","","","6","P -1","-P 1","2","","","","- C280 H276 Au12 Cl12 D4 N40 -","- C278 H276 Au12 Cl6 D2 N40 -","- C556 H552 Au24 Cl12 D4 N80 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.0669","0.0598","","","0.1644","0.1693","","","","","","1.045","","","","has coordinates,has disorder","290842","2024-04-04","22:47:14",""
"1570865","27.2311","0.0003","27.3567","0.0003","27.4198","0.0004","62.4166","0.0013","79.9283","0.0011","72.2345","0.0009","17227.7","0.4","229.99","0.1","229.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C312 H298 Au12 Cl52 N40 -","- C286 H272 Au12 N40 -","- C572 H544 Au24 N80 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.0751","0.057","","","0.1642","0.1738","","","","","","1.06","","","","has coordinates","290842","2024-04-04","22:47:14",""
"1570866","10.1199","0.0001","10.1199","0.0001","38.9943","0.0004","90","","90","","90","","3993.5","0.07","100","0.1","100","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","R-Sb","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C108 H240 Cl24 N8 O48 Sb4 -","4","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","","1.54178","CuKα","","0.0652","0.0639","","","0.1861","0.1875","","","","","","1.075","","","","has coordinates","290840","2024-04-04","22:46:23",""
"1570867","10.3335","0.0002","14.7221","0.0004","13.4584","0.0004","90","","97.826","0.002","90","","2028.37","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","rac-Sb","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C54 H120 Cl12 N4 O24 Sb2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","x-ray","0.71073","MoKα","","0.1118","0.1023","","","0.2833","0.2917","","","","","","1.051","","","","has coordinates,has disorder","290840","2024-04-04","22:46:24",""
"1570868","9.1622","0.0001","10.5718","0.0002","19.3536","0.0004","90","","90","","90","","1874.61","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-er an-SbCl","","- C6 H24 Cl7 N4 Sb -","- C6 H24 Cl7 N4 Sb -","- C24 H96 Cl28 N16 Sb4 -","4","1","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","x-ray","0.71073","MoKα","","0.0139","0.0135","","","0.0288","0.0289","","","","","","1.046","","","","has coordinates","290840","2024-04-04","22:46:24",""
"1570869","10.11536","0.00004","10.11536","0.00004","38.9841","0.0002","90","","90","","90","","3988.87","0.03","100","2","100","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C108 H240 Cl24 N8 O48 Sb4 -","4","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","","1.54178","CuKα","","0.066","0.0652","","","0.1762","0.177","","","","","","1.058","","","","has coordinates,has disorder","290840","2024-04-04","22:46:24",""
"1570870","9.2535","0.0018","14.9","0.003","17.885","0.004","90","","101.861","0.004","90","","2413.3","0.9","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 O -","- C29 H34 O -","- C116 H136 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.104","0.0567","","","0.1514","0.1763","","","","","","1.03","","","","has coordinates,has disorder","290864","2024-04-04","22:56:30",""
"1570871","12.8327","0.0004","13.0654","0.0003","15.244","0.0005","94.104","0.002","114.041","0.003","108.338","0.002","2156.01","0.13","283","1","283","1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H53 Br O -","- C54 H53 Br O -","- C108 H106 Br2 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.1686","0.1461","","","0.4206","0.4423","","","","","","1.831","","","","has coordinates","290864","2024-04-04","22:56:31",""
"1570872","7.2553","0.0015","20.45","0.004","18.243","0.004","90","","100.989","0.004","90","","2657.1","1","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O -","- C33 H36 O -","- C132 H144 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1499","0.0723","","","0.1984","0.2446","","","","","","1.019","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570873","8.6293","0.0012","12.4614","0.0017","26.146","0.004","90","","94.519","0.002","90","","2802.8","0.7","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 O -","- C35 H38 O -","- C140 H152 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0705","0.0553","","","0.1372","0.1499","","","","","","1.064","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570874","12.819","0.003","13.093","0.003","14.822","0.003","93.696","0.005","114.031","0.004","108.413","0.005","2101.6","0.8","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 Cl2 O -","- C52 H48 Cl2 O -","- C104 H96 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1634","0.0812","","","0.205","0.2373","","","","","","1.093","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570875","12.8029","0.0002","13.1018","0.0002","15.0559","0.0003","93.947","0.002","113.886","0.002","108.27","0.002","2136.32","0.08","302.47","0.1","302.47","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H51 I O -","- C53 H51 I O -","- C106 H102 I2 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.1006","0.089","","","0.2625","0.2771","","","","","","1.12","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570876","11.3897","0.0003","18.137","0.0004","19.2706","0.0005","83.875","0.002","81.204","0.002","81.729","0.002","3878.46","0.17","292.5","0.9","292.5","0.9","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0776","0.0563","","","0.1552","0.167","","","","","","1.059","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570877","18.7443","0.0006","10.4995","0.0003","24.1927","0.0008","90","","110.663","0.004","90","","4455","0.3","302.33","0.1","302.33","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl3 O -","- C53 H49 Cl3 O -","- C212 H196 Cl12 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0952","0.0832","","","0.2708","0.284","","","","","","1.067","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570878","13.254","0.003","11.559","0.0016","38.103","0.005","90","","90","","90","","5837.5","1.7","296","2","296.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H38 O -","- C37 H38 O -","- C296 H304 O8 -","8","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0975","0.058","","","0.1279","0.1495","","","","","","1.0934","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570879","12.795","0.009","13.079","0.009","14.955","0.01","93.844","0.009","114.095","0.009","108.298","0.009","2113","3","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 Br2 O -","- C52 H48 Br2 O -","- C104 H96 Br4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.2441","0.0907","","","0.2321","0.3248","","","","","","0.9525","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570880","11.3923","0.0002","18.1449","0.0005","19.2809","0.0005","83.916","0.002","81.263","0.002","81.85","0.002","3885.01","0.16","285.7","0.8","285.7","0.8","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0526","0.0457","","","0.1326","0.1383","","","","","","1.076","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570881","11.379","0.0002","18.1303","0.0003","19.2624","0.0004","83.876","0.002","81.273","0.002","81.763","0.002","3872.71","0.13","291","1","291","1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0767","0.0573","","","0.1555","0.1682","","","","","","1.072","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570882","13.074","0.004","13.147","0.004","14.493","0.005","69.147","0.007","66.505","0.007","89.161","0.008","2111.3","1.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H51 I O2 -","- C51.944 H50.832 I0.944 O2 -","- C103.888 H101.664 I1.888 O4 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1159","0.0845","","","0.2268","0.2664","","","","","","1.078","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570883","9.3608","0.0017","14.084","0.003","14.199","0.003","66.933","0.003","81.559","0.003","75.738","0.003","1666.6","0.6","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H42 O -","- C43 H42 O -","- C86 H84 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0964","0.0651","","","0.189","0.2188","","","","","","1.072","","","","has coordinates","290864","2024-04-04","22:56:31",""
"1570884","12.8128","0.0004","12.9995","0.0004","15.1372","0.0004","93.822","0.001","114.442","0.001","108.377","0.001","2120.8","0.11","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","1.34138","GaKα","","0.0641","0.0519","","","0.1551","0.1653","","","","","","1.1","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570885","12.8123","0.0005","13.0931","0.0005","14.9329","0.0005","93.704","0.003","113.887","0.004","108.24","0.004","2121.92","0.17","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H51 Br O -","- C53 H51 Br O -","- C106 H102 Br2 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.132","0.0998","","","0.273","0.2954","","","","","","1.055","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570886","12.8331","0.0003","13.021","0.0003","15.1558","0.0003","93.893","0.002","114.337","0.002","108.437","0.002","2130.7","0.1","303","0.1","303","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0655","0.0587","","","0.1835","0.1943","","","","","","1.119","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570887","12.8218","0.0002","13.0029","0.0002","15.1355","0.0002","93.833","0.001","114.434","0.001","108.369","0.001","2122.79","0.06","288","0.1","288","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0692","0.0653","","","0.1942","0.1982","","","","","","1.095","","","","has coordinates","290864","2024-04-04","22:56:31",""
"1570888","12.84138","0.00018","13.04491","0.00019","15.1875","0.0002","94.0644","0.0012","114.237","0.0015","108.442","0.0013","2140.66","0.07","318","0.1","318","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0631","0.0578","","","0.1712","0.1764","","","","","","1.076","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570889","12.86643","0.00019","13.09253","0.00019","15.2541","0.0002","94.3619","0.0012","114.007","0.0015","108.555","0.0013","2161.74","0.07","348","0.1","348","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0736","0.0664","","","0.2045","0.2123","","","","","","1.1","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570890","12.85566","0.00017","13.0694","0.00017","15.2213","0.0002","94.2229","0.0011","114.117","0.0014","108.484","0.0012","2151.92","0.06","333","0.1","333","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0699","0.0632","","","0.1961","0.2037","","","","","","1.08","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570891","11.3817","0.0017","18.157","0.003","19.306","0.003","83.855","0.002","81.23","0.002","81.719","0.002","3887.2","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1008","0.0731","","","0.196","0.2234","","","","","","1.0625","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570922","7.4256","0.0004","17.6074","0.0012","18.3241","0.0013","90","","90","","90","","2395.8","0.3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 N3 Pd S -","- C9 H13 Cl2 N3 Pd S -","- C72 H104 Cl16 N24 Pd8 S8 -","8","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0396","0.0335","","","0.0787","0.085","","","","","","1.084","","","","has coordinates","289701","2024-02-05","16:47:25",""
"1570923","16.317","0.003","6.7035","0.001","8.7925","0.0014","90","","95.489","0.009","90","","957.3","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H7 Cl2 N3 Pd S -","- C6 H7 Cl2 N3 Pd S -","- C24 H28 Cl8 N12 Pd4 S4 -","4","0.5","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0257","0.0243","","","0.0643","0.0654","","","","","","0.875","","","","has coordinates","289702","2024-02-05","16:48:44",""
"1570924","8.9806","0.0005","7.3615","0.0004","16.2772","0.001","90","","101.738","0.002","90","","1053.59","0.1","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Cl2 N3 Pd S -","- C7 H9 Cl2 N3 Pd S -","- C28 H36 Cl8 N12 Pd4 S4 -","4","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0173","0.0161","","","0.0503","0.0513","","","","","","1.057","","","","has coordinates","289703","2024-02-05","16:49:31",""
"1570925","17.9491","0.0018","7.2963","0.0007","17.5523","0.0015","90","","91.305","0.003","90","","2298.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl2 N3 Pd S -","- C8 H11 Cl2 N3 Pd S -","- C64 H88 Cl16 N24 Pd8 S8 -","8","2","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.086","0.059","","","0.1311","0.1411","","","","","","1.06","","","","has coordinates","289704","2024-02-05","16:50:28",""
"1570926","9.498","0.003","11.092","0.004","11.502","0.004","66.569","0.013","77.15","0.013","74.427","0.013","1061.8","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 N4 Pd S -","- C21 H20 Cl2 N4 Pd S -","- C42 H40 Cl4 N8 Pd2 S2 -","2","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0525","0.034","","","0.0797","0.0869","","","","","","0.987","","","","has coordinates","289705","2024-02-05","16:51:24",""
"1570927","9.5024","0.0006","9.7838","0.0006","11.4434","0.0007","76.448","0.003","71.639","0.003","62.954","0.003","894.07","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl2 N3 Pd S -","- C18 H15 Cl2 N3 Pd S -","- C36 H30 Cl4 N6 Pd2 S2 -","2","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0541","0.0347","","","0.0653","0.0705","","","","","","1.051","","","","has coordinates","289706","2024-02-05","16:52:48",""
"1570928","16.359","0.003","6.5479","0.0011","9.5918","0.0017","90","","90","","90","","1027.4","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Br3 Cu2 N -","- C4 H12 Br3 Cu2 N -","- C16 H48 Br12 Cu8 N4 -","4","0.5","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Excitonic cuprophilic interactions in one-dimensional hybrid organic-inorganic crystals.","Chemical science","2024","15","11","4075","4085","10.1039/d3sc06255d","","","0.71073","MoKα","","0.0258","0.0241","","","0.0944","0.0971","","","","","","0.86","","","","has coordinates","290853","2024-04-04","22:50:25",""
"1570929","16.535","0.002","7.0771","0.0009","9.6517","0.0011","90","","90","","90","","1129.4","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Ag2 Br3 N -","- C4 H12 Ag2 Br3 N -","- C16 H48 Ag8 Br12 N4 -","4","0.5","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Excitonic cuprophilic interactions in one-dimensional hybrid organic-inorganic crystals.","Chemical science","2024","15","11","4075","4085","10.1039/d3sc06255d","","","0.71073","MoKα","","0.0252","0.0222","","","0.048","0.0489","","","","","","1.217","","","","has coordinates,has disorder","290853","2024-04-04","22:50:25",""
"1570930","13.6717","0.0012","16.5727","0.0014","19.6345","0.0017","85.336","0.002","85.8","0.002","78.852","0.002","4342.8","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 B N O3 -","- C23 H30 B N O3 -","- C184 H240 B8 N8 O24 -","8","4","","Geng, Hui-Qing; Zhao, Yan-Hua; Yang, Peng; Wu, Xiao-Feng","Copper-catalyzed carbonylative multi-component borylamidation of alkenes for synthesizing γ-boryl amides with CO as both methylene and carbonyl sources.","Chemical science","2024","15","11","3996","4004","10.1039/d4sc00156g","","","0.71073","MoKα","","0.0746","0.0561","","","0.1413","0.1572","","","","","","1.025","","","","has coordinates,has disorder","290861","2024-04-04","22:53:12",""
"1570931","12.5971","0.0005","16.0044","0.0008","16.598","0.0008","87.861","0.002","89.132","0.001","85.016","0.002","3331.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C67.5 H57.75 Cd2 N8.75 O14.25 S4 -","- C67.5 H54.75 Cd2 N8.75 O14.25 S4 -","- C135 H109.5 Cd4 N17.5 O28.5 S8 -","2","1","","Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.","Chemical science","2024","15","11","3971","3979","10.1039/d3sc06098e","","","0.71073","MoKα","","0.0712","0.0459","","","0.1055","0.1195","","","","","","1.041","","","","has coordinates,has disorder","290850","2024-04-04","22:49:42",""
"1570932","10.253","0.0004","10.3656","0.0005","12.3264","0.0006","93.007","0.002","101.743","0.002","118.813","0.002","1106.38","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C H Cd0.07 I0 N O S -","- C3 H3.14286 Cd0.142857 N0.285714 O1.28571 S0.142857 -","- C42 H44 Cd2 N4 O18 S2 -","14","7","","Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.","Chemical science","2024","15","11","3971","3979","10.1039/d3sc06098e","","","0.71073","MoKα","","0.0254","0.0224","","","0.0566","0.058","","","","","","1.054","","","","has coordinates","290850","2024-04-04","22:49:42",""
"1570933","10.5185","0.0018","10.725","0.0018","14.858","0.003","93.035","0.005","95.697","0.006","106.48","0.005","1593.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27.5 Cd N2 O8.25 S2 -","- C33 H28.5 Cd N4 O8.25 S2 -","- C66 H57 Cd2 N8 O16.5 S4 -","2","1","","Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.","Chemical science","2024","15","11","3971","3979","10.1039/d3sc06098e","","","0.71073","MoKα","","0.0667","0.0476","","","0.1022","0.1156","","","","","","1.102","","","","has coordinates,has disorder","290850","2024-04-04","22:49:42",""
"1570938","30.834","0.0015","7.832","0.0002","22.5177","0.0011","90","","132.054","0.008","90","","4037.7","0.6","261","2","261","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cl N3 O2 -","- C26 H18 Cl N3 O2 -","- C208 H144 Cl8 N24 O16 -","8","1","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0965","0.0873","","","0.2537","0.2661","","","","","","1.075","","","","has coordinates,has disorder","290852","2024-04-04","22:50:17",""
"1570939","16.36721","0.00018","9.18575","0.00009","19.5534","0.00019","90","","91.7495","0.0009","90","","2938.39","0.05","236","2","236","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 -","- C42 H27 N3 -","- C168 H108 N12 -","4","1","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0453","0.0411","","","0.1138","0.1179","","","","","","1.054","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1570940","12.4937","0.0002","24.0509","0.0004","10.0306","0.0002","90","","104.017","0.002","90","","2924.3","0.09","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 N3 -","- C36 H39 N3 -","- C144 H156 N12 -","4","1","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0869","0.0741","","","0.2095","0.2211","","","","","","1.059","","","","has coordinates,has disorder","290852","2024-04-04","22:50:17",""
"1570941","6.0112","0.0001","15.7452","0.0002","19.7395","0.0002","83.775","0.001","82.422","0.001","80.271","0.001","1818.23","0.04","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","2","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0582","0.0516","","","0.153","0.1617","","","","","","0.973","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1570942","27.5274","0.0003","9.9406","0.0001","27.6836","0.0003","90","","90","","90","","7575.31","0.14","278","2","278","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C352 H368 N16 O64 -","16","4","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0361","0.0336","","","0.089","0.0911","","","","","","1.016","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1570947","8.5352","0.0002","14.7848","0.0004","20.0361","0.0006","90","","101.894","0.001","90","","2474.1","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 B6 Os2 -","- C20 H36 B6 Os2 -","- C80 H144 B24 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0409","0.0304","","","0.0588","0.0665","","","","","","1.101","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570948","8.891","0.008","15.195","0.011","19.952","0.018","90","","100.42","0.03","90","","2651","4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 B10 Os2 -","- C20 H40 B10 Os2 -","- C80 H160 B40 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.1191","0.091","","","0.2329","0.2685","","","","","","1.122","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570949","9.172","0.003","15.337","0.005","19.588","0.006","90","","103.464","0.01","90","","2679.7","1.5","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H38 B8 Os2 -","- C20 H38 B8 Os2 -","- C80 H152 B32 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0381","0.0343","","","0.074","0.0771","","","","","","1.114","","","","has coordinates,has disorder","290849","2024-04-04","22:49:32",""
"1570950","23.6454","0.0008","23.6454","0.0008","8.8984","0.0003","90","","90","","90","","4975.1","0.3","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H37 B7 Os2 -","- C20 H37 B7 Os2 -","- C160 H296 B56 Os16 -","8","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0289","0.0218","","","0.0376","0.0407","","","","","","1.071","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570951","8.9252","0.001","14.6904","0.0016","20.153","0.002","90","","99.649","0.005","90","","2605","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 B9 Os2 -","- C20 H39 B9 Os2 -","- C80 H156 B36 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0612","0.0489","","","0.1139","0.1278","","","","","","1.133","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570952","21.6551","0.0008","21.6551","0.0008","21.6551","0.0008","90","","90","","90","","10155","0.6","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu-NH2-BDC-100K","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.058","0.0425","","","0.109","0.1182","","","","","","1.026","","","","has coordinates","290836","2024-04-04","22:43:45",""
"1570953","21.7226","0.0009","21.7226","0.0009","21.7226","0.0009","90","","90","","90","","10250.3","0.7","200","","200","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","3","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0719","0.0513","","","0.1324","0.1442","","","","","","1.02","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570954","21.7212","0.0008","21.7212","0.0008","21.7212","0.0008","90","","90","","90","","10248.3","0.7","150","","150","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu-NH2-BDC-150K","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0639","0.049","","","0.1274","0.135","","","","","","1.048","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570955","21.6449","0.0008","21.6449","0.0008","21.6449","0.0008","90","","90","","90","","10140.7","0.6","250","","250","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","4","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0575","0.0437","","","0.1168","0.1218","","","","","","1.037","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570956","21.6439","0.0012","21.6439","0.0012","21.6439","0.0012","90","","90","","90","","10139.3","1","200","","200","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1197","0.0875","","","0.2215","0.2384","","","","","","1.08","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570957","21.68","0.0012","21.68","0.0012","21.68","0.0012","90","","90","","90","","10190.1","1","100","","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1211","0.0922","","","0.2167","0.2331","","","","","","1.037","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570958","21.5913","0.0007","21.5913","0.0007","21.5913","0.0007","90","","90","","90","","10065.5","0.6","300","","300","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu-NH2-BDC-300K","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0629","0.0482","","","0.1306","0.1389","","","","","","1.063","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570959","21.6136","0.0013","21.6136","0.0013","21.6136","0.0013","90","","90","","90","","10096.7","1.1","250","","250","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1115","0.0786","","","0.1897","0.2022","","","","","","1.071","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570960","21.6408","0.0006","21.6408","0.0006","21.6408","0.0006","90","","90","","90","","10134.9","0.5","100","","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-100K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.055","0.0464","","","0.1184","0.122","","","","","","1.084","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570961","21.7434","0.0016","21.7434","0.0016","21.7434","0.0016","90","","90","","90","","10279.7","1.3","150","","150","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1193","0.0913","","","0.2112","0.2249","","","","","","1.105","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570962","21.6478","0.0005","21.6478","0.0005","21.6478","0.0005","90","","90","","90","","10144.7","0.4","250","","250","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-250K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0503","0.0437","","","0.1177","0.1205","","","","","","1.133","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570963","21.59","0.0006","21.59","0.0006","21.59","0.0006","90","","90","","90","","10063.7","0.5","300","","300","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-300K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0592","0.0476","","","0.1227","0.1286","","","","","","1.074","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570964","21.556","0.002","21.556","0.002","21.556","0.002","90","","90","","90","","10016.2","1.6","300","","300","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0939","0.067","","","0.1634","0.1753","","","","","","1.013","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570965","21.6554","0.0006","21.6554","0.0006","21.6554","0.0006","90","","90","","90","","10155.4","0.5","200","","200","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-200K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0504","0.0426","","","0.1083","0.1116","","","","","","1.106","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570966","21.6573","0.0006","21.6573","0.0006","21.6573","0.0006","90","","90","","90","","10158.1","0.5","150","","150","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-150K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0511","0.0438","","","0.1165","0.1189","","","","","","1.176","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570969","8.0198","0.0003","9.4799","0.0004","13.7043","0.0006","103.446","0.002","97.519","0.002","102.443","0.002","971.41","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","1","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","0.71073","MoKα","","0.0786","0.0514","","","0.1162","0.1274","","","","","","1.038","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1570970","28.218","0.002","10.8756","0.0007","17.0557","0.0012","90","","124.15","0.002","90","","4331.7","0.5","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H22 N O2.5 -","- C28.5 H22 N O2.5 -","- C228 H176 N8 O20 -","8","1","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","0.71073","MoKα","","0.0861","0.0489","","","0.1048","0.1219","","","","","","1.025","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1570971","7.8226","0.0005","9.87","0.0006","13.4677","0.0008","72.435","0.002","82.536","0.002","83.621","0.002","980.1","0.1","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","2","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","1.54178","CuKα","","0.0317","0.0301","","","0.0783","0.0797","","","","","","1.031","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1570972","5.0119","0.0004","10.5046","0.0008","14.7245","0.0013","101.744","0.005","99.652","0.005","96.654","0.004","739.15","0.11","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N4 O4 S2 -","- C28 H42 N4 O4 S2 -","- C28 H42 N4 O4 S2 -","1","0.5","","Li, Kunrong; Zhang, Hezhe; Chang, Cheng; Lin, Kaiwen; Zhang, Bo; Ma, Zaifei; Wei, Dacheng; Zhang, Qing","A hydrogen bonded azine as a building block for π-conjugated polymers and their semiconducting properties","Polymer Chemistry","2024","15","10","991","998","10.1039/D3PY01346D","","","","","","0.17","","","","","","","","","","","","","","","has coordinates","291069","2024-04-05","00:18:03",""
"1570976","12.826","0.0008","13.0023","0.0008","18.312","0.001","83.087","0.002","75.811","0.002","69.828","0.002","2776.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H83 Cl Ga N4 O Si -","- C58 H83 Cl Ga N4 O Si -","- C116 H166 Cl2 Ga2 N8 O2 Si2 -","2","1","","Kapp, Leon; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Catalytic hydroboration of aldehydes and ketones with an electron-rich acyclic metallasilylene.","Chemical science","2024","15","11","4161","4170","10.1039/d3sc06842k","","","1.54178","CuKα","","0.0425","0.0393","","","0.1064","0.1094","","","","","","1.054","","","","has coordinates,has disorder","290859","2024-04-04","22:52:00",""
"1570977","12.6656","0.0007","13.0233","0.0007","18.9626","0.0011","101.433","0.003","102.306","0.003","111.151","0.002","2717.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H88 Cl Ga N4 O Si -","- C55 H88 Cl Ga N4 O Si -","- C110 H176 Cl2 Ga2 N8 O2 Si2 -","2","1","","Kapp, Leon; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Catalytic hydroboration of aldehydes and ketones with an electron-rich acyclic metallasilylene.","Chemical science","2024","15","11","4161","4170","10.1039/d3sc06842k","","","0.71073","MoKα","","0.0481","0.0329","","","0.0803","0.088","","","","","","1.043","","","","has coordinates,has disorder","290859","2024-04-04","22:52:01",""
"1570978","15.4196","0.001","7.0728","0.0005","44.912","0.002","90","","93.069","0.005","90","","4891.1","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C31 H23 Br N2 O -","- C31 H23 Br N2 O -","- C248 H184 Br8 N16 O8 -","8","1","","Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong","Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption.","Chemical science","2024","15","11","3920","3927","10.1039/d3sc06191d","","x-ray","1.54184","CuKα","","0.1187","0.078","","","0.1931","0.2582","","","","","","1.065","","","","has coordinates","290854","2024-04-04","22:50:34",""
"1570979","19.02","0.03","13.3","0.018","9.799","0.014","90","","100.93","0.03","90","","2434","6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O -","- C31 H23 Br N2 O -","- C124 H92 Br4 N8 O4 -","4","1","","Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong","Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption.","Chemical science","2024","15","11","3920","3927","10.1039/d3sc06191d","","","0.71073","MoKα","","0.2126","0.0952","","","0.1768","0.2291","","","","","","1.065","","","","has coordinates","290854","2024-04-04","22:50:35",""
"1570980","37.877","0.004","19.7175","0.0019","16.623","0.002","90","","102.157","0.011","90","","12136","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H68 B2 F48 N10 Pt4 -","- C130 H68 B2 F48 N10 Pt4 -","- C520 H272 B8 F192 N40 Pt16 -","4","0.5","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.0897","0.0719","","","0.1455","0.1514","","","","","","1.284","","","","has coordinates,has disorder","290851","2024-04-04","22:50:02",""
"1570981","37.583","0.004","19.55","0.002","16.6042","0.0019","90","","103.385","0.002","90","","11869","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H32 B F24 N7 Pt2 -","- C61 H32 B F24 N7 Pt2 -","- C488 H256 B8 F192 N56 Pt16 -","8","1","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.115","0.0817","","","0.187","0.2085","","","","","","1.045","","","","has coordinates,has disorder","290851","2024-04-04","22:50:03",""
"1570982","10.8326","0.0005","18.8796","0.0009","20.8423","0.0011","63.426","0.002","78.863","0.002","73.683","0.002","3647.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H44 B Cl2 F24 N9 Pt2 -","- C74 H44 B Cl2 F24 N9 Pt2 -","- C148 H88 B2 Cl4 F48 N18 Pt4 -","2","1","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.0393","0.026","","","0.0605","0.0662","","","","","","1.007","","","","has coordinates,has disorder","290851","2024-04-04","22:50:03",""
"1570983","19.0654","0.0006","21.3165","0.0007","22.1528","0.0008","61.908","0.001","86.495","0.001","65.219","0.001","7106","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C150 H112 B2 F48 N14 Pt4 -","- C150 H112 B2 F48 N14 Pt4 -","- C300 H224 B4 F96 N28 Pt8 -","2","1","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.0429","0.029","","","0.0638","0.0713","","","","","","1.027","","","","has coordinates,has disorder","290851","2024-04-04","22:50:03",""
"1570984","10.1125","0.0001","18.592","0.0002","36.962","0.0005","90","","89.735","0.001","90","","6949.21","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H83 Co K O8 P3 S2 -","- C67 H83 Co K O8 P3 S2 -","- C268 H332 Co4 K4 O32 P12 S8 -","4","1","","Intrator, Jeremy A.; Velazquez, David A.; Fan, Sicheng; Mastrobattista, Ellie; Yu, Christine; Marinescu, Smaranda C.","Electrocatalytic CO<sub>2</sub> reduction to formate by a cobalt phosphino-thiolate complex.","Chemical science","2024","15","17","6385","6396","10.1039/d3sc06805f","","x-ray","1.54184","CuKα","","0.0722","0.0618","","","0.1843","0.1954","","","","","","0.867","","","","has coordinates,has disorder","291555","2024-05-05","01:30:05",""
"1570985","15.378","0.0004","9.8097","0.0002","20.2954","0.0005","90","","109.076","0.0018","90","","2893.51","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Cl2 Mn2 N6 O8 -","- C64 H66 Cl2 Mn2 N6 O8 -","- C128 H132 Cl4 Mn4 N12 O16 -","2","0.5","","Cook, Emma N.; Courter, Ian M.; Dickie, Diane A.; Machan, Charles W.","Controlling product selectivity during dioxygen reduction with Mn complexes using pendent proton donor relays and added base.","Chemical science","2024","15","12","4478","4488","10.1039/d3sc02611f","","","1.54178","CuKα","","0.0695","0.0505","","","0.1255","0.1376","","","","","","1.027","","","","has coordinates,has disorder","290870","2024-04-04","22:58:26",""
"1570986","8.2349","0.0002","17.2894","0.0006","8.9716","0.0003","90","","97.378","0.001","90","","1266.77","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 F6 N P -","- C8 H20 F6 N P -","- C32 H80 F24 N4 P4 -","4","1","","Cook, Emma N.; Courter, Ian M.; Dickie, Diane A.; Machan, Charles W.","Controlling product selectivity during dioxygen reduction with Mn complexes using pendent proton donor relays and added base.","Chemical science","2024","15","12","4478","4488","10.1039/d3sc02611f","","","0.71073","MoKα","","0.0499","0.0401","","","0.0985","0.1041","","","","","","1.059","","","","has coordinates,has disorder","290870","2024-04-04","22:58:26",""
"1570987","12.5965","0.0001","14.8766","0.0001","19.5176","0.0001","90","","98.321","0.001","90","","3618.96","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","erbium(III)bis(tris-pyrazolylborato)(3,5-di-tert-butylsemiquinonato)","","- C32 H40 B2 Er N12 O2 -","- C32 H40 B2 Er N12 O2 -","- C128 H160 B8 Er4 N48 O8 -","4","1","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.027","0.0262","","","0.0683","0.0689","","","","","","1.069","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570988","9.3365","0.0001","9.3365","0.0001","31.9312","0.0007","90","","90","","90","","2783.45","0.07","100","0.3","100","0.3","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","yttrium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 N12 O2 Y -","- C25 H25 B2 N12 O2 Y -","- C100 H100 B8 N48 O8 Y4 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0324","0.0301","","","0.0737","0.0747","","","","","","1.066","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570989","9.3261","0.0001","9.3261","0.0001","31.8683","0.0005","90","","90","","90","","2771.78","0.06","100","0.1","100","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","erbium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 Er N12 O2 -","- C25 H25 B2 Er N12 O2 -","- C100 H100 B8 Er4 N48 O8 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0289","0.0277","","","0.0694","0.0702","","","","","","1.071","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570990","9.3339","0.0001","9.3339","0.0001","31.9618","0.0006","90","","90","","90","","2784.57","0.07","100","0.1","100","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","erbium(III)@yttrium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 Er0.04 N12 O2 Y0.96 -","- C25 H25 B2 Er0.041 N12 O2 Y0.959 -","- C100 H100 B8 Er0.164 N48 O8 Y3.836 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0271","0.0258","","","0.0666","0.0672","","","","","","1.078","","","","has coordinates,has disorder","290871","2024-04-04","22:58:37",""
"1570991","26.5624","0.0009","26.5624","0.0009","14.7302","0.0007","90","","90","","90","","10393.1","0.7","100","2","100","","","","","","","","","6","I -4","I -4","82","","","","- C208 H216 B4 Fe4 N28 O12 -","- C208 H216 B4 Fe4 N28 O12 -","- C416 H432 B8 Fe8 N56 O24 -","2","0.25","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0316","0.0299","","","0.0763","0.0773","","","","","","1.039","","","","has coordinates","290860","2024-04-04","22:53:03",""
"1570992","8.1243","0.0003","13.335","0.0004","17.7851","0.0005","102.08","0.001","90.3","0.001","96.561","0.001","1870.95","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.33 H3.89 Cl0.22 Fe0.11 N O1.11 -","- C3.33333 H3.88889 Cl0.222222 Fe0.111111 N O1.11111 -","- C60 H70 Cl4 Fe2 N18 O20 -","18","9","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0604","0.059","","","0.1568","0.1581","","","","","","1.05","","","","has coordinates","290860","2024-04-04","22:53:04",""
"1570993","18.5453","0.0011","15.6403","0.0008","21.1386","0.0011","90","","109.232","0.002","90","","5789.2","0.5","116","2","116","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4.327869 H4.327869 B0.131148 Fe0.065574 N0.52459 O0.196721 -","- C4.06557 H3.67213 B0.131148 Fe0.0655738 N0.52459 O0.131148 -","- C248 H224 B8 Fe4 N32 O8 -","61","15.25","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0734","0.0524","","","0.1271","0.1419","","","","","","1.0575","","","","has coordinates","290860","2024-04-04","22:53:04",""
"1570994","9.6506","0.0003","13.0241","0.0004","13.9603","0.0004","86.216","0.002","86.692","0.002","77.039","0.002","1704.58","0.09","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C28 H23 Br2 F4 Mn N4 O7 S -","- C28 H23 Br2 F4 Mn N4 O7 S -","- C56 H46 Br4 F8 Mn2 N8 O14 S2 -","2","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","x-ray","0.71073","MoKα","","0.0583","0.0472","","","0.1324","0.139","","","","","","1.0344","","","","has coordinates","290858","2024-04-04","22:51:50",""
"1570995","20.9009","0.0007","15.2585","0.0003","13.0302","0.0004","90","","123.873","0.005","90","","3450.2","0.3","200","0.1","200","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H30 F3 Mn N4 O10 S -","- C33 H30 F3 Mn N4 O10 S -","- C132 H120 F12 Mn4 N16 O40 S4 -","4","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","x-ray","1.54184","CuKα","","0.0305","0.029","","","0.0692","0.0703","","","","","","1.005","","","","has coordinates","290858","2024-04-04","22:51:51",""
"1570996","19.4782","0.0009","20.4781","0.0008","16.3369","0.0007","90","","90.749","0.002","90","","6515.8","0.5","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 F3 Mn N5 O6.25 S -","- C29 H31 F3 Mn N5 O6.25 S -","- C232 H248 F24 Mn8 N40 O50 S8 -","8","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","","0.71073","MoKα","","0.0484","0.0424","","","0.113","0.118","","","","","","1.033","","","","has coordinates","290858","2024-04-04","22:51:51",""
"1570998","9.30794","0.00007","9.15665","0.00007","9.15459","0.00009","88.9517","0.0007","102.148","0.0007","93.1108","0.0007","761.626","0.011","293","","293","","","","","","","","","7","P -1","-P 1","2","","","?Structure?","- C4 H7 Al3 F N2 O12 P3 -","- C4 H7 Al3 F N2 O12 P3 -","- C8 H14 Al6 F2 N4 O24 P6 -","2","1","","Dawson, Daniel M.; Clayton, Jasmine A.; Marshall, Thomas H. D.; Guillou, Nathalie; Walton, Richard I.; Ashbrook, Sharon E.","Site-directed cation ordering in chabazite-type Al<sub><i>x</i></sub>Ga<sub>1-<i>x</i></sub>PO<sub>4</sub>-34 frameworks revealed by NMR crystallography.","Chemical science","2024","15","12","4374","4385","10.1039/d3sc06924a","powder diffraction","","0.826855","X-raysynchrotron","","","","","","","","","0.046","5.66","","","","","","","has coordinates","290868","2024-04-04","22:57:58",""
"1570999","31.026","0.004","6.7327","0.0004","19.7204","0.0019","90","","124.143","0.007","90","","3409.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-1-(2,6-di(pyrrolidin-1-yl)phenyl)-N-(1-methyl-1H-pyrazol-4-yl)methanimine","","- C19 H25 N5 -","- C19 H25 N5 -","- C152 H200 N40 -","8","1","","Wu, Jiarong; Kreimendahl, Lasse; Tao, Suyuan; Anhalt, Olga; Greenfield, Jake L.","Photoswitchable imines: aryliminopyrazoles quantitatively convert to long-lived <i>Z</i>-isomers with visible light.","Chemical science","2024","15","11","3872","3878","10.1039/d3sc05841g","","","1.54178","CuKα","","0.0487","0.0421","","","0.1045","0.11","","","","","","1.047","","","","has coordinates,has disorder","290855","2024-04-04","22:50:42",""
"1571000","15.1269","0.0003","10.50172","0.00017","16.1559","0.0003","90","","101.425","0.0019","90","","2515.65","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Fe N9 O4 Pt -","- C23 H23 Fe N9 O4 Pt -","- C92 H92 Fe4 N36 O16 Pt4 -","4","1","","Shi, Huayun; Ponte, Fortuna; Grewal, Jaspreet S.; Clarkson, Guy J.; Imberti, Cinzia; Hands-Portman, Ian; Dallmann, Robert; Sicilia, Emilia; Sadler, Peter J.","Tuning the photoactivated anticancer activity of Pt(iv) compounds <i>via</i> distant ferrocene conjugation.","Chemical science","2024","15","11","4121","4134","10.1039/d3sc03092j","","x-ray","0.71073","MoKα","","0.032","0.0251","","","0.0461","0.0487","","","","","","1.047","","","","has coordinates","290857","2024-04-04","22:51:01",""
"1571003","11.04","0.002","14.175","0.003","21.29","0.005","106.479","0.004","93.058","0.004","106.77","0.004","3025.6","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H94.96 Fe2 N6 Na2 O3 Si3 -","- C54 H94.962 Fe2 N6 Na2 O3 Si3 -","- C108 H189.924 Fe4 N12 Na4 O6 Si6 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0617","0.0396","","","0.0847","0.0926","","","","","","1.015","","","","has coordinates,has disorder","292936","2024-07-05","15:10:39",""
"1571004","10.6298","0.0008","11.1655","0.0009","23.6682","0.0018","98.248","0.002","101.941","0.002","101.506","0.002","2642.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H78 Fe2 N7 Si3 Zn -","- C50 H78 Fe2 N7 Si3 Zn -","- C100 H156 Fe4 N14 Si6 Zn2 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.40651","synchrotron","","0.0512","0.0441","","","0.1067","0.1106","","","","","","1.094","","","","has coordinates","292936","2024-07-05","15:10:41",""
"1571005","15.1571","0.0007","21.489","0.0011","16.3741","0.0008","90","","93.577","0.001","90","","5322.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H69 F6 Fe3 N7 Si3 -","- C50 H69 F6 Fe3 N7 Si3 -","- C200 H276 F24 Fe12 N28 Si12 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.1085","0.0664","","","0.1648","0.1941","","","","","","1.019","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571006","10.4451","0.0012","27.261","0.003","21.186","0.003","90","","102.166","0.004","90","","5897.1","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88.5 Fe3 N7 O1.75 Si3 -","- C54 H88.5 Fe3 N7 O1.75 Si3 -","- C216 H354 Fe12 N28 O7 Si12 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.41328","synchrotron","","0.0636","0.0421","","","0.0978","0.1073","","","","","","1.042","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571007","12.4239","0.001","14.2358","0.0012","19.0442","0.0016","109.643","0.0017","95.5642","0.0018","102.049","0.0018","3050.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H76 Fe2 N8 Si3 Zn -","- C53 H76 Fe1.943 N8 Si3 Zn0.9702 -","- C106 H152 Fe3.886 N16 Si6 Zn1.9404 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.40651","synchrotron","","0.0497","0.0368","","","0.0898","0.0967","","","","","","1.019","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571008","12.3372","0.0006","14.5673","0.0007","19.6915","0.001","76.058","0.001","73.437","0.001","79.142","0.001","3264.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H74 F5.93 Fe2 N8 Si3 Zn -","- C55 H74 F6.006 Fe2 N8 Si3 Zn -","- C110 H148 F12.012 Fe4 N16 Si6 Zn2 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0456","0.0325","","","0.0713","0.0764","","","","","","1.031","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571009","27.053","0.004","19.227","0.003","27.643","0.004","90","","90","","90","","14378","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl Fe2 N7 Si3 Zn -","- C58 H102 Cl Fe2.0001 N7 Si3 Zn0.9999 -","- C464 H816 Cl8 Fe16.0008 N56 Si24 Zn7.9992 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0954","0.0563","","","0.1149","0.1307","","","","","","1.021","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571010","11.9733","0.0005","26.257","0.0009","26.2043","0.001","90","","100.148","0.001","90","","8109.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73.76 H108 Co F6 Fe3 N7 O Si3 -","- C73.734 H108 Co F6 Fe3 N7 O Si3 -","- C294.936 H432 Co4 F24 Fe12 N28 O4 Si12 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.151","0.0695","","","0.149","0.179","","","","","","1.023","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571011","22.15","0.004","20.383","0.003","26.428","0.004","90","","101.975","0.003","90","","11672","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H71 Fe2 N7 Si3 Zn -","- C48 H71 Fe2.0001 N7 Si3 Zn0.9999 -","- C384 H568 Fe16.0008 N56 Si24 Zn7.9992 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0958","0.0683","","","0.1359","0.1453","","","","","","1.126","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571012","10.3835","0.0018","18.015","0.002","30.663","0.007","90","","91.703","0.006","90","","5733.2","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Fe2 N6 O Si3 Zn -","- C52 H88 Fe2 N6 O Si3 Zn -","- C208 H352 Fe8 N24 O4 Si12 Zn4 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.40659","synchrotron","","0.1148","0.0593","","","0.1276","0.148","","","","","","1.015","","","","has coordinates","292936","2024-07-05","15:10:41",""
"1571013","27.1744","0.0009","19.1482","0.0007","27.5979","0.001","90","","90","","90","","14360.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl N7 Si3 Zn3 -","- C58 H102 Cl N7 Si3 Zn3 -","- C464 H816 Cl8 N56 Si24 Zn24 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0528","0.0332","","","0.0721","0.0791","","","","","","1.028","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571014","26.839","0.003","19.358","0.002","27.601","0.004","90","","90","","90","","14340","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H100 Cl Fe3 N7 Si3 -","- C57 H100 Cl Fe3 N7 Si3 -","- C456 H800 Cl8 Fe24 N56 Si24 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0574","0.0426","","","0.1161","0.1258","","","","","","1.04","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571015","15.4746","0.0007","23.8238","0.0011","27.1431","0.0013","78.401","0.001","74.315","0.001","83.137","0.001","9414.8","0.8","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C78.5 H131.25 F6 Fe2.1 K N9 O8.62 Si3 Zn0.9 -","- C78.5 H131.25 F6 Fe2.073 K N9 O8.625 Si3 Zn0.927 -","- C314 H525 F24 Fe8.292 K4 N36 O34.5 Si12 Zn3.708 -","4","2","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.41328","synchrotron","","0.0838","0.0548","","","0.1373","0.1538","","","","","","1.026","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571016","9.2895","0.0006","9.5681","0.0006","12.3723","0.0007","93.065","0.003","108.756","0.003","118.62","0.003","885.12","0.1","100","2","99.8","","","","","","","","","4","P 1","P 1","1","","","","- C20 H54 O2 Si8 -","- C20 H54 O2 Si8 -","- C20 H54 O2 Si8 -","1","1","","Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael","Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.","Chemical science","2024","15","12","4427","4433","10.1039/d4sc00064a","","","0.71073","MoKα","","0.0803","0.0592","","","0.1456","0.1631","","","","","","1.029","","","","has coordinates,has disorder","290862","2024-04-04","22:53:20",""
"1571017","9.377","0.005","9.613","0.007","11.879","0.007","70.53","0.02","71.722","0.015","61.483","0.015","871.5","1","100","2","99.68","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H27 O Si4 -","- C10 H27 O Si4 -","- C20 H54 O2 Si8 -","2","1","","Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael","Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.","Chemical science","2024","15","12","4427","4433","10.1039/d4sc00064a","","","0.71073","MoKα","","0.1075","0.0727","","","0.1988","0.2205","","","","","","1.052","","","","has coordinates","290862","2024-04-04","22:53:21",""
"1571025","14.0041","0.0015","18.81","0.002","15.8824","0.0016","90","","112.93","0.004","90","","3853.1","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 B2 Mo N10 -","- C33 H33 B2 Mo N10 -","- C132 H132 B8 Mo4 N40 -","4","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0374","0.0281","","","0.0784","0.0856","","","","","","1.05","","","","has coordinates,has disorder","291576","2024-05-05","01:52:55",""
"1571026","9.4559","0.0002","13.3234","0.0002","15.6012","0.0004","105.885","0.001","98.659","0.002","93.937","0.002","1856.39","0.07","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H45.01 B2 Li N9 O1.5 -","- C38 H44.996 B2 Li N9 O1.498 -","- C76 H89.992 B4 Li2 N18 O2.996 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0763","0.0701","","","0.1867","0.1929","","","","","","1.047","","","","has coordinates,has disorder","291576","2024-05-05","01:53:02",""
"1571027","25.3294","0.0009","25.3294","0.0009","25.1795","0.0014","90","","90","","90","","16154.6","1.2","173.15","","173.15","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C173 H162 B8 Mo4 N38 -","- C173 H162 B8 Mo4 N38 -","- C692.002 H648 B32 Mo16 N152 -","4","0.25","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0463","0.0347","","","0.085","0.0935","","","","","","1.084","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571028","8.9517","0.0007","15.7349","0.0013","17.3073","0.0013","70.272","0.004","85.441","0.004","80.569","0.005","2262.9","0.3","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H33 B2 F6 Mo N10 O4 S2 -","- C35 H33 B2 F6 Mo N10 O4 S2 -","- C70 H66 B4 F12 Mo2 N20 O8 S4 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0554","0.0493","","","0.1442","0.153","","","","","","1.104","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571029","17.5414","0.0008","23.6171","0.001","20.4202","0.0009","90","","90.386","0.003","90","","8459.4","0.6","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H78 B4 F6 Mo2 N20 O4 S2 -","- C81.5 H78 B4 F6 Mo2 N20 O4 S2 -","- C326 H312 B16 F24 Mo8 N80 O16 S8 -","4","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0992","0.0658","","","0.1663","0.1875","","","","","","1.147","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571030","17.6807","0.0012","18.6634","0.0011","19.4278","0.0011","90.335","0.004","112.023","0.004","100.578","0.004","5822.4","0.6","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C214.12 H164.64 Al2 B8 F72 Mo4 N39.27 O8 -","- C214.164 H164.654 Al2 B8 F72 Mo4 N39.272 O8 -","- C214.164 H164.654 Al2 B8 F72 Mo4 N39.272 O8 -","1","0.5","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.1431","0.1009","","","0.2662","0.317","","","","","","1.063","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571031","15.601","0.003","19.921","0.004","12.437","0.003","90","","110.709","0.003","90","","3615.5","1.3","173","2","173.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C35 H37 B2 Cl3.25 Mo N9 -","- C34.5 H37 B2 Cl3.25 Mo N9 -","- C138 H148 B8 Cl13 Mo4 N36 -","4","0.5","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","0.71073","MoKα","","0.0607","0.0447","","","0.1095","0.1185","","","","","","1.063","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571032","16.5897","0.0011","18.7404","0.0012","24.0681","0.0016","109.516","0.004","91.769","0.004","114.335","0.004","6301.2","0.8","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C109 H94 Al B4 F36 Mo2 N20 O4 -","- C109 H94 Al B4 F36 Mo2 N20 O4 -","- C218 H188 Al2 B8 F72 Mo4 N40 O8 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.1056","0.0761","","","0.2083","0.2359","","","","","","1.022","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571033","16.1437","0.0006","23.4937","0.0008","20.896","0.0007","90","","94.907","0.002","90","","7896.3","0.5","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H12 Al F36 Fe O5 -","- C28 H12 Al F36 Fe O5 -","- C224 H96 Al8 F288 Fe8 O40 -","8","2","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.1112","0.0652","","","0.1611","0.1893","","","","","","1.042","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571034","14.9038","0.0003","17.3373","0.0004","17.7556","0.0004","61.896","0.001","75.415","0.001","80.14","0.002","3909.1","0.15","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H53 Al B2 F36 Mo N11 O4 -","- C68 H53 Al B2 F36 Mo N11 O4 -","- C136 H106 Al2 B4 F72 Mo2 N22 O8 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0713","0.0676","","","0.189","0.1942","","","","","","1.029","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571035","15.1157","0.0015","25.2386","0.0019","12.3932","0.001","90","","102.171","0.006","90","","4621.7","0.7","173.15","","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 B2 F6 Mo N11 O4 S2 -","- C35 H36 B2 F6 Mo N11 O4 S2 -","- C140 H144 B8 F24 Mo4 N44 O16 S8 -","4","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0868","0.0569","","","0.1524","0.1914","","","","","","1.105","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571036","15.9395","0.0009","18.5574","0.0008","18.9383","0.0009","116.155","0.002","90.495","0.002","98.658","0.002","4953.2","0.4","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C84 H66 Al B4 F36 Mo2 N19 O4 -","- C84 H66 Al B4 F36 Mo2 N19 O4 -","- C168 H132 Al2 B8 F72 Mo4 N38 O8 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0658","0.0554","","","0.1453","0.1559","","","","","","1.029","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571037","14.8333","0.001","17.305","0.0012","33.81","0.003","99.265","0.005","99.28","0.005","100.583","0.005","8255.3","1.1","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C271 H246 Al4 B8 F144 Mo4 N44 O16 -","- C271 H246 Al4 B8 F144 Mo4 N44 O16 -","- C271 H246 Al4 B8 F144 Mo4 N44 O16 -","1","0.5","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.159","0.1193","","","0.2886","0.3241","","","","","","1.061","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571039","18.3338","0.0005","25.9671","0.0007","37.9645","0.0008","90","","90","","90","","18074","0.8","99.99","0.1","99.99","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C122 H94 O24 -","- C122 H94 O24 -","- C488 H376 O96 -","4","0.5","","Xi, Xiao-Juan; Li, Yang; Lang, Feifan; Pang, Jiandong; Bu, Xian-He","Reticular synthesis of 8-connected carboxyl hydrogen-bonded organic frameworks for white-light-emission.","Chemical science","2024","15","12","4529","4537","10.1039/d3sc06410g","","x-ray","1.54184","CuKα","","0.1348","0.1155","","","0.3421","0.3628","","","","","","1.382","","","","has coordinates,has disorder","290867","2024-04-04","22:57:51",""
"1571040","18.3974","0.0003","26.3784","0.0003","37.7312","0.0004","90","","90","","90","","18310.7","0.4","99.98","0.1","99.98","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C116 H82 O24 -","- C116 H82 O24 -","- C464 H328 O96 -","4","0.5","","Xi, Xiao-Juan; Li, Yang; Lang, Feifan; Pang, Jiandong; Bu, Xian-He","Reticular synthesis of 8-connected carboxyl hydrogen-bonded organic frameworks for white-light-emission.","Chemical science","2024","15","12","4529","4537","10.1039/d3sc06410g","","x-ray","1.54184","CuKα","","0.1221","0.1085","","","0.323","0.341","","","","","","1.361","","","","has coordinates,has disorder","290867","2024-04-04","22:57:51",""
"1571041","8.6659","0.0005","11.1071","0.0006","14.7913","0.0008","76.376","0.005","86.941","0.004","72.404","0.005","1318.66","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H54 N Si2 -","- C24 H54 N Si2 -","- C48 H108 N2 Si4 -","2","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.036","0.0321","","","0.0858","0.0894","","","","","","1.048","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571042","10.782","0.0002","15.4196","0.0003","23.653","0.0004","80.1846","0.0015","78.8889","0.0016","83.583","0.0015","3789.53","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C44 H94 K N O8 Si2 -","- C44 H94 K N O8 Si2 -","- C132 H282 K3 N3 O24 Si6 -","3","1.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0486","0.042","","","0.1123","0.12","","","","","","1.022","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571043","11.47464","0.00007","11.47464","0.00007","21.21699","0.00017","90","","90","","90","","2793.59","0.03","100","0.6","100","0.6","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H54 Cs N Si2 -","- C24 H54 Cs N Si2 -","- C96 H216 Cs4 N4 Si8 -","4","0.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0179","0.0176","","","0.0449","0.0451","","","","","","1.049","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571044","9.0304","0.0001","26.9733","0.0003","17.9436","0.0002","90","","96.548","0.001","90","","4342.19","0.08","100","0.6","100","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H85 Li N4 O Si2 -","- C37 H85 Li N4 O Si2 -","- C148 H340 Li4 N16 O4 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0414","0.039","","","0.1053","0.1077","","","","","","1.041","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571045","37.2445","0.0004","8.91795","0.00008","16.82946","0.00017","90","","102.894","0.001","90","","5448.87","0.1","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H50 Li N Si2 -","- C25 H50 Li N Si2 -","- C200 H400 Li8 N8 Si16 -","8","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0304","0.0296","","","0.0764","0.0771","","","","","","1.024","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571046","10.0842","0.0002","16.5825","0.0003","13.3677","0.0002","90","","104.184","0.002","90","","2167.22","0.07","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Li N Si2 -","- C18 H42 Li N Si2 -","- C72 H168 Li4 N4 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0365","0.0324","","","0.0831","0.0861","","","","","","1.031","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571047","20.1783","0.0002","12.98186","0.00013","25.395","0.0003","90","","106.455","0.0012","90","","6379.8","0.12","100","0.6","100","0.6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H118 I N O8 Si2 Sr -","- C56 H118 I N O8 Si2 Sr -","- C224 H472 I4 N4 O32 Si8 Sr4 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0289","0.0268","","","0.067","0.0687","","","","","","1.057","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571048","16.7968","0.0004","16.8461","0.0003","23.1147","0.0005","90","","106.935","0.002","90","","6256.9","0.2","99.97","0.11","99.97","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H112.49 Mg N3 O2 Si2 -","- C61 H112.49 Mg N3 O2 Si2 -","- C244 H449.96 Mg4 N12 O8 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.063","0.054","","","0.1614","0.1646","","","","","","1.128","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571049","20.1279","0.0003","26.8869","0.0004","17.1171","0.0003","90","","90.741","0.002","90","","9262.6","0.3","100","0.4","100","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H86 Li N O8 Si2 -","- C40 H86 Li N O8 Si2 -","- C320 H688 Li8 N8 O64 Si16 -","8","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.062","0.0562","","","0.1518","0.1566","","","","","","1.091","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571050","14.353","0.0004","17.6841","0.0007","8.9669","0.0003","90","","90","","90","","2275.98","0.13","100","0.6","100","0.6","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H42 Cs N Si2 -","- C18 H42 Cs N Si2 -","- C72 H168 Cs4 N4 Si8 -","4","0.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","0.71073","MoKα","","0.031","0.0234","","","0.0513","0.0554","","","","","","1.048","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571051","20.286","0.0004","14.13261","0.00017","17.3397","0.0003","90","","113.967","0.002","90","","4542.57","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H78 Cs N Si2 -","- C45 H78 Cs N Si2 -","- C180 H312 Cs4 N4 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","0.71073","MoKα","","0.0331","0.0257","","","0.0568","0.0603","","","","","","1.057","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571052","11.12464","0.00016","14.7718","0.0002","17.2761","0.0003","86.9319","0.0012","72.3912","0.0013","76.3044","0.0013","2628.53","0.07","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H54 Li N Si2 -","- C24 H54 Li N Si2 -","- C96 H216 Li4 N4 Si8 -","4","4","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0445","0.0395","","","0.1076","0.1132","","","","","","1.042","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571053","11.8092","0.0003","6.61169","0.00013","18.3462","0.0004","90","","92.755","0.002","90","","1430.79","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Voloshkin, Vladislav A.; Villa, Marco; Martynova, Ekaterina A.; Beliš, Marek; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Synthesis of cyclobutane-fused chromanones <i>via</i> gold-mediated photocatalysis.","Chemical science","2024","15","12","4571","4580","10.1039/d3sc06675d","","x-ray","1.54184","CuKα","","0.0441","0.0405","","","0.1073","0.1118","","","","","","1.035","","","","has coordinates","290866","2024-04-04","22:57:36",""
"1571054","20.6949","0.0008","21.4736","0.0008","37.0898","0.0017","86.138","0.003","75.416","0.003","77.503","0.002","15572","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H88 O8 S4 -","- C80 H88 O8 S4 -","- C720 H792 O72 S36 -","9","4.5","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.1787","0.098","","","0.2582","0.3229","","","","","","1.022","","","","has coordinates","290873","2024-04-04","22:59:50",""
"1571055","19.1086","0.0004","21.5706","0.0005","22.0668","0.0006","107.294","0.001","108.154","0.001","109.712","0.001","7266.8","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C176 H176 O16 S8 -","- C176 H176 O16 S8 -","- C352 H352 O32 S16 -","2","1","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.1232","0.0632","","","0.1549","0.1877","","","","","","0.995","","","","has coordinates,has disorder","290873","2024-04-04","22:59:50",""
"1571056","36.5768","0.0008","36.5768","0.0008","36.5768","0.0008","90","","90","","90","","48934.7","1.9","170","2","170","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","MS6T@C70","","- C310 H264 O24 S12 -","- C310.014 H264 O24 S12 -","- C2480.11 H2112 O192 S96 -","8","0.166667","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.2527","0.1824","","","0.4436","0.5144","","","","","","1.586","","","","has coordinates,has disorder","290873","2024-04-04","22:59:50",""
"1571057","19.7811","0.0006","21.1752","0.0006","22.0693","0.0006","78.003","0.001","84.786","0.002","86.057","0.002","8993","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","MS6T@C60","","- C273.75 H136 O12 S6.5 -","- C273.75 H136 O12 S6.5 -","- C547.5 H272 O24 S13 -","2","1","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.212","0.1787","","","0.4833","0.5162","","","","","","2.202","","","","has coordinates,has disorder","290873","2024-04-04","22:59:50",""
"1571058","12.0996","0.0009","15.2353","0.0012","17.5608","0.0012","105.518","0.003","90.022","0.003","94.87","0.003","3107","0.4","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H45 B11 N4 Si2 -","- C20 H45 B11 N4 Si2 -","- C80 H180 B44 N16 Si8 -","4","2","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","","0.71073","MoKα","","0.1314","0.0947","","","0.2072","0.2209","","","","","","1.093","","","","has coordinates","290843","2024-04-04","22:47:52",""
"1571059","10.099","0.0002","10.6588","0.0001","13.6478","0.0002","85.581","0.001","72.43","0.001","72.345","0.001","1334.42","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H31 B11 Cl2 N4 Si2 -","- C14 H31 B11 Cl2 N4 Si2 -","- C28 H62 B22 Cl4 N8 Si4 -","2","1","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","x-ray","1.54184","CuKα","K-L~2,3~","0.031","0.0295","","","0.0817","0.0832","","","","","","1.07","","","","has coordinates","290843","2024-04-04","22:47:53",""
"1571060","18.6315","0.0018","11.0376","0.001","22.7392","0.0017","90","","108.033","0.003","90","","4446.5","0.7","99.99","","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H63 B22 N5 Si4 -","- C23 H63 B22 N5 Si4 -","- C92 H252 B88 N20 Si16 -","4","1","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","","0.71073","MoKα","","0.0795","0.0457","","","0.1158","0.1297","","","","","","1.076","","","","has coordinates","290843","2024-04-04","22:47:53",""
"1571061","9.9271","0.0003","24.775","0.0006","10.7243","0.0003","90","","109.394","0.001","90","","2487.91","0.12","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H37 B11 N2 Si3 -","- C11 H37 B11 N2 Si3 -","- C44 H148 B44 N8 Si12 -","4","1","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","","0.71073","MoKα","","0.0357","0.0316","","","0.0822","0.0854","","","","","","1.049","","","","has coordinates","290843","2024-04-04","22:47:53",""
"1571062","9.2271","0.0006","10.9005","0.0005","18.1246","0.0012","87.183","0.002","85.142","0.003","77.257","0.002","1770.81","0.18","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H38 B N O -","- C49 H38 B N O -","- C98 H76 B2 N2 O2 -","2","1","","Li, Chuan; Zhang, Kai; Luo, Yanju; Yang, Yang; Huang, Yong; Jia, Mengjiao; He, Yuling; Lei, Yue; Tang, Jian-Xin; Huang, Yan; Lu, Zhiyun","Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework.","Chemical science","2024","15","13","4790","4796","10.1039/d3sc06763g","","","0.71073","MoKα","","0.0872","0.0511","","","0.1125","0.1293","","","","","","1.013","","","","has coordinates","290844","2024-04-04","22:48:03",""
"1571063","18.072","0.003","9.2591","0.0016","42.868","0.008","90","","93.026","0.011","90","","7163","2","150","2","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 B N O S -","- C48 H38 B N O S -","- C384 H304 B8 N8 O8 S8 -","8","1","","Li, Chuan; Zhang, Kai; Luo, Yanju; Yang, Yang; Huang, Yong; Jia, Mengjiao; He, Yuling; Lei, Yue; Tang, Jian-Xin; Huang, Yan; Lu, Zhiyun","Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework.","Chemical science","2024","15","13","4790","4796","10.1039/d3sc06763g","","","0.71073","MoKα","","0.127","0.0786","","","0.1906","0.2243","","","","","","1.047","","","","has coordinates","290844","2024-04-04","22:48:03",""
"1571064","10.1637","0.0006","19.7936","0.0011","25.9343","0.0016","90","","90","","90","","5217.4","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Br2 N4 O -","- C27 H24 Br2 N4 O -","- C216 H192 Br16 N32 O8 -","8","1","","Ballav, Nityananda; Saha, Shib Nath; Yadav, Shailesh; Baidya, Mahiuddin","Three-component dicarbofunctionalization of allylamines <i>via</i> nucleopalladation pathway: unlocking vicinal and geminal selectivity.","Chemical science","2024","15","13","4890","4896","10.1039/d4sc00607k","","","0.71073","MoKα","","0.0903","0.0531","","","0.1253","0.1443","","","","","","1.048","","","","has coordinates","290848","2024-04-04","22:49:12",""
"1571065","22.8453","0.0003","23.793","0.0003","26.4043","0.0003","90","","90","","90","","14352.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H204 Au12 Cd2 S12 -","- C120 H204 Au12 Cd2 S12 -","- C480 H816 Au48 Cd8 S48 -","4","1","","Zhou, Jun; Yang, Xiaofei; Zheng, Peisen; Li, Qinzhen; Li, Xiaowu; Chai, Jinsong; Huang, Baoyu; Yang, Sha; Zhu, Manzhou","Construction of an Au<sub>12</sub>Cd<sub>2</sub> nanocluster with circularly polarized luminescence by a metal- and ligand-exchange strategy.","Chemical science","2024","15","13","4853","4859","10.1039/d3sc06810b","","","1.54186","CuKα","","0.0847","0.0656","","","0.1691","0.1769","","","","","","0.974","","","","has coordinates","290846","2024-04-04","22:48:48",""
"1571066","19.1684","0.0003","27.7216","0.0003","28.1292","0.0004","90","","98.324","0.001","90","","14789.8","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H204 Au12 Cd2 S12 -","- C120 H204 Au12 Cd2 S12 -","- C480 H816 Au48 Cd8 S48 -","4","2","","Zhou, Jun; Yang, Xiaofei; Zheng, Peisen; Li, Qinzhen; Li, Xiaowu; Chai, Jinsong; Huang, Baoyu; Yang, Sha; Zhu, Manzhou","Construction of an Au<sub>12</sub>Cd<sub>2</sub> nanocluster with circularly polarized luminescence by a metal- and ligand-exchange strategy.","Chemical science","2024","15","13","4853","4859","10.1039/d3sc06810b","","","1.54186","CuKα","","0.0958","0.0796","","","0.1967","0.2235","","","","","","1.008","","","","has coordinates","290846","2024-04-04","22:48:48",""
"1571067","22.888","0.003","9.0423","0.0011","17.724","0.002","90","","115.556","0.004","90","","3309.3","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cl2 I2 N6 O2 Zn -","- C26 H32 Cl2 I2 N6 O2 Zn -","- C104 H128 Cl8 I8 N24 O8 Zn4 -","4","0.5","","Sahoo, Sangita; Manna, Subarna; Rit, Arnab","Unravelling a bench-stable zinc-amide compound as highly active multitasking catalyst for radical-mediated selective alk(en)ylation of unactivated carbocycles under mild conditions.","Chemical science","2024","15","14","5238","5247","10.1039/d3sc06334h","","","0.71073","MoKα","","0.0932","0.0653","","","0.1688","0.1905","","","","","","0.984","","","","has coordinates","291574","2024-05-05","01:46:44",""
"1571069","14.3298","0.0001","27.6726","0.0002","18.9178","0.0002","90","","110.718","0.001","90","","7016.6","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H82 Fe2 K2 N6 O12 Pb9 -","- C46 H82 Fe2 K2 N6 O12 Pb9 -","- C184 H328 Fe8 K8 N24 O48 Pb36 -","4","1","","Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.","Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).","Chemical science","2024","15","13","4981","4988","10.1039/d4sc00165f","","x-ray","1.54184","CuKα","","0.0665","0.0597","","","0.1603","0.1658","","","","","","1.017","","","","has coordinates","290847","2024-04-04","22:49:03",""
"1571070","14.3074","0.0001","27.4645","0.0002","18.8056","0.0001","90","","110.678","0.001","90","","6913.54","0.09","100.01","0.11","100.01","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H164 Fe4 K4 N12 O24 Sn18 -","- C92 H164 Fe4 K4 N12 O24 Sn18 -","- C184 H328 Fe8 K8 N24 O48 Sn36 -","2","0.5","","Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.","Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).","Chemical science","2024","15","13","4981","4988","10.1039/d4sc00165f","","x-ray","1.54184","CuKα","","0.0472","0.0368","","","0.0886","0.0921","","","","","","1.016","","","","has coordinates,has disorder","290847","2024-04-04","22:49:04",""
"1571071","15.7369","0.0002","15.9735","0.0003","16.6129","0.0002","107.761","0.0014","97.0389","0.0012","112.88","0.0015","3522.99","0.11","129.99","0.1","129.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H86 Fe2 K2 N6 O14 Sn9 -","- C42 H86 Fe2 K2 N6 O14 Sn9 -","- C84 H172 Fe4 K4 N12 O28 Sn18 -","2","1","","Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.","Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).","Chemical science","2024","15","13","4981","4988","10.1039/d4sc00165f","","x-ray","1.54184","CuKα","","0.0568","0.0518","","","0.1385","0.1423","","","","","","1.034","","","","has coordinates","290847","2024-04-04","22:49:04",""
"1571072","10.8789","0.0002","8.8689","0.0001","11.6944","0.0002","90","","110.898","0.001","90","","1054.1","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C54 H50 N2 O4 -","2","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.0324","0.0317","","","0.0835","0.0842","","","","","","1.039","","","","has coordinates","290845","2024-04-04","22:48:14",""
"1571073","6.0177","0.0001","14.5243","0.0003","23.7109","0.0005","90","","90","","90","","2072.4","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.0382","0.035","","","0.0809","0.0824","","","","","","1.044","","","","has coordinates","290845","2024-04-04","22:48:24",""
"1571074","8.7506","0.0002","9.999","0.0002","25.027","0.0006","90","","90","","90","","2189.79","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.037","0.0364","","","0.0951","0.0958","","","","","","1.054","","","","has coordinates","290845","2024-04-04","22:48:25",""
"1571075","12.3363","0.0001","22.0219","0.0002","24.3308","0.0003","90","","96.052","0.001","90","","6573.08","0.11","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H97 N4 O2 P2 -","- C72 H97 N4 O2 P2 -","- C288 H388 N16 O8 P8 -","4","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0637","0.0568","","","0.1624","0.1688","","","","","","1.041","","","","has coordinates","291575","2024-05-05","01:51:16",""
"1571076","30.4484","0.0002","15.1788","0.0001","14.0258","0.0001","90","","90","","90","","6482.31","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C71 H93 N5 O2 P2 -","- C71 H93 N5 O2 P2 -","- C284 H372 N20 O8 P8 -","4","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0341","0.0331","","","0.0888","0.0895","","","","","","1.034","","","","has coordinates","291575","2024-05-05","01:51:24",""
"1571077","15.1726","0.0002","16.6364","0.0002","21.9306","0.0002","103.617","0.001","108.01","0.001","91.825","0.001","5083.56","0.11","149.98","0.1","149.98","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C107 H107 B F24 N4 O2 P2 S -","- C107 H107 B F24 N4 O2 P2 S -","- C214 H214 B2 F48 N8 O4 P4 S2 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0906","0.0779","","","0.2159","0.2269","","","","","","1.072","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571078","12.9969","0.0005","20.0236","0.0007","20.1523","0.0007","106.472","0.002","101.18","0.002","96.412","0.002","4855.8","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C101 H102 B F24 N4 O2 P2 -","- C101 H102 B F23.9994 N4 O2 P2 -","- C202 H204 B2 F47.9988 N8 O4 P4 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","","0.71073","MoKα","","0.1929","0.089","","","0.1776","0.2327","","","","","","1.024","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571079","14.7749","0.0002","16.5982","0.0002","20.9941","0.0002","72.259","0.001","77.193","0.001","89.943","0.001","4769.4","0.1","103","5","103","5","","","","","","","","7","P -1","-P 1","2","","","","- C195 H203 B2 F48 N8 O8 P4 -","- C195 H203 B2 F48 N8 O8 P4 -","- C195 H203 B2 F48 N8 O8 P4 -","1","0.5","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0693","0.0606","","","0.1649","0.1718","","","","","","1.044","","","","has coordinates","291575","2024-05-05","01:51:27",""
"1571080","26.0037","0.0008","13.0979","0.0003","40.762","0.0009","90","","95.402","0.002","90","","13821.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C300 H380 F4 N16 O8 P8 S4 -","- C300 H380 F4 N16 O8 P8 S4 -","- C600 H760 F8 N32 O16 P16 S8 -","2","0.5","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0995","0.072","","","0.198","0.2158","","","","","","1.053","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571081","13.4882","0.0006","17.4109","0.0007","22.772","0.0009","87.067","0.002","73.3","0.002","89.995","0.002","5115","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C100 H108 B F24 N4 O4 P2 Si -","- C100 H108 B F24 N4 O4 P2 Si -","- C200 H216 B2 F48 N8 O8 P4 Si2 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","","0.71073","MoKα","","0.0787","0.0638","","","0.1761","0.1867","","","","","","1.08","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571082","12.4929","0.0002","18.7651","0.0003","22.0705","0.0002","106.62","0.001","95.643","0.001","92.863","0.001","4917.25","0.12","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C102 H104 B F24 N7 O2 P2 -","- C102 H104 B F24 N7 O2 P2 -","- C204 H208 B2 F48 N14 O4 P4 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.1259","0.0953","","","0.2679","0.2913","","","","","","1.08","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571083","8.4826","0.0008","17.7973","0.0016","37.589","0.005","90","","90","","90","","5674.7","1.1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Au B P -","- C30 H45 Au B P -","- C240 H360 Au8 B8 P8 -","8","1","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","0.71073","MoKα","","0.0337","0.0224","","","0.0495","0.0528","","","","","","1.038","","","","has coordinates","291577","2024-05-05","01:53:50",""
"1571084","9.572","0.0004","39.2345","0.0015","15.7352","0.0006","90","","95.739","0.002","90","","5879.8","0.4","193","2","193","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C50 H80 Au2 B2 Cl F6 N O4 P2 S2 -","- C50 H80 Au2 B2 Cl F6 N O4 P2 S2 -","- C200 H320 Au8 B8 Cl4 F24 N4 O16 P8 S8 -","4","1","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","1.54178","CuKα","","0.0274","0.0271","","","0.0676","0.0678","","","","","","1.087","","","","has coordinates","291577","2024-05-05","01:53:56",""
"1571085","10.8707","0.0011","11.6793","0.0012","48.43","0.005","89.013","0.002","86.081","0.002","85.987","0.002","6118.9","1.1","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H85 Au2 B2 F6 N O4 P2 S2 -","- C56 H85 Au2 B2 F6 N O4 P2 S2 -","- C224 H340 Au8 B8 F24 N4 O16 P8 S8 -","4","2","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","0.71073","MoKα","","0.1192","0.0566","","","0.0973","0.1203","","","","","","1.02","","","","has coordinates,has disorder","291577","2024-05-05","01:53:56",""
"1571091","13.5866","0.0008","25.3514","0.0014","28.7868","0.0015","90","","90","","90","","9915.3","1","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","HIAM-4040","","- C33 H15 N2 O32 Zr6 -","- C33 H15 N2 O32 Zr6 -","- C132 H60 N8 O128 Zr24 -","4","1","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.34139","GaKα","","0.0512","0.0383","","","0.0878","0.092","","","","","","0.913","","","","has coordinates","290044","2024-03-04","02:09:41",""
"1571092","25.437","0.002","28.85","0.002","12.9217","0.0011","90","","90","","90","","9482.7","1.3","193","","193","","","","","","","","","5","I m m a","-I 2b 2","74","","HIAM-4040-OH-EtOH","","- C33 H20 N2 O27 Zr6 -","- C33 H20 N2 O27 Zr6 -","- C132 H80 N8 O108 Zr24 -","4","0.25","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.1433","0.103","","","0.2936","0.3269","","","","","","1.04","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571093","28.527","0.006","25.427","0.004","13.449","0.003","90","","90","","90","","9755","3","323","","323","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-323K","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.54178","CuKα","","0.0928","0.0694","","","0.186","0.2078","","","","","","0.93","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571094","28.6081","0.0013","25.3758","0.0013","13.7747","0.0007","90","","90","","90","","9999.8","0.9","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.1123","0.0734","","","0.1763","0.1972","","","","","","1.059","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571095","28.822","0.003","25.209","0.002","13.8069","0.0013","90","","90","","90","","10031.7","1.6","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-pH2","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.0816","0.0524","","","0.1387","0.1522","","","","","","1.038","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571096","28.8021","0.0013","25.366","0.0012","13.6242","0.0007","90","","90","","90","","9953.8","0.8","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-pH12","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.0739","0.0512","","","0.1391","0.1507","","","","","","1.037","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571097","28.5667","0.0011","25.4597","0.0008","13.5472","0.0007","90","","90","","90","","9852.9","0.7","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-293K","","- C33 H15 N2 O33 Zr6 -","- C33 H15 N2 O33 Zr6 -","- C132 H60 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.54178","CuKα","","0.0563","0.0431","","","0.1264","0.1342","","","","","","1.078","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571098","10.7927","0.0006","9.9495","0.0006","10.0194","0.0006","90","","90","","90","","1075.9","0.11","293","","293","","0.282","","","","","","synthesised in the lab","5","C c c m","-C 2 2c","66","RbCuCo","rubidium copper hexacyanocobaltate","","- C5.52 Co0.92 Cu N5.52 Rb0.9 -","- C5.52 Co0.92 Cu N5.52 Rb0.9 -","- C22.08 Co3.68 Cu4 N22.08 Rb3.6 -","4","0.25","","Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.","The pressure response of Jahn-Teller-distorted Prussian blue analogues.","Chemical science","2024","15","9","3155","3164","10.1039/d3sc06912e","powder diffraction","","","Neutron","","","","","","","","","1.27981","0.00628","","","","","","","has coordinates","290045","2024-03-04","02:10:14",""
"1571099","7.1046","0.0002","7.1046","0.0002","10.8768","0.0005","90","","90","","90","","549.01","0.03","293","","293","","0.096","","","","","","synthesised in the lab","5","I -4 m 2","I -4 -2","119","CsCuCo","cesium copper hexacyanocobaltate","","- C5.7 Co0.95 Cs0.857 Cu N5.7 -","- C5.7 Co0.95 Cs0.857 Cu N5.7 -","- C11.4 Co1.9 Cs1.714 Cu2 N11.4 -","2","0.125","","Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.","The pressure response of Jahn-Teller-distorted Prussian blue analogues.","Chemical science","2024","15","9","3155","3164","10.1039/d3sc06912e","powder diffraction","","0.3757","synchrotron","","","","","","","","","2.37304","0.14728","","","","","","","has coordinates","290046","2024-03-04","02:10:27",""
"1571100","13.3713","0.0005","6.2669","0.0003","18.6934","0.0006","90","","91.481","0.002","90","","1565.92","0.11","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7,7-Difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.5]nonan-1-one","","- C15 H23 B F2 O3 -","- C15 H23 B F2 O3 -","- C60 H92 B4 F8 O12 -","4","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1044","0.0812","","","0.1906","0.2","","","","","","1.159","","","","has coordinates","290048","2024-03-04","02:11:46",""
"1571101","6.1465","0.0009","8.6888","0.0012","14.071","0.002","102.121","0.009","90.881","0.011","90.055","0.01","734.63","0.18","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","(2r,3r)-3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(thiophen-3-yl)cyclobutanone","","- C14 H19 B O3 S -","- C14 H19 B O3 S -","- C28 H38 B2 O6 S2 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1543","0.0706","","","0.1609","0.2018","","","","","","0.99","","","","has coordinates,has disorder","290048","2024-03-04","02:11:46",""
"1571102","10.847","0.004","6.213","0.002","11.06","0.003","90","","105.661","0.008","90","","717.7","0.4","273.15","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7-oxaspiro[3.5]nonan-1-one","","- C14 H23 B O4 -","- C14 H23 B O4 -","- C28 H46 B2 O8 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1045","0.0972","","","0.2727","0.2817","","","","","","1.177","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571103","9.489","0.002","14.273","0.003","11.565","0.003","90","","107.466","0.015","90","","1494.1","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-one","","- C14 H23 B O3 -","- C14 H23 B O3 -","- C56 H92 B4 O12 -","4","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1679","0.0829","","","0.2118","0.2449","","","","","","0.883","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571104","6.1342","0.0011","8.6448","0.0014","16.04","0.003","74.401","0.01","86.768","0.016","89.349","0.012","817.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","(2r,3r)-2-(4-Bromophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutanone","","- C16 H20 B Br O3 -","- C16 H20 B Br O3 -","- C32 H40 B2 Br2 O6 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1216","0.0768","","","0.2001","0.2234","","","","","","1.032","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571105","6.7371","0.0003","9.7392","0.0005","13.4409","0.0006","102.908","0.003","102.707","0.003","103.17","0.003","802.2","0.07","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.6]decan-1-one","","- C16 H27 B O3 -","- C16 H27 B O3 -","- C32 H54 B2 O6 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.058","0.0431","","","0.0975","0.1055","","","","","","1.035","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571106","6.9091","0.0009","16.369","0.002","15.729","0.002","90","","92.089","0.01","90","","1777.7","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-one","","- C19 H25 B O3 -","- C19 H25 B O3 -","- C76 H100 B4 O12 -","4","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1627","0.0706","","","0.127","0.1608","","","","","","1.003","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571146","11.8607","0.0003","11.8607","0.0003","39.8339","0.0019","90","","90","","90","","5603.7","0.3","130","","130","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C48 H40 F20 Mn O4 P2 Te4 -","- C48 H40 F20 Mn O4 P2 Te4 -","- C192 H160 F80 Mn4 O16 P8 Te16 -","4","0.25","","Pérez-Bitrián, Alberto; Munárriz, Julen; Krause, Konstantin B.; Schlögl, Johanna; Hoffmann, Kurt F.; Sturm, Johanna S.; Hadi, Amiera N.; Teutloff, Christian; Wiesner, Anja; Limberg, Christian; Riedel, Sebastian","Questing for homoleptic mononuclear manganese complexes with monodentate O-donor ligands.","Chemical science","2024","15","15","5564","5572","10.1039/d4sc00543k","","","0.71073","MoKα","","0.0393","0.0299","","","0.0644","0.0712","","","","","","1.133","","","","has coordinates","291585","2024-05-05","01:59:47",""
"1571147","4.9523","0.0002","9.0139","0.0004","14.5673","0.0007","100.404","0.002","92.408","0.002","94.706","0.002","636.36","0.05","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cl N2 O -","- C14 H17 Cl N2 O -","- C28 H34 Cl2 N4 O2 -","2","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","0.71073","MoKα","","0.0368","0.0341","","","0.0874","0.09","","","","","","1.046","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571148","5.0074","0.0004","9.0205","0.0007","15.1568","0.0013","80.365","0.003","89.851","0.003","84.042","0.003","671.24","0.09","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cl N2 S -","- C14 H17 Cl N2 S -","- C28 H34 Cl2 N4 S2 -","2","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","1.34139","GaKα","","0.0539","0.0491","","","0.125","0.1273","","","","","","1.14","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571149","11.4362","0.0006","11.6969","0.0006","10.4292","0.0006","90","","96.36","0.002","90","","1386.51","0.13","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Br Cl N2 O -","- C14 H15 Br Cl N2 O -","- C56 H60 Br4 Cl4 N8 O4 -","4","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","0.71073","MoKα","","0.0302","0.0281","","","0.0707","0.0722","","","","","","1.027","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571150","8.3944","0.0008","9.3978","0.0008","20.419","0.002","90","","90","","90","","1610.8","0.3","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","1.54178","CuKα","","0.0432","0.0431","","","0.1051","0.1052","","","","","","1.187","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571151","14.3914","0.0001","14.9401","0.0001","33.6959","0.0002","90","","91.185","0.001","90","","7243.37","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","hydroquinone_PDI_macrocycle","","- C66.83 H62.68 Cl2.49 N8 O6 -","- C66.83 H62.68 Cl2.49 N8 O6 -","- C267.32 H250.72 Cl9.96 N32 O24 -","4","1","","Yeung, Angus; Zwijnenburg, Martijn A.; Orton, Georgia R. F.; Robertson, Jennifer H.; Barendt, Timothy A.","Investigating the diastereoselective synthesis of a macrocycle under Curtin-Hammett control.","Chemical science","2024","15","15","5516","5524","10.1039/d3sc05715a","","x-ray","1.54184","CuKα","","0.0882","0.0829","","","0.2357","0.2406","","","","","","1.014","","","","has coordinates,has disorder","291586","2024-05-05","02:01:03",""
"1571157","12.5967","0.0002","12.8747","0.0002","15.6198","0.0003","72.566","0.002","69.811","0.001","75.602","0.001","2238.3","0.07","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C102 H102 N6 O24 -","6","3","","Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.","The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions","Chemical Science","2024","15","14","5277","5283","10.1039/D4SC00316K","","x-ray","1.54184","CuKα","","0.0565","0.0512","","","0.1191","0.1228","","","","","","1.059","","","","has coordinates,has disorder","290835","2024-04-04","22:41:49",""
"1571158","13.83436","0.00015","11.10289","0.0001","20.5729","0.0002","90","","109.093","0.0012","90","","2986.18","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O5 -","- C29 H26 N2 O5 -","- C116 H104 N8 O20 -","4","1","","Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.","The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions","Chemical Science","2024","15","14","5277","5283","10.1039/D4SC00316K","","x-ray","1.54184","CuKα","","0.0475","0.0438","","","0.1209","0.1244","","","","","","1.011","","","","has coordinates,has disorder","290835","2024-04-04","22:41:50",""
"1571159","15.6843","0.0002","6.33089","0.00007","15.89366","0.00018","90","","114.758","0.0015","90","","1433.11","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","","Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.","The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions","Chemical Science","2024","15","14","5277","5283","10.1039/D4SC00316K","","x-ray","1.54184","CuKα","","0.038","0.0351","","","0.0915","0.0943","","","","","","1.056","","","","has coordinates","290835","2024-04-04","22:41:50",""
"1571175","51.7208","0.0003","51.7208","0.0003","23.7243","0.0002","90","","90","","120","","54961","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C101 H132 Cu4 N4 O13 -","- C101 H132 Cu4 N4 O13 -","- C1818 H2376 Cu72 N72 O234 -","18","1","","Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl","Reversible dioxygen uptake at [Cu4] clusters","Chemical Science","2024","15","14","5327","5332","10.1039/D3SC06390A","","x-ray","1.54184","CuKα","","0.1243","0.1012","","","0.3104","0.3408","","","","","","1.326","","","","has coordinates,has disorder","290834","2024-04-04","22:41:10",""
"1571176","14.3434","0.0003","18.4638","0.0005","19.1152","0.0005","107.861","0.002","104.915","0.002","94.308","0.002","4590.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H115 Cu4 N5 O12.25 -","- C94 H115 Cu4 N5 O12.25 -","- C188 H230 Cu8 N10 O24.5 -","2","1","","Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl","Reversible dioxygen uptake at [Cu4] clusters","Chemical Science","2024","15","14","5327","5332","10.1039/D3SC06390A","","x-ray","1.54184","CuKα","","0.1907","0.1052","","","0.2911","0.3509","","","","","","1.062","","","","has coordinates,has disorder","290834","2024-04-04","22:41:11",""
"1571177","7.0333","0.0003","11.0537","0.0005","15.3641","0.0007","79.685","0.002","85.884","0.002","82.938","0.002","1164.73","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 B N O8.5 -","- C22 H29 B N O8.5 -","- C44 H58 B2 N2 O17 -","2","1","","Rulli, Federica; Sanz-Liarte, Guillem; Roca, Pol; Martínez, Nina; Medina, Víctor; Puig de la Bellacasa, Raimon; Shafir, Alexandr; Cuenca, Ana B.","From propenolysis to enyne metathesis: tools for expedited assembly of 4<i>a</i>,8<i>a</i>-azaboranaphthalene and extended polycycles with embedded BN.","Chemical science","2024","15","15","5674","5680","10.1039/d3sc06676b","","","0.71073","MoKα","","0.1061","0.0726","","","0.1831","0.2026","","","","","","1.08","","","","has coordinates,has disorder","291580","2024-05-05","01:55:37",""
"1571178","7.7013","0.0003","13.3036","0.0006","14.8499","0.0006","68.809","0.002","86.831","0.002","82.254","0.002","1405.59","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 B2 N2 O18 -","- C56 H76 B2 N2 O18 -","- C56 H76 B2 N2 O18 -","1","0.5","","Rulli, Federica; Sanz-Liarte, Guillem; Roca, Pol; Martínez, Nina; Medina, Víctor; Puig de la Bellacasa, Raimon; Shafir, Alexandr; Cuenca, Ana B.","From propenolysis to enyne metathesis: tools for expedited assembly of 4<i>a</i>,8<i>a</i>-azaboranaphthalene and extended polycycles with embedded BN.","Chemical science","2024","15","15","5674","5680","10.1039/d3sc06676b","","","0.71073","MoKα","","0.0992","0.0649","","","0.1359","0.1505","","","","","","1.077","","","","has coordinates,has disorder","291580","2024-05-05","01:55:41",""
"1571184","20.98915","0.00015","17.36611","0.00009","20.56133","0.00013","90","","110.078","0.0008","90","","7039.14","0.08","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H72 Br2 N2 Ni -","- C86 H72 Br2 N2 Ni -","- C344 H288 Br8 N8 Ni4 -","4","1","","Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts","Polymer Chemistry","2024","15","14","1437","1452","10.1039/D4PY00061G","","x-ray","1.54184","CuKα","","0.0604","0.0578","","","0.2423","0.2479","","","","","","1.175","","","","has coordinates","291070","2024-04-05","00:18:24",""
"1571185","28.8212","0.0018","10.4943","0.0004","30.215","0.002","90","","118.38","0.008","90","","8040.4","1","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H100 Br2 N2 Ni -","- C100 H100 Br2 N2 Ni -","- C400 H400 Br8 N8 Ni4 -","4","1","","Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts","Polymer Chemistry","2024","15","14","1437","1452","10.1039/D4PY00061G","","x-ray","0.71073","MoKα","","0.2209","0.1353","","","0.2532","0.2861","","","","","","1.167","","","","has coordinates,has disorder","291070","2024-04-05","00:18:25",""
"1571186","21.2367","0.0002","17.34528","0.00014","20.7624","0.0002","90","","109.538","0.0011","90","","7207.59","0.12","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H76 Br2 N2 Ni -","- C88 H76 Br2 N2 Ni -","- C352 H304 Br8 N8 Ni4 -","4","1","","Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts","Polymer Chemistry","2024","15","14","1437","1452","10.1039/D4PY00061G","","x-ray","1.54184","CuKα","","0.0545","0.0505","","","0.1491","0.1521","","","","","","1.029","","","","has coordinates","291070","2024-04-05","00:18:25",""
"1571189","6.148","0.0004","11.2791","0.0007","8.6416","0.0006","90","","98.935","0.006","90","","591.97","0.07","94","0.1","94","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","Di-tert-butyldiphosphatetrahedrane","","","- C10 H18 P2 -","- C10 H18 P2 -","- C20 H36 P4 -","2","1","","Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert","Structure and photochemistry of di-<i>tert</i>-butyldiphosphatetrahedrane.","Chemical science","2024","15","15","5596","5603","10.1039/d4sc00936c","","","0.71073","MoKα","","0.0369","0.027","","","0.0542","0.0555","","","","","","0.839","","","","has coordinates","291588","2024-05-05","02:02:16",""
"1571190","7.7927","0.0001","27.0421","0.0003","26.5278","0.0002","90","","96.253","0.001","90","","5556.97","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H83 N3 O6 P6 -","- C51 H83 N3 O6 P6 -","- C204 H332 N12 O24 P24 -","4","1","","Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert","Structure and photochemistry of di-<i>tert</i>-butyldiphosphatetrahedrane.","Chemical science","2024","15","15","5596","5603","10.1039/d4sc00936c","","x-ray","1.54184","CuKα","","0.0431","0.039","","","0.1015","0.1041","","","","","","1.057","","","","has coordinates","291588","2024-05-05","02:02:20",""
"1571191","14.7865","0.0005","10.4516","0.0003","13.5026","0.0003","90","","90","","90","","2086.73","0.1","99.96","0.18","99.96","0.18","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H34 Co N O P -","- C22 H34 Co N O P -","- C88 H136 Co4 N4 O4 P4 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","0.71073","MoKα","","0.0596","0.0531","","","0.1122","0.1171","","","","","","1.064","","","","has coordinates","290875","2024-04-04","23:02:12",""
"1571192","14.1533","0.0004","6.0972","0.0002","15.4812","0.0004","90","","100.501","0.002","90","","1313.58","0.07","99.95","0.13","99.95","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","","1.54184","CuKα","","0.0656","0.0627","","","0.1533","0.1588","","","","","","1.059","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571193","8.5688","0.0005","12.8423","0.0005","13.3857","0.0005","100.81","0.003","95.593","0.004","92.022","0.004","1437.81","0.12","99.97","0.13","99.97","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 B Co N O3 P -","- C28 H46 B Co N O3 P -","- C56 H92 B2 Co2 N2 O6 P2 -","2","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","","1.54184","CuKα","","0.0611","0.0561","","","0.1494","0.1588","","","","","","1.112","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571194","22.308","0.0005","9.2019","0.0002","22.7534","0.0005","90","","95.001","0.002","90","","4652.95","0.18","99.94","0.17","99.94","0.17","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Co N O P -","- C24 H38 Co N O P -","- C192 H304 Co8 N8 O8 P8 -","8","2","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","1.54184","CuKα","","0.0663","0.057","","","0.1529","0.1634","","","","","","1.085","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571195","16.4812","0.0005","8.4448","0.0002","28.0381","0.0008","90","","103.883","0.003","90","","3788.36","0.19","99.92","0.18","99.92","0.18","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H63 B Co2 N O3 P -","- C38 H63 B Co2 N O3 P -","- C152 H252 B4 Co8 N4 O12 P4 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","0.71073","MoKα","","0.0583","0.0489","","","0.1291","0.1352","","","","","","1.1","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571196","12.7059","0.0003","10.7086","0.0002","12.8648","0.0002","90","","92.7679","0.0018","90","","1748.37","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound_13","Compound_13","","- C21 H20 N3 P -","- C21 H20 N3 P -","- C84 H80 N12 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0435","0.0401","","","0.1046","0.107","","","","","","1.064","","","","has coordinates","291567","2024-05-05","01:39:11",""
"1571197","24.4855","0.0004","24.4855","0.0004","11.1476","0.0002","90","","90","","120","","5788.02","0.17","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","Compound_26","Compound_26","","- C14 H14 N2 O P -","- C14 H14 N2 O P -","- C252 H252 N36 O18 P18 -","18","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0445","0.0421","","","0.1208","0.1229","","","","","","1.102","","","","has coordinates","291567","2024-05-05","01:39:17",""
"1571198","15.3525","0.0002","9.81549","0.00015","17.346","0.0002","90","","98.1105","0.0013","90","","2587.76","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound_22","Compound_22","","- C30 H33 N4 P -","- C30 H33 N4 P -","- C120 H132 N16 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.037","0.0334","","","0.0847","0.0877","","","","","","1.048","","","","has coordinates","291567","2024-05-05","01:39:17",""
"1571199","9.1045","0.0001","26.3845","0.0003","9.3517","0.0001","90","","93.698","0.001","90","","2241.77","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","Compound_36","Compound_36","","- C54 H48 N4 P4 -","- C54 H48 N4 P4 -","- C108 H96 N8 P8 -","2","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0526","0.0512","","","0.1582","0.1597","","","","","","1.083","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571200","17.814","0.0003","14.2764","0.0002","14.7633","0.0002","90","","107.84","0.002","90","","3574.06","0.1","297.42","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N4 P -","- C20 H17 N4 P -","- C160 H136 N32 P8 -","8","2","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0428","0.0367","","","0.1047","0.1099","","","","","","1.061","","","","has coordinates,has disorder","291567","2024-05-05","01:39:18",""
"1571201","9.39428","0.00009","11.00098","0.00013","20.6966","0.0002","90","","90","","90","","2138.92","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N3 O P -","- C25 H24 N3 O P -","- C100 H96 N12 O4 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0263","0.0257","","","0.0644","0.0649","","","","","","1.04","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571202","12.0937","0.0003","27.134","0.0006","15.1168","0.0003","90","","104.658","0.002","90","","4799.14","0.19","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mds322","","- C49 H40 Br4 N9 Ni2 O P2 -","- C49 H40 Br4 N9 Ni2 O P2 -","- C196 H160 Br16 N36 Ni8 O4 P8 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","0.71073","MoKα","","0.0663","0.0497","","","0.1131","0.1196","","","","","","1.056","","","","has coordinates,has disorder","291567","2024-05-05","01:39:18",""
"1571203","10.0468","0.0002","10.5532","0.0002","11.2334","0.0002","81.121","0.002","72.014","0.002","84.044","0.002","1117.26","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Compound35","Compound35","","- C27 H24 N2 O P2 -","- C27 H24 N2 O P2 -","- C54 H48 N4 O2 P4 -","2","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.036","0.034","","","0.0866","0.0879","","","","","","1.074","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571204","12.0258","0.0001","17.4694","0.0001","19.0196","0.0001","90","","102.948","0.001","90","","3894.11","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Compound_31","Compound_31","","- C35.2 H31.2 N4.8 O2 P1.6 -","- C35.2 H31.2 N4.8 O2 P1.6 -","- C176 H156 N24 O10 P8 -","5","2.5","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0822","0.0826","","","","","","1.028","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571205","9.683","0.0008","38.907","0.004","13.2918","0.0011","90","","106.154","0.004","90","","4809.8","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl12 N2 O P2 Ti2 -","- C32 H56 Cl12 N2 O P2 Ti2 -","- C128 H224 Cl48 N8 O4 P8 Ti8 -","4","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.19","0.1107","","","0.2692","0.3155","","","","","","1.047","","","","has coordinates,has disorder","291584","2024-05-05","01:59:09",""
"1571206","16.8812","0.0014","16.61","0.0011","15.6315","0.0009","90","","111.688","0.003","90","","4072.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 Cl4 N2 P2 Ti -","- C34 H59 Cl4 N2 P2 Ti -","- C136 H236 Cl16 N8 P8 Ti4 -","4","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.1489","0.0715","","","0.1625","0.1987","","","","","","1.02","","","","has coordinates,has disorder","291584","2024-05-05","01:59:14",""
"1571207","15.1125","0.0003","20.187","0.0005","27.1948","0.0006","90","","90","","90","","8296.5","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C248 H448 Au16 Cl48 N16 P16 Ti8 -","8","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.0669","0.0373","","","0.0739","0.083","","","","","","1.03","","","","has coordinates","291584","2024-05-05","01:59:14",""
"1571208","12.8524","0.0003","18.0304","0.0007","21.306","0.0006","102.735","0.001","104.569","0.001","105.177","0.001","4389.9","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C86 H84 B Cl3 F24 N2 O P2 Ti -","- C86 H84 B Cl3 F24 N2 O P2 Ti -","- C172 H168 B2 Cl6 F48 N4 O2 P4 Ti2 -","2","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.1277","0.0566","","","0.1154","0.1418","","","","","","1.014","","","","has coordinates,has disorder","291584","2024-05-05","01:59:14",""
"1571209","18.2372","0.0013","18.2261","0.001","19.3593","0.0008","90","","90.255","0.003","90","","6434.8","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 B Cl3 F24 N2 P2 Ti -","- C58 H56 B Cl3 F24 N2 P2 Ti -","- C232 H224 B4 Cl12 F96 N8 P8 Ti4 -","4","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.103","0.0589","","","0.1456","0.1699","","","","","","1.029","","","","has coordinates","291584","2024-05-05","01:59:14",""
"1571210","11.8542","0.0016","10.8829","0.0013","8.9354","0.0012","90","","99.888","0.005","90","","1135.6","0.3","380","","380","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one","penciclovir","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","1","","Meng, Jiantao; Su, Yuan; Zhu, Hang; Cai, Ting","Shape memory and self-healing in a molecular crystal with inverse temperature symmetry breaking.","Chemical science","2024","15","15","5738","5745","10.1039/d3sc06800e","","","0.71073","MoKα","","0.1107","0.056","","","0.1228","0.1556","","","","","","1.031","","","","has coordinates","291583","2024-05-05","01:58:30",""
"1571211","9.093","0.004","10.918","0.004","11.805","0.004","87.335","0.012","80.598","0.013","86.279","0.015","1153","0.8","400","","400","","","","","","","","","4","P -1","-P 1","2","2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one","penciclovir","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","2","","Meng, Jiantao; Su, Yuan; Zhu, Hang; Cai, Ting","Shape memory and self-healing in a molecular crystal with inverse temperature symmetry breaking.","Chemical science","2024","15","15","5738","5745","10.1039/d3sc06800e","","","0.71073","MoKα","","0.1243","0.0729","","","0.1664","0.1971","","","","","","1.074","","","","has coordinates","291583","2024-05-05","01:58:30",""
"1571212","6.4286","0.0001","8.7411","0.0002","33.5094","0.0006","90","","90","","90","","1882.99","0.06","296.3","0.6","296.3","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 F4 N O -","- C24 H17 F4 N O -","- C96 H68 F16 N4 O4 -","4","1","","Fang, Chao; Wang, Quan-Pu; Xu, Bing; Zhang, Zhan-Ming; Zhang, Junliang","Palladium/XuPhos-catalyzed enantioselective cascade Heck/intermolecular C(sp<sup>2</sup>)-H alkylation reaction.","Chemical science","2024","15","15","5573","5580","10.1039/d4sc00262h","","x-ray","1.54184","CuKα","","0.0334","0.0302","","","0.0769","0.079","","","","","","1.06","","","","has coordinates","291587","2024-05-05","02:01:28",""
"1571213","18.288","0.004","24.723","0.005","6.9501","0.0015","90","","92.813","0.006","90","","3138.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H20 F20 O4 S6 -","- C68 H20 F20 O4 S6 -","- C136 H40 F40 O8 S12 -","2","0.5","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.1012","0.0649","","","0.1527","0.1754","","","","","","0.915","","","","has coordinates","291571","2024-05-05","01:42:19",""
"1571214","18.258","0.004","13.448","0.003","21.934","0.005","90","","104.115","0.007","90","","5223","2","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C94 H74 S10 -","- C94 H74 S10 -","- C188 H148 S20 -","2","0.5","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.1971","0.0754","","","0.186","0.2407","","","","","","1.051","","","","has coordinates","291571","2024-05-05","01:42:25",""
"1571215","12.453","0.003","21.757","0.006","23.66","0.006","66.193","0.008","79.426","0.009","86.247","0.008","5765","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H20 Cl0 F20 S10 -","- C68 H20 F20 S10 -","- C204 H60 F60 S30 -","3","1.5","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.2459","0.0893","","","0.2012","0.2642","","","","","","0.943","","","","has coordinates","291571","2024-05-05","01:42:25",""
"1571216","23.966","0.008","12.143","0.004","32.204","0.012","90","","99.057","0.011","90","","9255","6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H74 Cl2 F6 O5 S10 -","- C100 H74 Cl2 F6 O5 S10 -","- C400 H296 Cl8 F24 O20 S40 -","4","1","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.2413","0.117","","","0.2736","0.3327","","","","","","1.083","","","","has coordinates","291571","2024-05-05","01:42:25",""
"1571218","11.1145","0.001","11.1145","0.001","9.6132","0.0012","90","","90","","90","","1187.5","0.2","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C7 H16 B10 Cu N O4 -","- C7 H16 B10 Cu N O4 -","- C14 H32 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","1.54178","CuKα","","0.05","0.0439","","","0.111","0.1189","","","","","","1.104","","","","has coordinates,has disorder","291579","2024-05-05","01:55:07",""
"1571219","11.1145","0.0006","11.1145","0.0006","9.5867","0.0007","90","","90","","90","","1184.27","0.13","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C8.1 H18.2 B10 Cu N O4 -","- C8.1 H18.2 B10 Cu N O4 -","- C16.2 H36.4 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.0559","0.0474","","","0.1143","0.1231","","","","","","1.144","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571220","11.0892","0.0015","11.0892","0.0015","9.581","0.0014","90","","90","","90","","1178.2","0.3","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C8 H17 B10 Cu N O4 -","- C8 H17 B10 Cu N O4 -","- C16 H34 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.1199","0.0853","","","0.209","0.2396","","","","","","1.081","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571221","11.1131","0.0011","11.1131","0.0011","9.6111","0.0012","90","","90","","90","","1187","0.2","293.15","","293.15","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C7 H16 B10 Cu N O4 -","- C7 H16 B10 Cu N O4 -","- C14 H32 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.069","0.0539","","","0.1468","0.1701","","","","","","1.214","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571222","14.769","0.003","15.187","0.003","21.191","0.004","90","","106.73","0.03","90","","4551.9","1.7","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C105.5 H103 B2 Cl3 Co2 N8 O4 -","- C105.5 H103 B2 Cl3 Co2 N8 O4 -","- C211 H206 B4 Cl6 Co4 N16 O8 -","2","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71092","Synchrotron","","0.0917","0.0716","","","0.2093","0.2286","","","","","","1.063","","","","has coordinates,has disorder","291582","2024-05-05","01:57:36",""
"1571223","30.09","0.006","10.04","0.002","27.93","0.006","90","","90","","90","","8438","3","371.6","0.2","371.6","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.1085","0.047","","","0.128","0.1622","","","","","","0.979","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571224","29.872","0.006","9.931","0.002","27.754","0.006","90","","90","","90","","8233","3","271.59","0.02","270.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0711","0.0456","","","0.1157","0.1505","","","","","","1.082","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571225","29.62","0.006","9.84","0.002","27.53","0.006","90","","90","","90","","8024","3","99.96","0.02","99.96","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0813","0.0513","","","0.1227","0.1427","","","","","","1.029","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571226","20.212","0.004","9.634","0.0019","22.929","0.005","90","","95.57","0.03","90","","4443.7","1.6","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0705","0.0676","","","0.1786","0.1815","","","","","","1.046","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571227","30","0.006","9.98","0.002","27.84","0.006","90","","90","","90","","8335","3","330","0.2","330","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0696","0.0404","","","0.1105","0.128","","","","","","1.008","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571228","20.258","0.004","9.648","0.0019","22.962","0.005","90","","95.6","0.03","90","","4466.5","1.6","153","0.2","153","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C53.999 H53.998 B Co N4 O2 -","- C215.996 H215.992 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0718","0.068","","","0.1843","0.1883","","","","","","1.054","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571229","29.67","0.006","9.86","0.002","27.58","0.006","90","","90","","90","","8068","3","150.12","0.02","150.12","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0828","0.0482","","","0.1119","0.1289","","","","","","1.016","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571230","29.76","0.006","9.89","0.002","27.66","0.006","90","","90","","90","","8141","3","201.34","0.02","201.34","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0793","0.0478","","","0.1146","0.133","","","","","","1.011","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571231","20.464","0.004","9.708","0.0019","23.147","0.005","90","","95.64","0.03","90","","4576.2","1.6","276","0.2","276","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C53.999 H53.998 B Co N4 O2 -","- C215.996 H215.992 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0874","0.0783","","","0.2227","0.2341","","","","","","1.057","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571232","20.716","0.004","9.795","0.002","23.515","0.005","90","","95.47","0.03","90","","4749.8","1.7","400","0.2","400","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.075","0.0624","","","0.198","0.2157","","","","","","1.066","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571233","20.675","0.004","9.779","0.002","23.468","0.005","90","","95.49","0.03","90","","4723","1.7","376","0.2","376","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54.001 H54.002 B Co N4 O2 -","- C216.004 H216.008 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0888","0.0699","","","0.2113","0.2405","","","","","","1.067","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571234","20.525","0.004","9.727","0.0019","23.244","0.005","90","","95.61","0.03","90","","4618.4","1.6","302","0.2","302","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.087","0.0757","","","0.2212","0.2356","","","","","","1.06","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571235","20.581","0.004","9.747","0.0019","23.342","0.005","90","","95.56","0.03","90","","4660.4","1.6","327","0.2","327","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71073","Synchrotron","","0.0855","0.0724","","","0.2163","0.2354","","","","","","1.069","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571236","20.402","0.004","9.692","0.0019","23.077","0.005","90","","95.63","0.03","90","","4541.1","1.6","252","0.2","252","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0839","0.0769","","","0.2128","0.221","","","","","","1.035","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571237","20.325","0.004","9.671","0.0019","23.011","0.005","90","","95.61","0.03","90","","4501.4","1.6","202","0.2","202","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54.001 H54.002 B Co N4 O2 -","- C216.004 H216.008 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0791","0.0742","","","0.2001","0.2055","","","","","","1.026","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571238","20.625","0.004","9.765","0.002","23.419","0.005","90","","95.51","0.03","90","","4694.9","1.7","352","0.2","352","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0855","0.0709","","","0.2113","0.2327","","","","","","1.051","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571239","13.1125","0.0001","21.0944","0.0001","18.8571","0.0001","90","","107.233","0.001","90","","4981.73","0.06","100.01","0.1","100.01","0.1","","","100","","","","","4","P 1 21 1","P 2yb","4","H-YLGGG-OH Q8 complex hydrate","L-tyrosyl-L-leucylglycylglycylglycine cucurbit[8]uril complex octadecahydrate","","- C69 H116 N37 O42 -","- C69 H116 N37 O42 -","- C138 H232 N74 O84 -","2","1","","Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.","Peptide recognition by a synthetic receptor at subnanomolar concentrations","Chemical Science","2024","15","14","5133","5142","10.1039/D4SC01122H","","x-ray","1.54184","CuKα","","0.0391","0.0377","","","0.0973","0.0986","","","","","","1.031","","","","has coordinates","290832","2024-04-04","22:40:12",""
"1571240","34.6961","0.0003","14.6388","0.0001","18.863","0.0001","90","","90.751","0.001","90","","9579.87","0.12","99.99","0.1","99.99","0.1","","","100","","","","synthetic","4","C 1 2 1","C 2y","5","LYGGG Q8 complex","L-leucyl-L-tyrosylglycylglycylglycine cucurbit[8]uril complex hydrate","","- C276 H381.4 N148 O132.2 -","- C276 H381.4 N148 O132.2 -","- C276 H381.4 N148 O132.2 -","1","0.25","","Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.","Peptide recognition by a synthetic receptor at subnanomolar concentrations","Chemical Science","2024","15","14","5133","5142","10.1039/D4SC01122H","","x-ray","1.54184","CuKα","","0.059","0.056","","","0.1308","0.1324","","","","","","1.069","","","","has coordinates,has disorder","290832","2024-04-04","22:40:13",""
"1571245","9.3848","0.0002","11.5366","0.0003","14.8861","0.0004","79.747","0.001","83.521","0.001","72.5","0.001","1509.53","0.07","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H23 Br Cl3 N2 O2 P -","- C32 H23 Br Cl3 N2 O2 P -","- C64 H46 Br2 Cl6 N4 O4 P2 -","2","1","","Xu, Shengbo; Mi, Ruijie; Zheng, Guangfan; Li, Xingwei","Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C-H activation and formal phosphoryl migration.","Chemical science","2024","15","16","6012","6021","10.1039/d4sc00649f","","","0.71073","MoKα","","0.0351","0.0292","","","0.0758","0.0798","","","","","","1.022","","","","has coordinates","291568","2024-05-05","01:39:56",""
"1571246","9.3078","0.0002","12.9452","0.0003","13.3909","0.0003","83.589","0.001","79.897","0.001","69.502","0.001","1485.68","0.06","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl2 N3 O3 P -","- C32 H26 Cl2 N3 O3 P -","- C64 H52 Cl4 N6 O6 P2 -","2","1","","Xu, Shengbo; Mi, Ruijie; Zheng, Guangfan; Li, Xingwei","Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C-H activation and formal phosphoryl migration.","Chemical science","2024","15","16","6012","6021","10.1039/d4sc00649f","","","0.71073","MoKα","","0.0553","0.0459","","","0.1132","0.1222","","","","","","1.046","","","","has coordinates,has disorder","291568","2024-05-05","01:40:01",""
"1571247","8.1586","0.0003","21.503","0.0008","8.6653","0.0003","90","","95.275","0.003","90","","1513.75","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17.36 H22.73 N2 O -","- C17.37 H22.74 N2 O -","- C69.48 H90.96 N8 O4 -","4","1","","Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao","Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.","Chemical science","2024","15","15","5730","5737","10.1039/d4sc00601a","","x-ray","1.54184","CuKα","","0.07","0.054","","","0.1389","0.1506","","","","","","1.03","","","","has coordinates,has disorder","291578","2024-05-05","01:54:32",""
"1571248","8.9869","0.0006","9.3453","0.0005","11.174","0.0006","83.313","0.005","81.185","0.005","61.479","0.006","813.81","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao","Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.","Chemical science","2024","15","15","5730","5737","10.1039/d4sc00601a","","x-ray","1.54184","CuKα","","0.0393","0.0346","","","0.0866","0.0907","","","","","","1.035","","","","has coordinates","291578","2024-05-05","01:54:36",""
"1571249","10.539","0.002","10.9798","0.0018","11.7826","0.0015","92.457","0.009","108.816","0.004","103.145","0.004","1246.7","0.4","102","","102","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N4 O P -","- C29 H27 N4 O P -","- C58 H54 N8 O2 P2 -","2","1","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0544","0.0454","","","0.103","0.1073","","","","","","1.067","","","","has coordinates","291581","2024-05-05","01:56:08",""
"1571250","6.0233","0.0002","7.6255","0.0002","21.2045","0.0006","90","","93.2936","0.0009","90","","972.33","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N4 P -","- C25 H17 N4 P -","- C50 H34 N8 P2 -","2","0.5","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0593","0.0591","","","0.1348","0.135","","","","","","1.299","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571251","6.0439","0.0002","10.8817","0.0005","11.4035","0.0005","102.992","0.002","95.821","0.001","93.214","0.001","724.61","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","6,6',6'',6'''-(phosphinine-2,3,5,6-tetrayl)tetrakis(3-methylpyridine) toluene solvate","","- C36 H33 N4 P -","- C36 H33 N4 P -","- C36 H33 N4 P -","1","0.5","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0782","0.0735","","","0.1536","0.1556","","","","","","1.277","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571252","22.4512","0.0008","22.4512","0.0008","10.3077","0.0005","90","","90","","90","","5195.7","0.4","150","","150","","","","","","","","","7","I -4","I -4","82","","","","- C103.44 H78.88 Cl6.88 Li4 N16 O4 P4 -","- C103.44 H78.88 Cl6.88 Li4 N16 O4 P4 -","- C206.88 H157.76 Cl13.76 Li8 N32 O8 P8 -","2","0.25","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","x-ray","1.54178","CuKα","","0.067","0.0505","","","0.1201","0.13","","","","","","1.045","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571253","8.4144","0.0005","9.2664","0.0005","14.4244","0.001","90","","103.942","0.002","90","","1091.55","0.12","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-bis(5-methylpyridin-2-yl)ethyne","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","0.5","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","x-ray","0.71073","MoKα","","0.1081","0.0718","","","0.198","0.2543","","","","","","1.058","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571254","19.1051","0.0008","17.5837","0.0007","19.9459","0.0007","90","","99.885","0.001","90","","6601.1","0.4","105","","105","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H52 Cl2 Cu4 I4 N8 P2 -","- C58 H50 Cu4 I4 N8 P2 -","- C232 H200 Cu16 I16 N32 P8 -","4","1","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0604","0.0391","","","0.0762","0.094","","","","","","1.148","","","","has coordinates","291581","2024-05-05","01:56:15",""
"1571257","12.4142","0.0013","15.1667","0.0013","18.9994","0.0018","90","","92.258","0.004","90","","3574.5","0.6","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 N3 P2 -","- C43 H43 N3 P2 -","- C172 H172 N12 P8 -","4","1","","Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh","Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.","Chemical science","2024","15","16","6036","6043","10.1039/d4sc00197d","","","0.71073","MoKα","","0.0454","0.0393","","","0.1027","0.1075","","","","","","1.0422","","","","has coordinates","291573","2024-05-05","01:45:41",""
"1571258","10.9439","0.0007","21.0052","0.001","21.9721","0.0012","92.01","0.002","101.049","0.002","103.267","0.002","4808.4","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H48 Bi N3 O3 P2 W -","- C46 H40 Bi N3 O3 P2 W -","- C184 H160 Bi4 N12 O12 P8 W4 -","4","2","","Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh","Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.","Chemical science","2024","15","16","6036","6043","10.1039/d4sc00197d","","","0.71073","MoKα","","0.0908","0.0514","","","0.1137","0.1332","","","","","","0.9746","","","","has coordinates","291573","2024-05-05","01:45:46",""
"1571259","12.5454","0.001","14.8524","0.0015","20.97","0.002","72.803","0.004","83.022","0.003","86.907","0.003","3704.3","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Bi N3 P2 -","- C43 H40 Bi N3 P2 -","- C172 H160 Bi4 N12 P8 -","4","2","","Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh","Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.","Chemical science","2024","15","16","6036","6043","10.1039/d4sc00197d","","","0.71073","MoKα","","0.0587","0.0367","","","0.0771","0.087","","","","","","1.0131","","","","has coordinates","291573","2024-05-05","01:45:46",""
"1571260","11.8543","0.0004","22.0339","0.0008","17.7751","0.0007","90","","102.638","0.001","90","","4530.3","0.3","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 Br2 N6 Ni -","- C50 H36 Br2 N6 Ni -","- C200 H144 Br8 N24 Ni4 -","4","1","","Yang, Jingshuang; Chi, Yue; Zhang, Yuxing; Jian, Zhongbao","An aza-cyclophane supported macrocyclic α-diimine nickel catalyst for ethylene polymerization","Polymer Chemistry","2024","15","15","1530","1535","10.1039/D3PY01402A","","","0.71073","MoKα","","0.1139","0.0523","","","0.1145","0.1376","","","","","","1.021","","","","has coordinates","291702","2024-05-05","04:14:27",""
"1571261","7.8263","0.0004","11.618","0.0006","28.9031","0.0015","90","","90","","90","","2628","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 N3 O -","- C33 H31 N3 O -","- C132 H124 N12 O4 -","4","1","","Dai, Lei; Zhou, Xueting; Guo, Jiami; Huang, Qingqin; Lu, Yixin","Copper-catalyzed atroposelective synthesis of C-O axially chiral compounds enabled by chiral 1,8-naphthyridine based ligands.","Chemical science","2024","15","16","5993","6001","10.1039/d4sc01074d","","","1.54178","CuKα","","0.0252","0.0251","","","0.0637","0.0639","","","","","","1.067","","","","has coordinates","291569","2024-05-05","01:40:33",""
"1571271","21.2076","0.0005","21.2076","0.0005","7.7012","0.0002","90","","90","","120","","2999.66","0.13","298","0.1","298","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0627","0.0383","","","0.0775","0.0887","","","","","","1.081","","","","has coordinates","291572","2024-05-05","01:42:59",""
"1571272","21.2035","0.0005","21.2035","0.0005","7.6959","0.0002","90","","90","","120","","2996.44","0.13","298","0.1","298","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0598","0.0399","","","0.0942","0.1032","","","","","","1.024","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571273","21.2057","0.0007","21.2057","0.0007","7.6878","0.0002","90","","90","","120","","2993.9","0.16","249.99","0.1","249.99","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0592","0.0368","","","0.0806","0.0886","","","","","","1.017","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571274","21.2065","0.0006","21.2065","0.0006","7.6905","0.0003","90","","90","","120","","2995.18","0.17","250","0.1","250","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.1044","0.0547","","","0.1368","0.1783","","","","","","1.047","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571275","21.2008","0.0006","21.2008","0.0006","7.6911","0.0002","90","","90","","120","","2993.81","0.14","272.99","0.1","272.99","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0519","0.0344","","","0.0763","0.082","","","","","","1.055","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571276","8.8939","0.0005","10.6953","0.0007","11.302","0.0008","109.349","0.002","98.738","0.002","98.497","0.002","979.7","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 F3 N2 O6 S3 -","- C16 H13 F3 N2 O6 S3 -","- C32 H26 F6 N4 O12 S6 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0298","0.0279","","","0.0789","0.0806","","","","","","1.036","","","","has coordinates,has disorder","291570","2024-05-05","01:41:25",""
"1571277","11.2326","0.0006","18.0655","0.0009","14.1136","0.0004","90","","101.844","0.001","90","","2803","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 F6 O3.5 S2 -","- C31 H25 F6 O3.5 S2 -","- C124 H100 F24 O14 S8 -","4","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0375","0.0343","","","0.0893","0.0919","","","","","","1.038","","","","has coordinates,has disorder","291570","2024-05-05","01:41:35",""
"1571278","10.6503","0.0016","11.1577","0.0017","12.0098","0.0018","109.986","0.004","98.765","0.004","97.218","0.005","1301.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 F4 N2 O5 S2 -","- C25 H22 F4 N2 O5 S2 -","- C50 H44 F8 N4 O10 S4 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0368","0.0332","","","0.0901","0.0934","","","","","","1.036","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571279","10.5731","0.0018","13.509","0.002","18.976","0.003","103.841","0.005","96.946","0.004","107.996","0.005","2446.6","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H39 F6 N5 O9 S4 -","- C46 H36 F6 N4 O9 S4 -","- C92 H72 F12 N8 O18 S8 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0578","0.0449","","","0.1169","0.123","","","","","","1.146","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571280","10.7059","0.0007","16.869","0.0007","12.6192","0.0008","90","","106.941","0.002","90","","2180.1","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 B F4 O2 S -","- C23 H25 B F4 O2 S -","- C92 H100 B4 F16 O8 S4 -","4","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0311","0.0296","","","0.0823","0.0837","","","","","","1.031","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571281","9.7055","0.0006","11.9141","0.0009","12.9664","0.001","79.46","0.002","68.373","0.002","70.766","0.002","1312.75","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 B F7 N S -","- C30 H23 B F7 N S -","- C60 H46 B2 F14 N2 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0434","0.0399","","","0.1085","0.1116","","","","","","1.046","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571282","11.2625","0.0015","11.5958","0.0016","12.8133","0.0018","108.624","0.004","94.05","0.004","114.412","0.004","1403.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 Cl4 F3 N2 O4 S2 -","- C24 H19 Cl4 F3 N2 O4 S2 -","- C48 H38 Cl8 F6 N4 O8 S4 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0421","0.0387","","","0.1094","0.1132","","","","","","1.043","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571283","8.945","0.002","9.215","0.003","14.225","0.004","97.773","0.008","102.84","0.008","111.165","0.008","1035.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 O S -","- C29 H20 O S -","- C58 H40 O2 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0498","0.0426","","","0.1143","0.1197","","","","","","1.089","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571284","9.4954","0.0008","11.2014","0.0012","11.5541","0.0011","72.592","0.003","87.789","0.003","68.141","0.003","1084.64","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 O S -","- C30 H22 O S -","- C60 H44 O2 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0427","0.0378","","","0.1017","0.1061","","","","","","1.037","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571285","8.946","0.002","10.892","0.003","12.669","0.004","95.044","0.007","109.263","0.011","93.731","0.009","1155","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B F7 O2 S -","- C26 H20 B F6.9991 O2 S -","- C52 H40 B2 F13.9982 O4 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0447","0.0375","","","0.0947","0.1006","","","","","","1.028","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571286","7.4771","0.0006","9.2628","0.0008","15.6995","0.0014","75.56","0.003","84.91","0.004","85.28","0.005","1046.79","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 B F4 O2 S -","- C23 H25 B F4 O2 S -","- C46 H50 B2 F8 O4 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0447","0.0394","","","0.1007","0.1053","","","","","","1.058","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571287","12.1265","0.0005","11.7452","0.0005","19.7744","0.0009","90","","106.223","0.002","90","","2704.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 F3 O5 S2 -","- C31 H25 F3 O5 S2 -","- C124 H100 F12 O20 S8 -","4","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.095","0.0966","","","","","","1.057","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571288","8.9043","0.001","11.4746","0.0013","12.294","0.0012","92.737","0.003","99.024","0.003","111.462","0.003","1147","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H20 B Br F4 O2 S -","- C25 H20 B Br F4 O2 S -","- C50 H40 B2 Br2 F8 O4 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0337","0.0285","","","0.07","0.0729","","","","","","1.022","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571289","9.3811","0.0006","10.8726","0.0011","12.1464","0.001","63.826","0.002","68.524","0.004","80.59","0.002","1034.66","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 B F7 S -","- C23 H16 B F7 S -","- C46 H32 B2 F14 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0433","0.0403","","","0.111","0.1133","","","","","","1.085","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571290","6.8498","0.0016","9.93","0.002","15.949","0.004","78.205","0.008","88.999","0.01","81.864","0.011","1051.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 F3 O4 S2 -","- C22 H15 F3 O4 S2 -","- C44 H30 F6 O8 S4 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0479","0.0399","","","0.0982","0.1042","","","","","","1.026","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571291","15.2188","0.0005","19.6877","0.0007","20.5242","0.0006","65.104","0.003","85.72","0.003","69.053","0.003","5188.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H110 N2 Na2 O12 S8 Zr2 -","- C94 H110 N2 Na2 O12 S8 Zr2 -","- C188 H220 N4 Na4 O24 S16 Zr4 -","2","1","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0633","0.0502","","","0.126","0.1372","","","","","","1.013","","","","has coordinates,has disorder","292907","2024-07-05","15:02:49",""
"1571292","26.4396","0.0002","12.2954","0.00011","32.4346","0.0003","90","","90","","90","","10544","0.16","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C400 H488 Ag8 N16 O56 S32 Zr8 -","4","0.5","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0418","0.0354","","","0.0915","0.0957","","","","","","1.028","","","","has coordinates,has disorder","292907","2024-07-05","15:02:50",""
"1571293","21.2954","0.0004","42.655","0.0009","26.1848","0.0005","90","","109.152","0.002","90","","22468.6","0.8","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C174 H184 Ag6 O22 S16 Zr2 -","- C174 H184 Ag6 O22 S16 Zr2 -","- C696 H736 Ag24 O88 S64 Zr8 -","4","1","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.34139","GaKα","","0.1801","0.1535","","","0.3093","0.3258","","","","","","1.174","","","","has coordinates,has disorder","292907","2024-07-05","15:02:51",""
"1571294","19.50529","0.00011","36.9188","0.0002","32.66914","0.00016","90","","98.6186","0.0005","90","","23259.8","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C197 H228 Ag7 N4 O25 S16 Zr2 -","- C197 H228 Ag7 N4 O25 S16 Zr2 -","- C788 H912 Ag28 N16 O100 S64 Zr8 -","4","1","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0845","0.0672","","","0.1835","0.1947","","","","","","1.074","","","","has coordinates,has disorder","292907","2024-07-05","15:02:59",""
"1571295","29.9395","0.0003","27.5788","0.0003","7.07968","0.00009","90","","90","","90","","5845.66","0.11","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H15.25 F N2 O2.125 -","- C17 H15.25 F N2 O2.125 -","- C272 H244 F16 N32 O34 -","16","1","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","1.54184","CuKα","","0.0369","0.0365","","","0.0978","0.0982","","","","","","1.087","","","","has coordinates","291566","2024-05-05","01:38:03",""
"1571296","3.85501","0.00008","13.319","0.0003","14.7962","0.0003","90","","94.88","0.002","90","","756.96","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N3 O4 -","- C17 H15 N3 O4 -","- C34 H30 N6 O8 -","2","1","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","0.71073","MoKα","","0.0241","0.0237","","","0.0626","0.0629","","","","","","1.029","","","","has coordinates","291566","2024-05-05","01:38:06",""
"1571297","7.0514","0.0006","17.1123","0.001","30.72","0.002","90","","91.352","0.008","90","","3705.8","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C160 H200 N24 O24 -","8","2","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","0.71073","MoKα","","0.1047","0.0719","","","0.1949","0.2144","","","","","","1.047","","","","has coordinates","291566","2024-05-05","01:38:06",""
"1571298","16.5216","0.0001","16.5216","0.0001","20.1532","0.0003","90","","90","","90","","5501.08","0.09","298","2","298.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H28 F3 N O2 -","- C32 H28 F3 N O2 -","- C256 H224 F24 N8 O16 -","8","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54178","CuKα","","0.0845","0.0614","","","0.1844","0.2011","","","","","","1.049","","","","has coordinates","291564","2024-05-05","01:37:05",""
"1571299","22.7125","0.0003","7.217","0.0001","22.9642","0.0003","90","","90","","90","","3764.2","0.09","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H24 O -","- C26 H24 O -","- C208 H192 O8 -","8","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54184","CuKα","","0.0445","0.042","","","0.1107","0.1129","","","","","","1.036","","","","has coordinates","291564","2024-05-05","01:37:07",""
"1571300","9.5911","0.0001","23.4883","0.0004","11.486","0.0002","90","","97.703","0.001","90","","2564.2","0.07","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 F3 N O2 -","- C32 H28 F3 N O2 -","- C128 H112 F12 N4 O8 -","4","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54178","CuKα","","0.0485","0.038","","","0.0955","0.1006","","","","","","1.083","","","","has coordinates","291564","2024-05-05","01:37:07",""
"1571301","22.681","0.005","13.694","0.003","35.586","0.007","90","","101.482","0.004","90","","10832","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48.75 H32.25 N9.25 O14 Tb2 -","- C48.75 H32.25 N9.25 O14 Tb2 -","- C390 H258 N74 O112 Tb16 -","8","1","","Wang, Xinrui; Gopalsamy, Karuppasamy; Clavier, Gilles; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","Lanthanide MOF-based luminescent sensor arrays for the detection of castration-resistant prostate cancer curing drugs and biomarkers.","Chemical science","2024","15","17","6488","6499","10.1039/d3sc06899d","","","0.71073","MoKα","","0.1329","0.1254","","","0.3347","0.3392","","","","","","1.005","","","","has coordinates,has disorder","291562","2024-05-05","01:35:37",""
"1571302","22.6951","0.0013","13.7413","0.0006","35.681","0.003","90","","101.363","0.006","90","","10909.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49.35 H33.25 Eu2 N9.45 O14 -","- C49.35 H33.25 Eu2 N9.45 O14 -","- C394.8 H266 Eu16 N75.6 O112 -","8","1","","Wang, Xinrui; Gopalsamy, Karuppasamy; Clavier, Gilles; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","Lanthanide MOF-based luminescent sensor arrays for the detection of castration-resistant prostate cancer curing drugs and biomarkers.","Chemical science","2024","15","17","6488","6499","10.1039/d3sc06899d","","x-ray","0.71073","MoKα","","0.0657","0.05","","","0.1109","0.1195","","","","","","1.086","","","","has coordinates,has disorder","291562","2024-05-05","01:35:40",""
"1571303","22.3154","0.0002","9.7484","0.0001","11.297","0.0001","90","","92.656","0.001","90","","2454.9","0.04","99.99","0.11","99.99","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C120 H128 O24 -","4","1","","Chen, Bolin; Zhang, Xijing; Yang, Yufen; Xu, Dongdong; Wu, Qianwei; Wang, Shibo; Bao, Shiqi; Zhang, Xuemei; Ding, Yahui; Wang, Liang; Chen, Yue","Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer.","Chemical science","2024","15","17","6397","6401","10.1039/d4sc01469c","","x-ray","1.54184","CuKα","","0.0379","0.0355","","","0.0902","0.0918","","","","","","1.05","","","","has coordinates","291560","2024-05-05","01:33:59",""
"1571304","8.5784","0.0007","8.7025","0.0004","9.1689","0.0005","101.163","0.004","92.706","0.006","105.082","0.005","644.96","0.07","301.17","0.1","301.17","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N O -","- C10 H12.6667 N0.666667 O1.33333 -","- C30 H38 N2 O4 -","3","1.5","","Chen, Bolin; Zhang, Xijing; Yang, Yufen; Xu, Dongdong; Wu, Qianwei; Wang, Shibo; Bao, Shiqi; Zhang, Xuemei; Ding, Yahui; Wang, Liang; Chen, Yue","Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer.","Chemical science","2024","15","17","6397","6401","10.1039/d4sc01469c","","x-ray","1.54184","CuKα","","0.0615","0.0517","","","0.1588","0.1668","","","","","","0.908","","","","has coordinates","291560","2024-05-05","01:34:02",""
"1571305","11.361","0.004","20.063","0.007","9.862","0.004","90","","116.079","0.016","90","","2019","1.3","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.","All-visible-light-driven stiff-stilbene photoswitches.","Chemical science","2024","15","18","6763","6769","10.1039/d4sc00983e","","","0.71073","MoKα","","0.0843","0.0547","","","0.1097","0.1258","","","","","","1.026","","","","has coordinates","292917","2024-07-05","15:06:26",""
"1571306","13.2599","0.0018","8.8008","0.0013","15.7527","0.0019","90","","110.535","0.005","90","","1721.5","0.4","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.","All-visible-light-driven stiff-stilbene photoswitches.","Chemical science","2024","15","18","6763","6769","10.1039/d4sc00983e","","","0.71073","MoKα","","0.0971","0.0612","","","0.1238","0.1476","","","","","","1.061","","","","has coordinates","292917","2024-07-05","15:06:27",""
"1571307","9.6167","0.0008","12.0209","0.001","18.8367","0.0016","90","","90","","90","","2177.5","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.","All-visible-light-driven stiff-stilbene photoswitches.","Chemical science","2024","15","18","6763","6769","10.1039/d4sc00983e","","","0.71073","MoKα","","0.0766","0.0545","","","0.1163","0.1297","","","","","","1.025","","","","has coordinates","292917","2024-07-05","15:06:27",""
"1571308","13.827","0.0008","11.0385","0.0005","16.8969","0.0007","90","","92.719","0.004","90","","2576.1","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N2 O3 S -","- C32 H26 N2 O3 S -","- C128 H104 N8 O12 S4 -","4","1","","Chaturvedi, Atul K.; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(iii)-catalyzed sp<sup>3</sup>/sp<sup>2</sup>-C-H heteroarylations <i>via</i> cascade C-H activation and cyclization.","Chemical science","2024","15","17","6544","6551","10.1039/d3sc06955a","","x-ray","0.71073","MoKα","","0.0734","0.0494","","","0.1101","0.126","","","","","","1.021","","","","has coordinates","291563","2024-05-05","01:36:04",""
"1571309","9.3547","0.0002","11.556","0.0003","12.3884","0.0003","88.421","0.002","69.933","0.002","76.069","0.002","1218.69","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 N2 O2 S -","- C31 H24 N2 O2 S -","- C62 H48 N4 O4 S2 -","2","1","","Chaturvedi, Atul K.; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(iii)-catalyzed sp<sup>3</sup>/sp<sup>2</sup>-C-H heteroarylations <i>via</i> cascade C-H activation and cyclization.","Chemical science","2024","15","17","6544","6551","10.1039/d3sc06955a","","","1.54184","CuKα","","0.0827","0.0683","","","0.1885","0.2237","","","","","","1.033","","","","has coordinates","291563","2024-05-05","01:36:06",""
"1571313","4.4453","0.0006","8.1098","0.001","12.7463","0.0018","90","","90","","90","","459.51","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- As B F H4 N O4 -","- As B F H4 N O4 -","- As4 B4 F4 H16 N4 O16 -","4","1","","Bai, Zhiyong; Lee, Jihyun; Hu, Chun-Li; Zou, Guohong; Ok, Kang Min","Hydrogen bonding bolstered head-to-tail ligation of functional chromophores in a 0D SbF<sub>3</sub>·glycine adduct for a short-wave ultraviolet nonlinear optical material.","Chemical science","2024","15","17","6572","6576","10.1039/d4sc01353k","","x-ray","1.3405","GaKα","","0.0667","0.0616","","","0.1548","0.1764","","","","","","1.154","","","","has coordinates","291565","2024-05-05","01:37:30",""
"1571314","21.54594","0.00012","25.73674","0.00014","29.44669","0.00016","73.2304","0.0005","71.3145","0.0005","72.7778","0.0005","14432.2","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H184 N6 O24 -","- C126 H112 N6 O10 -","- C504 H448 N24 O40 -","4","2","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","","0.1194","0.1109","","","0.3439","0.353","","","","","","1.053","","","","has coordinates,has disorder","291556","2024-05-05","01:31:18",""
"1571315","22.249","0.001","42.9082","0.0014","23.6046","0.0004","90","","92.591","0.003","90","","22511.4","1.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C220 H264 N6 O21 -","- C176 H176 N6 O10 -","- C704 H704 N24 O40 -","4","1","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","","0.1168","0.0879","","","0.2385","0.272","","","","","","1.002","","","","has coordinates","291556","2024-05-05","01:31:22",""
"1571316","20.2715","0.0006","42.387","0.003","25.285","0.0007","90","","91.715","0.002","90","","21716.4","1.8","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C182 H230 N12 O31 -","- C122 H110 N12 O10 -","- C488 H440 N48 O40 -","4","2","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","K-L~3~","0.1101","0.0898","","","0.2452","0.2739","","","","","","1.07","","","","has coordinates","291556","2024-05-05","01:31:22",""
"1571317","11.4532","0.0005","29.5233","0.0009","23.5755","0.0008","90","","97.369","0.004","90","","7905.9","0.5","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H139 Fe2 N6 P8 Si4 Sm -","- C55 H139 Fe2 N6 P8 Si4 Sm -","- C220 H556 Fe8 N24 P32 Si16 Sm4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.1143","0.0585","","","0.103","0.1237","","","","","","0.976","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571318","20.9865","0.0004","19.1066","0.0005","25.5457","0.0005","90","","90","","90","","10243.3","0.4","200.15","","200.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H84 Fe N4 P4 Si4 Sm -","- C32 H84 Fe N4 P4 Si4 Sm -","- C256 H672 Fe8 N32 P32 Si32 Sm8 -","8","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0532","0.0378","","","0.0905","0.0995","","","","","","1.02","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571319","10.35562","0.00015","36.8715","0.0003","14.64313","0.00018","90","","99.5143","0.0013","90","","5514.24","0.12","200.07","0.16","200.07","0.16","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H93.2 Fe N4 O P4 Si4 Yb -","- C36 H93.2 Fe N4 O P4 Si4 Yb -","- C144 H372.8 Fe4 N16 O4 P16 Si16 Yb4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0342","0.0314","","","0.08","0.0821","","","","","","1.066","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571320","16.81721","0.00016","19.7326","0.0002","20.13034","0.00017","90","","90","","90","","6680.2","0.11","140","0.1","140","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H111 Fe N2 O3 P4 U -","- C62 H111 Fe N2 O3 P4 U -","- C248 H444 Fe4 N8 O12 P16 U4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0283","0.0263","","","0.0621","0.063","","","","","","1.091","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571321","11.6015","0.00016","18.3958","0.0002","27.5562","0.0004","90","","94.1162","0.0012","90","","5865.84","0.13","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H102 Fe N5 P4 Si6 Tm -","- C38 H102 Fe N5 P4 Si6 Tm -","- C152 H408 Fe4 N20 P16 Si24 Tm4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0497","0.0421","","","0.1111","0.1151","","","","","","1.046","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571322","11.56977","0.00016","19.2708","0.0005","27.3324","0.0007","78.622","0.002","89.5036","0.0015","89.1024","0.0016","5973.4","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H102 Ce Fe N5 P4 Si6 -","- C38 H102 Ce Fe N5 P4 Si6 -","- C152 H408 Ce4 Fe4 N20 P16 Si24 -","4","2","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0721","0.0645","","","0.1805","0.1889","","","","","","1.04","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571323","11.8173","0.0005","18.0593","0.0007","27.8343","0.0012","90","","93.235","0.004","90","","5930.7","0.4","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H102 Fe N5 P4 Si6 Sm -","- C38 H102 Fe N5 P4 Si6 Sm -","- C152 H408 Fe4 N20 P16 Si24 Sm4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0843","0.0659","","","0.188","0.204","","","","","","1.081","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571324","11.6319","0.0005","18.3899","0.0009","27.7329","0.0015","90","","94.323","0.004","90","","5915.5","0.5","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H102 Dy Fe N5 P4 Si6 -","- C38 H102 Dy Fe N5 P4 Si6 -","- C152 H408 Dy4 Fe4 N20 P16 Si24 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.1082","0.0603","","","0.1242","0.1357","","","","","","0.867","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571325","11.55749","0.00016","19.2532","0.0003","27.3197","0.0005","78.7323","0.0015","89.482","0.0013","89.047","0.0012","5961.04","0.17","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H102 Fe N5 P4 Si6 U -","- C38 H102 Fe N5 P4 Si6 U -","- C152 H408 Fe4 N20 P16 Si24 U4 -","4","2","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0367","0.0306","","","0.069","0.0716","","","","","","1.008","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571326","12.599","0.006","25.838","0.011","13.639","0.006","90","","116.756","0.005","90","","3965","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H20 F6 Fe N8 Ti -","- C24 H20 F6 Fe N8 Ti -","- C96 H80 F24 Fe4 N32 Ti4 -","4","0.5","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.1415","0.0835","","","0.2181","0.2385","","","","","","1.039","","","","has coordinates","291557","2024-05-05","01:31:57",""
"1571327","13.517","0.016","25.27","0.03","12.693","0.015","90","","117.986","0.016","90","","3829","8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co F6 N8 Zr -","- C24 H20 Co F6 N8 Zr -","- C96 H80 Co4 F24 N32 Zr4 -","4","1","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.1347","0.0775","","","0.1522","0.1684","","","","","","1.018","","","","has coordinates","291557","2024-05-05","01:32:03",""
"1571328","13.709","0.008","25.837","0.015","12.83","0.008","90","","117.798","0.007","90","","4020","4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F6 Fe N8 O0 Zr -","- C24 H20 F6 Fe N8 Zr -","- C96 H80 F24 Fe4 N32 Zr4 -","4","1","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.2202","0.1532","","","0.3496","0.3803","","","","","","1.108","","","","has coordinates","291557","2024-05-05","01:32:03",""
"1571329","13.667","0.008","25.634","0.014","12.72","0.007","90","","115.987","0.008","90","","4006","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co F6 N8 Ti -","- C24 H20 Co F6 N8 Ti -","- C96 H80 Co4 F24 N32 Ti4 -","4","1","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.116","0.0591","","","0.1478","0.1635","","","","","","1.01","","","","has coordinates","291557","2024-05-05","01:32:03",""
"1571330","5.5635","0.0002","9.3426","0.0003","15.419","0.0005","98.598","0.001","96.263","0.001","103.897","0.001","760.41","0.04","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Bi O10 S2 -","- C14 H8 Bi O10 S2 -","- C28 H16 Bi2 O20 S4 -","2","1","","Shi, Cai; Gomez-Mendoza, Miguel; Gómez de Oliveira, Eloy; García-Tecedor, Miguel; Barawi, Mariam; Esteban-Betegón, Fátima; Liras, Marta; Gutiérrez-Puebla, Enrique; Monge, Angeles; de la Peña O'Shea, Víctor A; Gándara, Felipe","An anthraquinone-based bismuth-iron metal-organic framework as an efficient photoanode in photoelectrochemical cells.","Chemical science","2024","15","18","6860","6866","10.1039/d4sc00980k","","x-ray","1.54184","CuKα","","0.0238","0.023","","","0.0679","0.0686","","","","","","1.103","","","","has coordinates","292909","2024-07-05","15:03:45",""
"1571331","32.9343","0.0014","6.5367","0.0003","15.9709","0.0007","90","","93.563","0.001","90","","3431.6","0.3","250","","250.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 Bi2 Fe2 O23 S4 -","- C28 H12 Bi2 Fe2 O23 S4 -","- C112 H48 Bi8 Fe8 O92 S16 -","4","0.5","","Shi, Cai; Gomez-Mendoza, Miguel; Gómez de Oliveira, Eloy; García-Tecedor, Miguel; Barawi, Mariam; Esteban-Betegón, Fátima; Liras, Marta; Gutiérrez-Puebla, Enrique; Monge, Angeles; de la Peña O'Shea, Víctor A; Gándara, Felipe","An anthraquinone-based bismuth-iron metal-organic framework as an efficient photoanode in photoelectrochemical cells.","Chemical science","2024","15","18","6860","6866","10.1039/d4sc00980k","","x-ray","1.54178","CuKα","","0.0372","0.0372","","","0.0939","0.0939","","","","","","1.103","","","","has coordinates","292909","2024-07-05","15:03:46",""
"1571332","17.7326","0.0006","17.7326","0.0006","7.7899","0.0003","90","","90","","120","","2121.33","0.13","300","","300","","","","","","","","","4","P -6","P -6","174","","","","- Ba Ga6 Mg6 Se16 -","- Ba Ga6 Mg6 Se16 -","- Ba3 Ga18 Mg18 Se48 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0338","0.0261","","","0.0618","0.067","","","","","","1.022","","","","has coordinates","291559","2024-05-05","01:33:19",""
"1571333","17.5327","0.0003","17.5327","0.0003","7.7603","0.0002","90","","90","","120","","2065.89","0.07","273.15","","273.15","","","","","","","","","4","P -6","P -6","174","","","","- Ca Ga6 Mg6 Se16 -","- Ca Ga6 Mg6 Se16 -","- Ca3 Ga18 Mg18 Se48 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0537","0.0389","","","0.0989","0.1089","","","","","","1.081","","","","has coordinates","291559","2024-05-05","01:33:29",""
"1571334","17.6115","0.0009","17.6115","0.0009","7.7684","0.0003","90","","90","","120","","2086.68","0.17","300","","300","","","","","","","","","4","P -6","P -6","174","","","","- Ga6 Mg6 Se16 Sr -","- Ga6 Mg6 Se16 Sr -","- Ga18 Mg18 Se48 Sr3 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0394","0.0243","","","0.0574","0.0647","","","","","","1.023","","","","has coordinates","291559","2024-05-05","01:33:29",""
"1571335","25.8699","0.0002","14.53966","0.00015","7.44906","0.00008","90","","90","","90","","2801.89","0.05","100","0.11","100","0.11","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C136 H128 N16 -","8","2","","Saleh, Nidal; Sucre-Rosales, Estefanía; Zinna, Francesco; Besnard, Céline; Vauthey, Eric; Lacour, Jérôme","Axially-chiral boramidine for detailed (chir)optical studies.","Chemical science","2024","15","17","6530","6535","10.1039/d4sc00870g","","x-ray","1.54184","CuKα","","0.0301","0.0292","","","0.0752","0.0759","","","","","","1.074","","","","has coordinates","291558","2024-05-05","01:32:27",""
"1571336","14.6488","0.0001","23.2014","0.0002","18.0516","0.0001","90","","95.193","0.001","90","","6110.06","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H67 Cl2 Si4 Sn2 -","- C69 H67 Cl2 Si4 Sn2 -","- C276 H268 Cl8 Si16 Sn8 -","4","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.4139","Synchrotron","","0.0262","0.0233","","","0.0611","0.0622","","","","","","1.056","","","","has coordinates","292891","2024-07-05","14:58:28",""
"1571337","14.5967","0.0005","23.35","0.0008","18.0604","0.0006","90","","94.819","0.003","90","","6133.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H67 Br2 Si4 Sn2 -","- C69 H67 Br2 Si4 Sn2 -","- C276 H268 Br8 Si16 Sn8 -","4","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.07","0.0504","","","0.0963","0.1049","","","","","","1.103","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571338","11.2316","0.0003","12.9893","0.0004","17.563","0.0005","70.964","0.003","75.647","0.003","84.203","0.003","2345.98","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 O2 Si4 Sn -","- C54 H56 O2 Si4 Sn -","- C108 H112 O4 Si8 Sn2 -","2","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0304","0.0264","","","0.0597","0.0614","","","","","","1.028","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571339","10.8346","0.0002","15.7565","0.0003","26.9143","0.0005","90","","90.212","0.002","90","","4594.65","0.15","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Si4 Sn -","- C54 H52 Si4 Sn -","- C216 H208 Si16 Sn4 -","4","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0288","0.0243","","","0.071","0.0733","","","","","","1.044","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571340","10.0462","0.0004","10.6969","0.0004","12.2851","0.0003","81.137","0.002","74.219","0.003","66.744","0.004","1165.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H52 Si4 Sn2 -","- C54 H52 Si4 Sn2 -","- C54 H52 Si4 Sn2 -","1","0.5","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0168","0.0166","","","0.0435","0.0436","","","","","","1.046","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571341","11.5084","0.0004","13.1355","0.0005","17.4215","0.0007","71.074","0.004","75.05","0.004","84.125","0.003","2406.38","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H60 Si4 Sn -","- C56 H60 Si4 Sn -","- C112 H120 Si8 Sn2 -","2","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0298","0.027","","","0.0546","0.0556","","","","","","1.059","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571342","14.49307","0.00015","14.6781","0.00014","20.2591","0.0003","89.6876","0.0009","88.754","0.001","89.3655","0.0008","4308.39","0.09","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90.5 H112 Ce O10 Si4 -","- C90.5 H112 Ce O10 Si4 -","- C181 H224 Ce2 O20 Si8 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0408","0.0354","","","0.0863","0.0887","","","","","","1.022","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571343","13.9674","0.0004","18.1707","0.0004","21.7736","0.0004","89.0799","0.0015","88.765","0.002","87.017","0.002","5516.7","0.2","140.01","0.1","140.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H77 O10 Si3 Tb -","- C52 H77 O10 Si3 Tb -","- C208 H308 O40 Si12 Tb4 -","4","2","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0585","0.0421","","","0.0986","0.1072","","","","","","1.018","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571344","11.1371","0.0002","14.2669","0.0003","24.2013","0.0005","106.086","0.0017","99.498","0.0018","93.6846","0.0016","3619.56","0.13","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H85 O6 Si3 Tb -","- C86 H85 O6 Si3 Tb -","- C172 H170 O12 Si6 Tb2 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0356","0.0316","","","0.0762","0.0786","","","","","","1.029","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571345","13.79296","0.00019","22.3194","0.0002","18.4603","0.0002","90","","91.7441","0.0012","90","","5680.38","0.11","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 N3 O3 Si3 Tb -","- C66 H54 N3 O3 Si3 Tb -","- C264 H216 N12 O12 Si12 Tb4 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.065","0.0516","","","0.1396","0.1472","","","","","","1.035","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571346","11.2033","0.0003","14.3534","0.0003","24.5094","0.0005","106.235","0.0018","99.3584","0.0018","93.8891","0.0017","3706.91","0.15","200","0.11","200","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C86 H85 Ce O6 Si3 -","- C86 H85 Ce O6 Si3 -","- C172 H170 Ce2 O12 Si6 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0421","0.0363","","","0.0891","0.0947","","","","","","1.011","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571347","14.7864","0.0003","14.7864","0.0003","55.7285","0.001","90","","90","","120","","10552","0.4","199.99","0.12","199.99","0.12","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C98.8 H149.6 K O18.2 Si4 Tb -","- C87.9996 H127.999 K O15.4999 Si4 Tb -","- C351.998 H511.997 K4 O61.9996 Si16 Tb4 -","4","0.333333","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0751","0.0695","","","0.1709","0.1747","","","","","","1.074","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571348","11.1967","0.0004","14.3423","0.0005","24.4587","0.0006","106.237","0.003","99.362","0.003","93.699","0.003","3695.7","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H85 O6 Pr Si3 -","- C86 H85 O6 Pr Si3 -","- C172 H170 O12 Pr2 Si6 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0312","0.027","","","0.0668","0.0692","","","","","","1.021","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571349","14.87393","0.00016","14.87393","0.00016","55.4259","0.0007","90","","90","","120","","10619.3","0.2","200","0.11","200","0.11","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C88 H128 Ce K O15.5 Si4 -","- C87.9996 H127.999 Ce K O15.4999 Si4 -","- C351.998 H511.997 Ce4 K4 O61.9996 Si16 -","4","0.333333","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0588","0.0581","","","0.1554","0.1561","","","","","","1.088","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571350","15.94855","0.00011","22.45159","0.00016","25.0337","0.00019","90","","90","","90","","8963.82","0.11","139.99","0.1","139.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C102 H108 Ce O10 Si4 -","- C94 H92 Ce O8 Si4 -","- C376 H368 Ce4 O32 Si16 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0431","0.0409","","","0.1073","0.1097","","","","","","1.03","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571351","17.6194","0.0003","13.8469","0.0003","31.8914","0.0005","90","","91.3763","0.0014","90","","7778.4","0.2","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H73.5 N4.5 O4 Si4 Tb -","- C84 H69 N3 O4 Si4 Tb -","- C336 H276 N12 O16 Si16 Tb4 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0555","0.0412","","","0.0997","0.1069","","","","","","1.068","","","","has coordinates","292913","2024-07-05","15:05:16",""
"1571352","13.6564","0.0001","43.2742","0.0005","14.2403","0.0001","90","","100.185","0.001","90","","8282.97","0.13","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H81 K N7 O4 Pr Si4 -","- C86 H72 K N4 O4 Pr Si4 -","- C344 H288 K4 N16 O16 Pr4 Si16 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0693","0.0597","","","0.1539","0.161","","","","","","1.02","","","","has coordinates","292913","2024-07-05","15:05:16",""
"1571353","14.6865","0.0006","15.3137","0.0006","18.9586","0.0006","87.191","0.003","67.976","0.003","65.256","0.004","3560.2","0.3","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C168 H142 K2 N4 O9 Si8 Tb2 -","- C164 H132 K2 N4 O8 Si8 Tb2 -","- C164 H132 K2 N4 O8 Si8 Tb2 -","1","0.5","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0378","0.0335","","","0.0841","0.0871","","","","","","1.018","","","","has coordinates","292913","2024-07-05","15:05:16",""
"1571354","14.0838","0.0014","14.2282","0.0017","21.775","0.003","77.38","0.01","74.179","0.009","63.234","0.011","3725","0.9","200","0.11","200","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C88.5 H72 K O4 Si4 Tb -","- C85 H68 K O4 Si4 Tb -","- C170 H136 K2 O8 Si8 Tb2 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.1308","0.085","","","0.2142","0.2509","","","","","","1.0844","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571356","19.0635","0.0002","15.8724","0.0002","21.4307","0.0002","90","","91.957","0.001","90","","6480.79","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N9 O4 -","- C33 H35 N9 O4 -","- C264 H280 N72 O32 -","8","2","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0542","0.0472","","","0.1293","0.1355","","","","","","1.027","","","","has coordinates,has disorder","290771","2024-04-04","00:51:18",""
"1571357","10.0108","0.0002","12.9368","0.0003","17.2186","0.0004","105.174","0.002","98.881","0.002","107.685","0.002","1983.04","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H43 N9 O4 -","- C45 H43 N9 O4 -","- C90 H86 N18 O8 -","2","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0373","0.0365","","","0.0922","0.0928","","","","","","0.999","","","","has coordinates","290771","2024-04-04","00:51:19",""
"1571358","11.1997","0.0001","11.6776","0.0002","15.8142","0.0003","74.25","0.002","73.224","0.001","70.731","0.002","1833.45","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","lxc-200-3","","- C40 H40 Br N9 O4 -","- C40 H40 Br N9 O4 -","- C80 H80 Br2 N18 O8 -","2","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","x-ray","1.54184","CuKα","","0.0325","0.0313","","","0.0801","0.0808","","","","","","1.033","","","","has coordinates","290771","2024-04-04","00:51:19",""
"1571359","24.616","0.0007","13.0934","0.0005","9.9979","0.0003","90","","90","","90","","3222.39","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C34 H37 N9 O4 -","- C34 H37 N9 O4 -","- C136 H148 N36 O16 -","4","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","x-ray","1.54184","CuKα","","0.0468","0.042","","","0.1057","0.114","","","","","","1.116","","","","has coordinates,has disorder","290771","2024-04-04","00:51:19",""
"1571360","14.2497","0.0002","36.7753","0.0005","14.495","0.0002","90","","90","","90","","7595.92","0.18","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34.5 H38 Cl N9 O5 -","- C34.5 H37 Cl N9 O5 -","- C276 H296 Cl8 N72 O40 -","8","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0893","0.0857","","","0.2538","0.2575","","","","","","1.202","","","","has coordinates,has disorder","290771","2024-04-04","00:51:20",""
"1571361","17.0775","0.0001","17.0775","0.0001","48.3005","0.0003","90","","90","","120","","12199.2","0.13","100","2","100","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C36.25 H42 N9 O4.5 -","- C36.25 H41 N9 O4.5 -","- C435 H492 N108 O54 -","12","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0571","0.0539","","","0.1454","0.1486","","","","","","1.014","","","","has coordinates,has disorder","290771","2024-04-04","00:51:20",""
"1571362","18.719","0.004","21.435","0.004","30.531","0.006","72.94","0.03","89.08","0.03","88.27","0.03","11706","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C157 H222 N66 O60.5 Pd8 S4 -","- C157 H222 N66 O60.5 Pd8 S4 -","- C314 H444 N132 O121 Pd16 S8 -","2","1","","Prajapati, Dharmraj; Bhandari, Pallab; Zangrando, Ennio; Mukherjee, Partha Sarathi","A water-soluble Pd<sub>4</sub> molecular tweezer for selective encapsulation of isomeric quinones and their recyclable extraction.","Chemical science","2024","15","10","3616","3624","10.1039/d3sc05093a","","","0.7","synchrotron","","0.0607","0.0571","","","0.175","0.1789","","","","","","1.025","","","","has coordinates,has disorder","290772","2024-04-04","00:51:50",""
"1571363","24.228","0.0007","19.8535","0.0004","27.1355","0.0009","90","","114.199","0.004","90","","11905.5","0.7","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H100 Fe K N2 O9 Si -","- C57 H100 Fe K N2 O9 Si -","- C456 H800 Fe8 K8 N16 O72 Si8 -","8","2","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","0.71073","MoKα","","0.0889","0.0725","","","0.168","0.1809","","","","","","1.107","","","","has coordinates","290773","2024-04-04","00:53:15",""
"1571364","10.6104","0.0005","20.3504","0.0008","17.3268","0.0008","90","","95.909","0.004","90","","3721.4","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 Fe N4 Si2 -","- C35 H57 Fe N4 Si2 -","- C140 H228 Fe4 N16 Si8 -","4","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.1047","0.0819","","","0.2318","0.2464","","","","","","1.087","","","","has coordinates,has disorder","290773","2024-04-04","00:53:16",""
"1571365","8.6993","0.0004","12.0566","0.0004","18.0449","0.0006","88.974","0.003","82.392","0.003","83.828","0.003","1865.07","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 Fe N4 Si2 -","- C36 H60 Fe N4 Si2 -","- C72 H120 Fe2 N8 Si4 -","2","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.06","0.0533","","","0.1468","0.1613","","","","","","1.16","","","","has coordinates,has disorder","290773","2024-04-04","00:53:16",""
"1571366","10.38","0.0004","11.5329","0.0004","20.2705","0.0006","76","0.003","82.547","0.003","72.992","0.003","2247","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 Fe N4 Si3 -","- C39 H68 Fe N4 Si3 -","- C78 H136 Fe2 N8 Si6 -","2","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0488","0.0455","","","0.1182","0.1211","","","","","","1.051","","","","has coordinates","290773","2024-04-04","00:53:16",""
"1571367","10.1151","0.0001","17.6923","0.0002","20.5843","0.0003","90","","90","","90","","3683.75","0.08","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H57 Fe N3 Si2 -","- C35 H57 Fe N3 Si2 -","- C140 H228 Fe4 N12 Si8 -","4","0.5","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0521","0.0488","","","0.1297","0.1324","","","","","","1.1","","","","has coordinates,has disorder","290773","2024-04-04","00:53:17",""
"1571368","13.0503","0.0006","13.4395","0.0006","20.4096","0.0007","83.732","0.003","71.934","0.004","66.707","0.004","3125.4","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H88 Fe K N2 O8 -","- C56 H88 Fe K N2 O8 -","- C112 H176 Fe2 K2 N4 O16 -","2","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0901","0.0734","","","0.1986","0.2118","","","","","","1.045","","","","has coordinates,has disorder","290773","2024-04-04","00:53:17",""
"1571369","11.9946","0.0002","19.7217","0.0003","17.1523","0.0003","90","","95.257","0.001","90","","4040.38","0.12","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 Fe N4 Si2 -","- C41 H62 Fe N4 Si2 -","- C164 H248 Fe4 N16 Si8 -","4","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0313","0.0295","","","0.0733","0.0744","","","","","","1.037","","","","has coordinates","290773","2024-04-04","00:53:17",""
"1571370","4.00906","0.00004","11.18764","0.0001","28.593","0.0002","90","","90","","90","","1282.45","0.019","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O5 -","- C14 H11 N O5 -","- C56 H44 N4 O20 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0402","0.0387","","","0.1019","0.1035","","","","","","1.1213","","","","has coordinates,has disorder","290774","2024-04-04","00:54:35",""
"1571371","4.0056","0.0002","11.2133","0.0004","28.6053","0.0011","90","","90","","90","","1284.84","0.09","288","15","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br0.1 N0.9 O4.8 -","- C14 H10 Br0.1 N0.9 O4.8 -","- C56 H40 Br0.4 N3.6 O19.2 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0579","0.0484","","","0.1301","0.1362","","","","","","1.064","","","","has coordinates,has disorder","290774","2024-04-04","00:54:36",""
"1571372","6.9794","0.0001","7.6259","0.0001","12.3471","0.0001","93.144","0.001","97.362","0.001","94.061","0.001","648.752","0.014","100.01","0.12","100.01","0.12","","","","","","","","4","P 1","P 1","1","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C30 H26 N2 O10 -","2","2","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","x-ray","1.54184","CuKα","","0.0346","0.0345","","","0.0925","0.0927","","","","","","0.99","","","","has coordinates","290774","2024-04-04","00:54:36",""
"1571373","3.9536","0.0001","11.245","0.0001","30.6382","0.0005","90","","90","","90","","1362.12","0.04","285","12","285","12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0445","0.0416","","","0.1199","0.1231","","","","","","1.073","","","","has coordinates,has disorder","290774","2024-04-04","00:54:36",""
"1571375","11.43405","0.00006","11.43405","0.00006","25.89293","0.00013","90","","90","","120","","2931.65","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C25 H25.17 N O2.08 -","- C25 H25.1666 N O2.0833 -","- C150 H151 N6 O12.4998 -","6","1","","Chen, Bin; Pan, Bendu; He, Xiaobo; Jiang, Long; Chan, Albert S. C.; Qiu, Liqin","Access to chiral dihydrophenanthridines <i>via</i> a palladium(0)-catalyzed Suzuki coupling and C-H arylation cascade reaction using new chiral-bridged biphenyl bifunctional ligands.","Chemical science","2024","15","18","6884","6890","10.1039/d4sc00621f","","x-ray","1.54184","CuKα","","0.0275","0.0272","","","0.0729","0.0733","","","","","","1.026","","","","has coordinates,has disorder","292914","2024-07-05","15:05:26",""
"1571399","13.8153","0.0004","5.447","0.0002","9.6098","0.0003","90","","90","","90","","723.16","0.04","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F6 O3 Pb2 Se Si -","- F6 O3 Pb2 Se Si -","- F24 O12 Pb8 Se4 Si4 -","4","0.5","","Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","Pb<sub>2</sub>(SeO<sub>3</sub>)(SiF<sub>6</sub>): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification.","Chemical science","2024","15","19","7104","7110","10.1039/d4sc01376j","","","0.71073","MoKα","","0.0199","0.0189","","","0.0459","0.0465","","","","","","1.03","","","","has coordinates","292885","2024-07-05","14:16:06",""
"1571400","9.2665","0.0011","16.7883","0.0016","6.7319","0.0009","90","","90","","90","","1047.3","0.2","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H5.5 N0.5 O -","- C6 H5.5 N0.5 O -","- C48 H44 N4 O8 -","8","1","","Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng","Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.","Chemical science","2024","15","17","6515","6521","10.1039/d4sc01355g","","x-ray","0.71073","MoKα","","0.0687","0.0499","","","0.1216","0.1358","","","","","","1.022","","","","has coordinates,has disorder","291561","2024-05-05","01:34:55",""
"1571401","10.8146","0.0001","14.7684","0.0002","15.0422","0.0002","90","","93.05","0.001","90","","2399.05","0.05","303.33","0.1","303.33","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 B F4 N O P -","- C25 H25 B F4 N O P -","- C100 H100 B4 F16 N4 O4 P4 -","4","1","","Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng","Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.","Chemical science","2024","15","17","6515","6521","10.1039/d4sc01355g","","x-ray","1.54184","CuKα","","0.0469","0.0445","","","0.1298","0.1317","","","","","","1.109","","","","has coordinates","291561","2024-05-05","01:35:00",""
"1571402","7.4015","0.0004","8.5478","0.0006","11.0934","0.0005","96.71","0.004","92.275","0.004","111.131","0.006","647.62","0.07","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br0.97 N O3 -","- C15 H11 Br0.975 N O3 -","- C30 H22 Br1.95 N2 O6 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","0.71073","MoKα","","0.0704","0.0488","","","0.1232","0.1404","","","","","","1.199","","","","has coordinates,has disorder","292912","2024-07-05","15:04:22",""
"1571403","9.5671","0.0002","6.22015","0.00011","14.7354","0.0003","90","","104.31","0.002","90","","849.68","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H16 Br N O3 -","- C21 H16 Br N O3 -","- C42 H32 Br2 N2 O6 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","1.54184","CuKα","","0.0383","0.037","","","0.0985","0.0999","","","","","","1.047","","","","has coordinates","292912","2024-07-05","15:04:22",""
"1571404","8.6432","0.0006","5.5418","0.0003","22.9285","0.0012","90","","99","0.006","90","","1084.73","0.11","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br2 N2 O6 -","- C22 H20 Br2 N2 O6 -","- C44 H40 Br4 N4 O12 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","","0.71073","MoKα","","0.0694","0.039","","","0.0724","0.0827","","","","","","1.009","","","","has coordinates","292912","2024-07-05","15:04:22",""
"1571405","7.3573","0.0004","8.0361","0.0006","21.7154","0.0013","90","","93.798","0.006","90","","1281.08","0.14","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br0.97 N O3 -","- C15 H11 Br0.9689 N O3 -","- C60 H44 Br3.8756 N4 O12 -","4","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","0.71073","MoKα","","0.0829","0.0542","","","0.1049","0.1114","","","","","","1.171","","","","has coordinates,has disorder","292912","2024-07-05","15:04:22",""
"1571406","6.3065","0.0003","13.7236","0.0004","34.6883","0.0012","90","","90","","90","","3002.2","0.2","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Br2 N3 O6 -","- C34 H28 Br2 N2 O6 -","- C136 H112 Br8 N8 O24 -","4","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","1.54184","CuKα","","0.1362","0.1254","","","0.3595","0.3757","","","","","","1.546","","","","has coordinates","292912","2024-07-05","15:04:22",""
"1571408","23.6038","0.0016","12.3774","0.0009","17.1095","0.0011","90","","90","","90","","4998.6","0.6","170","","170","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C59 H44 F6 O7 S4 -","- C59 H44 F6 O7 S4 -","- C236 H176 F24 O28 S16 -","4","0.5","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","1.34139","GaKα","","0.1018","0.0667","","","0.1613","0.1835","","","","","","1.042","","","","has coordinates,has disorder","292911","2024-07-05","15:04:12",""
"1571409","8.1621","0.0003","11.298","0.0004","16.5498","0.0006","90","","94.61","0.002","90","","1521.21","0.1","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H31 P S -","- C40 H31 P S -","- C80 H62 P2 S2 -","2","1","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","0.71073","MoKα","","0.0401","0.0371","","","0.0925","0.0951","","","","","","1.074","","","","has coordinates","292911","2024-07-05","15:04:12",""
"1571410","11.039","0.0006","15.1879","0.0008","16.0708","0.0007","112.211","0.002","104.135","0.002","103.663","0.002","2251.2","0.2","170","","170","","","","","","","","","4","P 1","P 1","1","","","","- C39 H29 P S -","- C39 H29 P S -","- C117 H87 P3 S3 -","3","3","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","0.71073","MoKα","","0.0591","0.047","","","0.1012","0.1094","","","","","","1.08","","","","has coordinates","292911","2024-07-05","15:04:13",""
"1571411","9.2907","0.0003","14.7314","0.0004","21.2629","0.0006","90","","90","","90","","2910.15","0.15","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 O3 P -","- C34 H39 O3 P -","- C136 H156 O12 P4 -","4","1","","Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.","Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.","Chemical science","2024","15","19","7136","7143","10.1039/d4sc00692e","","x-ray","0.71073","MoKα","","0.0565","0.0467","","","0.1063","0.1149","","","","","","1.044","","","","has coordinates","292882","2024-07-05","14:15:38",""
"1571412","8.7082","0.0005","11.7522","0.0005","20.0325","0.0012","90","","90","","90","","2050.14","0.19","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 O5 P -","- C24 H21 O5 P -","- C96 H84 O20 P4 -","4","1","","Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.","Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.","Chemical science","2024","15","19","7136","7143","10.1039/d4sc00692e","","x-ray","0.71073","MoKα","","0.0616","0.0525","","","0.1323","0.1491","","","","","","0.881","","","","has coordinates","292882","2024-07-05","14:15:38",""
"1571413","12.6015","0.0003","16.8085","0.0002","14.3074","0.0003","90","","112.713","0.002","90","","2795.47","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl3 O3 P -","- C32 H23 O3 P -","- C128 H92 O12 P4 -","4","1","","Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.","Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.","Chemical science","2024","15","19","7136","7143","10.1039/d4sc00692e","","x-ray","0.71073","MoKα","","0.0681","0.0597","","","0.1533","0.1606","","","","","","1.062","","","","has coordinates","292882","2024-07-05","14:15:38",""
"1571414","7.5376","0.0009","7.932","0.0009","11.5935","0.0012","82.325","0.004","74.766","0.004","65.24","0.003","607.1","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H7 Br2 I -","- C12 H7 Br2 I -","- C24 H14 Br4 I2 -","2","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0399","0.0288","","","0.0641","0.0688","","","","","","1.019","","","","has coordinates","292910","2024-07-05","15:04:00",""
"1571415","7.5445","0.0003","7.7965","0.0003","11.5759","0.0004","81.165","0.001","73.519","0.001","64.541","0.001","589.13","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H7 Br Cl I -","- C12 H7 Br Cl I -","- C24 H14 Br2 Cl2 I2 -","2","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0234","0.0202","","","0.0425","0.0439","","","","","","1.094","","","","has coordinates","292910","2024-07-05","15:04:01",""
"1571416","7.3449","0.0002","15.539","0.0003","8.8357","0.0002","90","","104.827","0.001","90","","974.86","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl O -","- C13 H7 Cl O -","- C52 H28 Cl4 O4 -","4","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0324","0.0308","","","0.085","0.0865","","","","","","1.059","","","","has coordinates","292910","2024-07-05","15:04:01",""
"1571417","7.4022","0.0003","7.8572","0.0003","11.338","0.0004","83.992","0.001","76.446","0.001","65.073","0.001","581.33","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H7 Br3 -","- C12 H7 Br3 -","- C24 H14 Br6 -","2","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0287","0.0236","","","0.055","0.0574","","","","","","1.033","","","","has coordinates","292910","2024-07-05","15:04:01",""
"1571419","63.7924","0.001","9.6005","0.0001","17.2224","0.0002","90","","90.202","0.001","90","","10547.6","0.2","223.15","","223.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C3 H3 F3 Li N O3 S -","- C3 H3 F3 Li N O3 S -","- C180 H180 F180 Li60 N60 O180 S60 -","60","15","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","","1.54184","CuKα","","0.0624","0.0568","","","0.1364","0.1406","","","","","","1.029","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571420","5.544","0.0002","9.2231","0.0002","10.2431","0.0002","80.255","0.002","83.499","0.002","86.548","0.002","512.43","0.02","223.15","","223.15","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 Li N O3 S -","- C5 H9 F3 Li N O3 S -","- C10 H18 F6 Li2 N2 O6 S2 -","2","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","x-ray","1.54184","CuKα","","0.0659","0.0632","","","0.1781","0.1828","","","","","","1.125","","","","has coordinates","292890","2024-07-05","14:58:10",""
"1571421","5.4317","0.0002","7.1254","0.0003","8.5194","0.0003","95.165","0.003","96.669","0.003","104.049","0.003","315.3","0.02","223.15","","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 N2 O2 S -","- C4 H4 N2 O2 S -","- C8 H8 N4 O4 S2 -","2","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","x-ray","1.54184","CuKα","","0.0314","0.0308","","","0.0795","0.0799","","","","","","1.068","","","","has coordinates","292890","2024-07-05","14:58:10",""
"1571422","24.3674","0.0012","5.7733","0.0002","24.0521","0.0008","90","","105.238","0.004","90","","3264.7","0.2","223.15","","223.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 F3 Li N O4 S2 -","- C10 H19 F3 Li N O4 S2 -","- C80 H152 F24 Li8 N8 O32 S16 -","8","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","","1.54184","CuKα","","0.0767","0.0639","","","0.1895","0.1994","","","","","","1.115","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571423","10.398","0.0002","19.9938","0.0003","22.173","0.0004","90","","95.895","0.002","90","","4585.29","0.14","223.15","","223.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H44 F12 Li4 N4 O14 S5 -","- C24 H44 F12 Li4 N4 O14 S5 -","- C96 H176 F48 Li16 N16 O56 S20 -","4","0.5","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","x-ray","1.54184","CuKα","","0.0593","0.0543","","","0.1543","0.1601","","","","","","1.044","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571424","6.7137","0.0003","7.9569","0.0003","11.1702","0.0004","98.12","0.003","97.915","0.004","113.035","0.004","531.3","0.04","223.15","","223.15","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H9 Li N2 O3 S -","- C7 H9 Li N2 O3 S -","- C14 H18 Li2 N4 O6 S2 -","2","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","","1.54184","CuKα","","0.0546","0.053","","","0.1348","0.1364","","","","","","1.103","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571425","10.778","0.002","9.8031","0.0017","11.594","0.003","90","","117.183","0.007","90","","1089.7","0.4","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 B O3 P2 -","- C22 H27 B O3 P2 -","- C44 H54 B2 O6 P4 -","2","1","","Li, Longlong; Yu, Kui; An, Hejun; Cai, Xinping; Song, Qiuling","Enantioselective copper-catalyzed B-H bond insertion reaction of α-diazo phosphonates to access chiral α-boryl phosphonates.","Chemical science","2024","15","19","7130","7135","10.1039/d4sc01271b","","","0.71073","MoKα","","0.0572","0.0358","","","0.0809","0.102","","","","","","1.072","","","","has coordinates","292883","2024-07-05","14:15:48",""
"1571426","8.1744","0.0003","11.9929","0.0005","13.8763","0.0006","68.678","0.002","77.48","0.002","81.887","0.002","1234.2","0.09","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl4 Cu N6 O6 -","- C44 H50 Cl4 Cu N6 O6 -","- C44 H50 Cl4 Cu N6 O6 -","1","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","1.54178","CuKα","","0.0692","0.0585","","","0.152","0.1613","","","","","","1.064","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571427","8.5583","0.0009","21.737","0.003","12.8769","0.0019","90","","108.475","0.014","90","","2272.1","0.5","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 Mn N6 O6 -","- C44 H50 Cl4 Mn N6 O6 -","- C88 H100 Cl8 Mn2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.1362","0.0754","","","0.1829","0.2346","","","","","","0.967","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571428","8.4844","0.0001","20.9466","0.0002","12.8419","0.0001","90","","107.427","0.001","90","","2177.5","0.04","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl4 Mg N6 O6 -","- C42 H46 Cl4 Mg N6 O6 -","- C84 H92 Cl8 Mg2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0463","0.0431","","","0.1135","0.1169","","","","","","1.072","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571429","11.3205","0.0004","13.1","0.0005","15.6723","0.0006","113.727","0.001","98.624","0.001","97.298","0.001","2058.1","0.13","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Cl4 N6 O4 Zn -","- C42 H42 Cl4 N6 O4 Zn -","- C84 H84 Cl8 N12 O8 Zn2 -","2","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","1.54178","CuKα","","0.0391","0.0361","","","0.0943","0.0968","","","","","","1.051","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571430","14.8231","0.0001","14.7787","0.0001","19.9676","0.0002","90","","96.879","0.001","90","","4342.74","0.06","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cl4 N6 O5 Zn -","- C42 H44 Cl4 N6 O5 Zn -","- C168 H176 Cl16 N24 O20 Zn4 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0566","0.0486","","","0.1357","0.1454","","","","","","1.044","","","","has coordinates,has disorder","292886","2024-07-05","14:23:44",""
"1571431","21.7971","0.0005","8.3133","0.0002","21.527","0.0006","90","","90.584","0.002","90","","3900.62","0.17","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 Cl4 Cu N6 O4 -","- C39 H36 Cl4 Cu N6 O4 -","- C156 H144 Cl16 Cu4 N24 O16 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","1.54184","CuKα","","0.0717","0.0608","","","0.1626","0.175","","","","","","1.08","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571432","8.5133","0.0002","20.8959","0.0007","12.8879","0.0004","90","","107.409","0.001","90","","2187.65","0.11","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl4 Mn N6 O6 -","- C42 H46 Cl4 Mn N6 O6 -","- C84 H92 Cl8 Mn2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","0.71073","MoKα","","0.0369","0.0311","","","0.0802","0.0852","","","","","","1.075","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571433","8.5036","0.0001","21.7792","0.0003","12.8123","0.0002","90","","108.489","0.002","90","","2250.38","0.06","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 Mg N6 O6 -","- C44 H50 Cl4 Mg N6 O6 -","- C88 H100 Cl8 Mg2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0421","0.0346","","","0.0893","0.0942","","","","","","1.048","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571434","8.1316","0.0003","10.8394","0.0003","24.3849","0.0007","90","","97.503","0.003","90","","2130.92","0.12","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl4 Cu N6 O6 -","- C42 H46 Cl4 Cu N6 O6 -","- C84 H92 Cl8 Cu2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0595","0.0526","","","0.1443","0.1532","","","","","","1.072","","","","has coordinates,has disorder","292886","2024-07-05","14:23:44",""
"1571435","15.7556","0.0003","15.5699","0.0003","16.1773","0.0003","90","","109.828","0.002","90","","3733.23","0.13","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Cl4 N6 O4 Zn -","- C39 H36 Cl4 N6 O4 Zn -","- C156 H144 Cl16 N24 O16 Zn4 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.058","0.0542","","","0.1465","0.1519","","","","","","1.059","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571436","14.7461","0.0003","14.5959","0.0003","19.2358","0.0003","90","","97.599","0.002","90","","4103.81","0.14","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 Cl4 N6 O5 Zn -","- C41 H42 Cl4 N6 O5 Zn -","- C164 H168 Cl16 N24 O20 Zn4 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0561","0.0524","","","0.1407","0.145","","","","","","1.027","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571438","10.7014","0.0007","11.5495","0.0006","14.4626","0.0009","96.02","0.002","109.788","0.002","111.822","0.002","1505.99","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1","","- C22 H35 B21 -","- C22 H35 B21 -","- C44 H70 B42 -","2","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.049","0.0431","","","0.118","0.1234","","","","","","1.041","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571439","11.6463","0.0003","6.9742","0.0002","26.5047","0.0008","90","","95.4","0.001","90","","2143.25","0.1","150","2","150","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","4","","- C22 H23 B11 -","- C22 H23 B11 -","- C88 H92 B44 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.072","0.0541","","","0.1269","0.148","","","","","","1.07","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571440","16.7926","0.0007","11.1704","0.0004","14.4378","0.0006","90","","101.45","0.002","90","","2654.34","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","BrBPhoCb2","","- C16 H30 B21 Br -","- C16 H30 B21 Br -","- C64 H120 B84 Br4 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0417","0.0379","","","0.099","0.1013","","","","","","1.081","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571441","10.959","0.0006","15.3894","0.0007","20.917","0.0012","90","","94.611","0.002","90","","3516.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","BrB2NpoCb2","","- C25 H36 B21 Br Cl2 -","- C25 H36 B21 Br Cl2 -","- C100 H144 B84 Br4 Cl8 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0634","0.0532","","","0.1512","0.1636","","","","","","1.069","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571442","21.0576","0.0008","12.2737","0.0005","23.5735","0.001","90","","90","","90","","6092.7","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2","","- C24 H33 B21 -","- C24 H33 B21 -","- C192 H264 B168 -","8","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0649","0.0619","","","0.1513","0.1532","","","","","","1.088","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571443","11.4807","0.0005","9.3411","0.0005","18.5768","0.0009","90","","96.484","0.002","90","","1979.48","0.17","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3","","- C18 H21 B11 -","- C18 H21 B11 -","- C72 H84 B44 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0548","0.0501","","","0.1269","0.1329","","","","","","1.074","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571444","10.8811","0.0012","10.8811","0.0012","31.653","0.005","90","","90","","120","","3245.6","0.7","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C2.57 H3.86 Cu0.14 N0.86 O0.86 -","- C2.57143 H3.28571 Cu0.142857 N0.857143 O0.571429 -","- C108 H138 Cu6 N36 O24 -","42","7","","Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish","Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids.","Chemical science","2024","15","19","7121","7129","10.1039/d4sc00477a","","","0.71073","MoKα","","0.0601","0.0576","","","0.1435","0.1447","","","","","","1.123","","","","has coordinates","292888","2024-07-05","14:57:09",""
"1571445","10.9067","0.0008","10.9067","0.0008","31.97","0.004","90","","90","","120","","3293.5","0.5","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C2.571 H4.146 Cu0.143 N0.857 O -","- C2.57143 H3.28571 Cu0.142857 N0.857143 O0.571429 -","- C108 H138 Cu6 N36 O24 -","42","7","","Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish","Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids.","Chemical science","2024","15","19","7121","7129","10.1039/d4sc00477a","","","0.71073","MoKα","","0.0717","0.0677","","","0.1608","0.1631","","","","","","1.032","","","","has coordinates","292888","2024-07-05","14:57:09",""
"1571446","10.6889","0.0007","14.1596","0.0009","15.3942","0.0009","82.996","0.005","87.336","0.005","68.73","0.006","2155","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ni3(H3sal-dahp)?DMF","C42H50N6Ni3O12","","- C42 H50 N6 Ni3 O12 -","- C42 H48 N6 Ni3 O12 -","- C84 H96 N12 Ni6 O24 -","2","1","","Li, Li; Zhao, Hui-Feng; Gan, Mei-Xing; Zhang, Tao; Li, Jia-Ning; Tao, Shi; Peng, Jing; Yu, Hai-Bin; Peng, Xu","Amorphous conversion in pyrolytic symmetric trinuclear nickel clusters trigger trifunctional electrocatalysts.","Chemical science","2024","15","20","7689","7697","10.1039/d4sc01696c","","x-ray","1.54184","CuKα","","0.0759","0.0683","","","0.1949","0.2012","","","","","","1.076","","","","has coordinates","292906","2024-07-05","15:02:05",""
"1571447","8.6747","0.0005","6.9706","0.0005","12.3186","0.0006","90","","107.234","0.006","90","","711.44","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","'2,4-dibromo-6-(3,3-dimethyl-3H-indol-2-yl)phenol'","","- C16 H13 Br2 N O -","- C16 H13 Br2 N O -","- C32 H26 Br4 N2 O2 -","2","0.5","","Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien","Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.","Chemical science","2024","15","19","7206","7218","10.1039/d4sc01937g","","x-ray","0.71073","MoKα","","0.0331","0.0199","","","0.0326","0.0347","","","","","","1.0353","","","","has coordinates","292889","2024-07-05","14:57:55",""
"1571448","8.50238","0.00018","10.0282","0.0002","12.6916","0.0003","70.6975","0.0019","89.7069","0.0017","85.8279","0.0017","1018.39","0.04","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","'2,4-dibromo-6-(3,3-dimethyl-3H-indol-2-yl)phenol'","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C52 H42 N6 O2 -","2","1","","Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien","Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.","Chemical science","2024","15","19","7206","7218","10.1039/d4sc01937g","","x-ray","0.71073","MoKα","","0.02","0.0153","","","0.0325","0.0336","","","","","","1.0715","","","","has coordinates","292889","2024-07-05","14:57:56",""
"1571449","8.3326","0.0002","12.8054","0.0003","32.7329","0.0008","90","","90","","90","","3492.67","0.14","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.81032","Synchrotron","","0.0505","0.05","","","0.1231","0.1234","","","","","","1.121","","","","has coordinates","292908","2024-07-05","15:03:15",""
"1571450","19.513","0.008","3.9317","0.0017","18.474","0.007","90","","96.947","0.015","90","","1406.9","1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 Ni O6 -","- C36 H30 N4 Ni O6 -","- C72 H60 N8 Ni2 O12 -","2","0.5","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.71073","MoKα","","0.1183","0.0834","","","0.1605","0.1758","","","","","","1.15","","","","has coordinates","292908","2024-07-05","15:03:16",""
"1571451","8.9821","0.0001","31.6135","0.0003","12.7862","0.0002","90","","90.976","0.001","90","","3630.19","0.08","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Br4 N4 Ni O6 -","- C36 H30 Br4 N4 Ni O6 -","- C144 H120 Br16 N16 Ni4 O24 -","4","1","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","1.54184","CuKα","","0.0368","0.0362","","","0.0941","0.0946","","","","","","1.075","","","","has coordinates,has disorder","292908","2024-07-05","15:03:16",""
"1571452","13.0251","0.0004","13.0786","0.0004","22.9482","0.0009","95.536","0.002","105.627","0.002","95.81","0.003","3714","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.67 H68.67 N4 Ni O6.67 -","- C54.6667 H68.6667 N4 Ni O6.66667 -","- C164 H206 N12 Ni3 O20 -","3","1.5","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.81082","Synchrotron","","0.1214","0.0875","","","0.2344","0.2634","","","","","","1.034","","","","has coordinates,has disorder","292908","2024-07-05","15:03:16",""
"1571453","15.7599","0.0016","17.6063","0.0016","15.3755","0.0014","90","","90","","90","","4266.3","0.7","100","","100","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C48 H32 Cl2 F2 N4 O4 U2 -","- C48 H32 Cl2 F2 N4 O4 U2 -","- C192 H128 Cl8 F8 N16 O16 U8 -","4","0.5","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","","0.7288","synchrotron","","0.0394","0.0279","","","0.0584","0.0625","","","","","","1.032","","","","has coordinates","292916","2024-07-05","15:06:17",""
"1571454","12.2797","0.0002","12.7824","0.0002","24.6681","0.0003","90","","90","","90","","3872","0.1","99.99","0.13","99.99","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Cl2 N4 O2 U -","- C48 H32 Cl2 N4 O2 U -","- C192 H128 Cl8 N16 O8 U4 -","4","1","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","x-ray","0.71073","MoKα","","0.0316","0.0246","","","0.043","0.0443","","","","","","1.021","","","","has coordinates","292916","2024-07-05","15:06:17",""
"1571455","9.0602","0.0001","18.1719","0.0002","15.7262","0.0002","90","","97.135","0.001","90","","2569.13","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl2 N2 O3 U -","- C28 H24 Cl2 N2 O3 U -","- C112 H96 Cl8 N8 O12 U4 -","4","1","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","x-ray","0.71073","MoKα","","0.0202","0.0167","","","0.0363","0.0371","","","","","","1.033","","","","has coordinates","292916","2024-07-05","15:06:17",""
"1571456","14.4589","0.0002","26.3459","0.0004","14.4152","0.0002","90","","89.399","0.001","90","","5490.92","0.14","99.98","0.12","99.98","0.12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 Cl6 N4 O4 U2 -","- C60 H42 Cl6 N4 O4 U2 -","- C240 H168 Cl24 N16 O16 U8 -","4","0.5","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","x-ray","0.71073","MoKα","","0.0426","0.0261","","","0.0547","0.0623","","","","","","1.063","","","","has coordinates,has disorder","292916","2024-07-05","15:06:17",""
"1571457","11.1956","0.0005","16.7938","0.0007","21.6192","0.001","90","","94.677","0.002","90","","4051.2","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H62 N7 P -","- C35 H62 N7 P -","- C140 H248 N28 P4 -","4","1","","Wen, Lang-Qi; Chen, Wei; Ren, Wei-Min; Lu, Xiao-Bing; Zhou, Hui","N,N′-Bis(imidazolyl)guanidinylphosphines: powerful initiators for conjugate-addition polymerization of Michael-type monomers","Polymer Chemistry","2024","15","18","1877","1883","10.1039/D3PY01231J","","","0.71073","MoKα","","0.1179","0.0661","","","0.1802","0.2055","","","","","","1.037","","","","has coordinates,has disorder","293295","2024-07-05","18:10:42",""
"1571458","11.3245","0.0015","18.881","0.003","17.927","0.002","90","","98.208","0.004","90","","3793.8","0.9","272","","272","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N7 P S2 -","- C36 H50 N7 P S2 -","- C144 H200 N28 P4 S8 -","4","1","","Wen, Lang-Qi; Chen, Wei; Ren, Wei-Min; Lu, Xiao-Bing; Zhou, Hui","N,N′-Bis(imidazolyl)guanidinylphosphines: powerful initiators for conjugate-addition polymerization of Michael-type monomers","Polymer Chemistry","2024","15","18","1877","1883","10.1039/D3PY01231J","","","0.71073","MoKα","","0.1229","0.0671","","","0.1509","0.172","","","","","","1.098","","","","has coordinates","293295","2024-07-05","18:10:51",""
"1571459","7.0744","0.0001","13.6038","0.0003","20.6602","0.0004","98.903","0.001","96.002","0.001","101.59","0.001","1905.31","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H18 Ni4 O19 -","- C36 H18 Ni4 O19 -","- C72 H36 Ni8 O38 -","2","1","","Sikdar, Nivedita; Laha, Subhajit; Jena, Rohan; Dey, Anupam; Rahimi, Faruk Ahamed; Maji, Tapas Kumar","An adsorbate biased dynamic 3D porous framework for inverse CO<sub>2</sub> sieving over C<sub>2</sub>H<sub>2</sub>.","Chemical science","2024","15","20","7698","7706","10.1039/d3sc06611h","","","0.71073","MoKα","","0.0709","0.041","","","0.1087","0.1236","","","","","","1.06","","","","has coordinates","292904","2024-07-05","15:01:38",""
"1571460","15.6496","0.0008","15.6496","0.0008","18.1435","0.0013","90","","90","","90","","4443.5","0.5","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H68 N2 S4 Zn -","- C44 H68 N2 S4 Zn -","- C176 H272 N8 S16 Zn4 -","4","0.5","","Seo, W. T. Michael; Riffel, Madeline N.; Oliver, Allen G.; Tsui, Emily Y.","Metal-cation-induced shifts in thiolate redox and reduced sulfur speciation.","Chemical science","2024","15","19","7332","7341","10.1039/d4sc01025f","","","0.71073","MoKα","","0.0513","0.0445","","","0.097","0.1018","","","","","","1.076","","","","has coordinates,has disorder","292884","2024-07-05","14:15:56",""
"1571472","12.28419","0.00014","13.47791","0.00017","13.8303","0.00017","90","","90","","90","","2289.82","0.05","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N O4 -","- C28 H21 N O4 -","- C112 H84 N4 O16 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.04","0.0371","","","0.0992","0.1032","","","","","","1.025","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571473","15.4716","0.0008","10.1507","0.0008","27.2357","0.0019","90","","90","","90","","4277.3","0.5","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C54 H38 N2 O10 -","- C54 H38 N2 O10 -","- C216 H152 N8 O40 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0792","0.0706","","","0.1815","0.1946","","","","","","1.04","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571474","15.316","0.0005","9.2552","0.0002","16.7635","0.0005","90","","112.958","0.004","90","","2188.05","0.13","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl N O4 -","- C27 H18 Cl N O4 -","- C108 H72 Cl4 N4 O16 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0671","0.0473","","","0.1342","0.1692","","","","","","1.132","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571475","8.7947","0.0002","9.7683","0.0002","13.675","0.0003","78.591","0.002","74.221","0.002","66.162","0.002","1028.93","0.04","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O4 -","- C27 H19 N O4 -","- C54 H38 N2 O8 -","2","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0469","0.0435","","","0.1221","0.126","","","","","","1.039","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571476","10.9082","0.0006","13.462","0.0007","28.21","0.0013","90","","90","","90","","4142.5","0.4","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.097","0.0661","","","0.231","0.2934","","","","","","1.132","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571477","9.1876","0.0001","11.1452","0.0001","20.9565","0.0002","90","","90","","90","","2145.9","0.04","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C108 H80 N8 O12 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0419","0.0404","","","0.1123","0.1142","","","","","","1.069","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571478","10.93381","0.00014","15.53317","0.00018","11.17806","0.00014","90","","92.8746","0.0012","90","","1896.06","0.04","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 O3 -","- C27 H16 O3 -","- C108 H64 O12 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0378","0.0347","","","0.0957","0.0992","","","","","","1.043","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571479","6.021","0.002","26.469","0.01","26.963","0.01","90","","90","","90","","4297","3","170","2","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Cl Si -","- C24 H29 Cl Si -","- C192 H232 Cl8 Si8 -","8","1","","Song, Yulong; Fu, Chunling; Zheng, Jian; Ma, Shengming","Copper-catalyzed remote double functionalization of allenynes.","Chemical science","2024","15","20","7789","7794","10.1039/d4sc00034j","","","0.71073","MoKα","","0.0628","0.0408","","","0.0897","0.1023","","","","","","1.03","","","","has coordinates","292903","2024-07-05","15:01:31",""
"1571480","17.1404","0.0017","28.846","0.003","11.2819","0.001","90","","99.946","0.003","90","","5494.3","0.9","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 B N O5 -","- C29 H36 B N O5 -","- C232 H288 B8 N8 O40 -","8","2","","Song, Yulong; Fu, Chunling; Zheng, Jian; Ma, Shengming","Copper-catalyzed remote double functionalization of allenynes.","Chemical science","2024","15","20","7789","7794","10.1039/d4sc00034j","","","0.71073","MoKα","","0.1079","0.0809","","","0.2435","0.2754","","","","","","1.027","","","","has coordinates,has disorder","292903","2024-07-05","15:01:31",""
"1571481","6.3985","0.0003","11.144","0.0006","24.0417","0.001","90","","90","","90","","1714.29","0.14","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C88 H64 N8 O12 -","4","1","","Conboy, Aífe; Goodfellow, Alister S.; Kasten, Kevin; Dunne, Joanne; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","De-epimerizing DyKAT of β-lactones generated by isothiourea-catalysed enantioselective [2 + 2] cycloaddition.","Chemical science","2024","15","23","8896","8904","10.1039/d4sc01410c","","x-ray","1.54184","CuKα","","0.0748","0.0539","","","0.1349","0.1545","","","","","","1.05","","","","has coordinates","292924","2024-07-05","15:07:48",""
"1571482","8.043","0.002","10.783","0.003","28.473","0.008","90","","90","","90","","2469.4","1.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl4 N3 O4 -","- C23 H23 Cl4 N3 O4 -","- C92 H92 Cl16 N12 O16 -","4","1","","Conboy, Aífe; Goodfellow, Alister S.; Kasten, Kevin; Dunne, Joanne; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","De-epimerizing DyKAT of β-lactones generated by isothiourea-catalysed enantioselective [2 + 2] cycloaddition.","Chemical science","2024","15","23","8896","8904","10.1039/d4sc01410c","","x-ray","0.71073","MoKα","","0.0533","0.0462","","","0.1321","0.139","","","","","","1.031","","","","has coordinates","292924","2024-07-05","15:07:48",""
"1571483","11.2574","0.0002","12.8335","0.0003","19.7938","0.0004","90","","90","","90","","2859.65","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 B S2 Si2 -","- C29 H35 B S2 Si2 -","- C116 H140 B4 S8 Si8 -","4","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","x-ray","0.71073","MoKα","","0.034","0.0294","","","0.0646","0.066","","","","","","1.055","","","","has coordinates","292937","2024-07-05","15:10:54",""
"1571484","9.0896","0.0004","11.2795","0.0006","15.8838","0.001","79.288","0.005","79.038","0.005","79.944","0.004","1554.47","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H43 B O2 S2 -","- C35 H43 B O2 S2 -","- C70 H86 B2 O4 S4 -","2","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","x-ray","0.71073","MoKα","","0.0745","0.0464","","","0.0986","0.1076","","","","","","1.026","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571485","12.643","0.0014","13.5587","0.0015","15.527","0.0017","79.838","0.001","69.254","0.001","69.144","0.001","2322.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H11.5 B F11 S2 -","- C24.5 H11.5 B F11 S2 -","- C98 H46 B4 F44 S8 -","4","2","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","","0.71073","MoKa","","0.0597","0.0442","","","0.1027","0.1114","","","","","","1.059","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571486","16.9975","0.0018","15.1142","0.0016","8.3759","0.0009","90","","101.075","0.001","90","","2111.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 B F11 S2 -","- C23 H8 B F11 S2 -","- C92 H32 B4 F44 S8 -","4","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","","0.71073","MoKa","","0.0404","0.0339","","","0.0722","0.0758","","","","","","0.974","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571487","17.971","0.006","25.993","0.008","15.818","0.005","90","","110.657","0.005","90","","6914","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","aOHex_blue","","","- C38 H50 B O2 S2 -","- C38 H50 B O2 S2 -","- C304 H400 B8 O16 S16 -","8","2","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","","0.71073","MoKa","","0.18","0.0704","","","0.1327","0.1703","","","","","","0.986","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571488","8.297","0.0003","11.4089","0.0005","29.4395","0.0011","90","","90","","90","","2786.73","0.19","170.01","0.1","170.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Li, Hao-Ran; Ran, Yi-An; Zhu, Yu-Yi; Guo, Weisi; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Electrochemical stereoselective synthesis of polysubstituted 1,4-dicarbonyl <i>Z</i>-alkenes <i>via</i> three-component coupling of sulfoxonium ylides and alkynes with water.","Chemical science","2024","15","21","8156","8162","10.1039/d4sc01141d","","x-ray","0.71073","MoKα","","0.0509","0.041","","","0.1103","0.1158","","","","","","1.056","","","","has coordinates","292928","2024-07-05","15:08:32",""
"1571489","10.7659","0.0004","14.5214","0.0005","11.4358","0.0005","90","","110.658","0.005","90","","1672.87","0.12","297.27","0.1","297.27","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Li, Hao-Ran; Ran, Yi-An; Zhu, Yu-Yi; Guo, Weisi; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Electrochemical stereoselective synthesis of polysubstituted 1,4-dicarbonyl <i>Z</i>-alkenes <i>via</i> three-component coupling of sulfoxonium ylides and alkynes with water.","Chemical science","2024","15","21","8156","8162","10.1039/d4sc01141d","","x-ray","0.71073","MoKα","","0.0644","0.0537","","","0.1632","0.1706","","","","","","1.09","","","","has coordinates","292928","2024-07-05","15:08:32",""
"1571490","7.7777","0.0003","8.0764","0.0003","25.7905","0.0009","90","","90","","90","","1620.05","0.1","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","","Ding, Bo; Xue, Qilin; Wei, Han; Chen, Jiangwei; Liu, Ze-Shui; Cheng, Hong-Gang; Cong, Hengjiang; Tang, Jianting; Zhou, Qianghui","Enantioconvergent synthesis of chiral fluorenols from racemic secondary alcohols <i>via</i> Pd(ii)/chiral norbornene cooperative catalysis.","Chemical science","2024","15","21","7975","7981","10.1039/d4sc01004c","","","1.54178","CuKα","","0.0352","0.035","","","0.0874","0.0881","","","","","","1.051","","","","has coordinates","292935","2024-07-05","15:09:47",""
"1571491","12.2029","0.0001","12.207","0.0001","20.231","0.0002","106.041","0.001","106.066","0.001","90.658","0.001","2770.52","0.05","296.88","0.15","296.88","0.15","","","","","","","","3","P 1","P 1","1","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","8","","Ding, Bo; Xue, Qilin; Wei, Han; Chen, Jiangwei; Liu, Ze-Shui; Cheng, Hong-Gang; Cong, Hengjiang; Tang, Jianting; Zhou, Qianghui","Enantioconvergent synthesis of chiral fluorenols from racemic secondary alcohols <i>via</i> Pd(ii)/chiral norbornene cooperative catalysis.","Chemical science","2024","15","21","7975","7981","10.1039/d4sc01004c","","x-ray","1.54184","CuKα","","0.0329","0.0324","","","0.0885","0.089","","","","","","1.031","","","","has coordinates","292935","2024-07-05","15:09:48",""
"1571492","18.684","0.004","6.0072","0.0013","19.711","0.004","90","","102.008","0.004","90","","2163.9","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N3 O -","- C29 H19 N3 O -","- C116 H76 N12 O4 -","4","1","","Zhou, Huayi; Li, Tengyue; Xie, Mingliang; Zhou, Yannan; Sun, Qikun; Zhang, Shi-Tong; Zhang, Yujian; Yang, Wenjun; Xue, Shanfeng","Improving electron transportation and operational lifetime of full color organic light emitting diodes through a ""weak hydrogen bonding cage"" structure.","Chemical science","2024","15","21","8106","8111","10.1039/d4sc00496e","","","0.71073","MoKα","","0.1317","0.0583","","","0.1409","0.1687","","","","","","0.783","","","","has coordinates","292934","2024-07-05","15:09:39",""
"1571503","5.7502","0.0002","5.7502","0.0002","10.2521","0.0007","90","","90","","90","","338.98","0.03","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","","","- Ba3 Cl F14 K Zr2 -","- Ba3 Cl F14 K Zr2 -","- Ba3 Cl F14 K Zr2 -","1","0.125","","Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.","Chemical science","2024","15","22","8500","8505","10.1039/d4sc01259c","","","0.71073","MoKα","","0.0103","0.0102","","","0.0236","0.0236","","","","","","1.119","","","","has coordinates","292872","2024-07-05","14:09:36",""
"1571504","5.7439","0.0003","5.7439","0.0003","10.2541","0.0007","90","","90","","90","","338.31","0.03","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","KBa3Hf2F14Cl","","- Ba3 Cl F14 Hf2 K -","- Ba3 Cl F14 Hf2 K -","- Ba3 Cl F14 Hf2 K -","1","0.125","","Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.","Chemical science","2024","15","22","8500","8505","10.1039/d4sc01259c","","","0.71073","MoKα","","0.0139","0.0134","","","0.0292","0.0293","","","","","","1.091","","","","has coordinates","292872","2024-07-05","14:09:38",""
"1571505","7.3227","0.001","7.4727","0.0012","11.1037","0.0016","75.512","0.013","83.357","0.011","85.846","0.013","583.73","0.15","295.68","0.1","295.68","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H7 F7 N2 O Sb2 -","- C6 H7 F7 N2 O Sb2 -","- C12 H14 F14 N4 O2 Sb4 -","2","1","","Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang","[(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect.","Chemical science","2024","15","21","8071","8079","10.1039/d4sc01716a","","x-ray","0.71073","MoKα","","0.0434","0.0303","","","0.0536","0.062","","","","","","0.995","","","","has coordinates","292933","2024-07-05","15:09:33",""
"1571506","7.2222","0.0003","8.1293","0.0004","10.3779","0.0004","101.002","0.004","105.247","0.004","106.829","0.004","538.65","0.05","250","0.1","250","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 F13 N4 Sb4 -","- C10 H13 F13 N4 Sb4 -","- C10 H13 F13 N4 Sb4 -","1","1","","Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang","[(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect.","Chemical science","2024","15","21","8071","8079","10.1039/d4sc01716a","","x-ray","0.71073","MoKα","","0.0261","0.0244","","","0.0486","0.0504","","","","","","1.046","","","","has coordinates","292933","2024-07-05","15:09:33",""
"1571507","11.5951","0.0001","19.7465","0.0001","24.9374","0.0002","90","","96.33","0.001","90","","5674.92","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H90 B3 Mg N3 O6 -","- C55.5 H90 B3 Mg N3 O6 -","- C222 H360 B12 Mg4 N12 O24 -","4","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","","1.54184","CuKα","","0.043","0.0382","","","0.0991","0.1033","","","","","","1.031","","","","has coordinates,has disorder","292931","2024-07-05","15:09:13",""
"1571508","10.6784","0.0002","12.5289","0.0002","22.541","0.0003","98.706","0.001","91.35","0.001","99.801","0.001","2933.71","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H94 B3 Mg N3 O6 -","- C60 H94 B3 Mg N3 O6 -","- C120 H188 B6 Mg2 N6 O12 -","2","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","x-ray","1.54184","CuKα","","0.0473","0.0448","","","0.1207","0.1234","","","","","","1.046","","","","has coordinates","292931","2024-07-05","15:09:13",""
"1571509","11.6016","0.0004","11.9817","0.0004","21.7312","0.0006","93.165","0.003","90.606","0.002","114.468","0.003","2743.44","0.17","149.9","0.6","149.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C53 H89 B3 Mg N3 O6 -","- C53 H89 B3 Mg N3 O6 -","- C106 H178 B6 Mg2 N6 O12 -","2","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","x-ray","0.71073","MoKα","","0.0791","0.051","","","0.1142","0.1307","","","","","","1.019","","","","has coordinates,has disorder","292931","2024-07-05","15:09:13",""
"1571510","11.2516","0.0002","13.3172","0.0003","20.8818","0.0005","83.912","0.002","80.949","0.002","77.803","0.002","3011.61","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H94 B3 Ca N3 O6 -","- C59 H94 B3 Ca N3 O6 -","- C118 H188 B6 Ca2 N6 O12 -","2","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","x-ray","1.54184","CuKα","","0.0475","0.0402","","","0.1008","0.1075","","","","","","1.024","","","","has coordinates,has disorder","292931","2024-07-05","15:09:13",""
"1571511","9.4544","0.0005","10.9663","0.0007","21.7055","0.0013","90","","102.485","0.002","90","","2197.2","0.2","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20094z","","","- C26 H26 O5 Si -","- C26 H26 O5 Si -","- C104 H104 O20 Si4 -","4","1","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.0565","0.0422","","","0.107","0.1173","","","","","","1.022","","","","has coordinates","292929","2024-07-05","15:08:44",""
"1571512","9.514","0.002","12.361","0.003","13.998","0.004","76.32","0.012","77.845","0.008","79.645","0.009","1548.9","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","21152z","","","- C32.5 H32.5 Cl1.5 O9 Si -","- C32.5 H32.5 Cl1.5 O9 Si -","- C65 H65 Cl3 O18 Si2 -","2","1","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.1567","0.1068","","","0.2893","0.3364","","","","","","1.046","","","","has coordinates,has disorder","292929","2024-07-05","15:08:44",""
"1571513","12.5341","0.0006","19.6037","0.0012","13.2334","0.0006","90","","91.919","0.002","90","","3249.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","21159z","","","- C32 H42 N2 O9 Os Si -","- C32 H42 N2 O9 Os Si -","- C128 H168 N8 O36 Os4 Si4 -","4","1","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.0477","0.0289","","","0.0565","0.0626","","","","","","1.016","","","","has coordinates","292929","2024-07-05","15:08:44",""
"1571514","12.6362","0.0007","18.9096","0.0013","25.048","0.0017","71.929","0.002","86.176","0.002","73.612","0.002","5457.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","the cyclopropane","","","- C247 H276 O48 Si8 -","- C247 H276 O48 Si8 -","- C247 H276 O48 Si8 -","1","0.5","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.0742","0.0456","","","0.1033","0.1179","","","","","","1.019","","","","has coordinates,has disorder","292929","2024-07-05","15:08:44",""
"1571516","5.924","0.0003","18.3064","0.0013","18.6204","0.0012","106.425","0.006","98.852","0.005","92.567","0.005","1905.5","0.2","240","0.1","240","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H27 N3 O11 S4 Zn2 -","- C39 H27 N3 O11 S4 Zn2 -","- C78 H54 N6 O22 S8 Zn4 -","2","1","","Sun, Huili; Zhang, Qiangsheng; Meng, Liuli; Wang, Zhonghao; Fan, Yanan; Mayor, Marcel; Pan, Mei; Su, Cheng-Yong","Thermal control over phosphorescence or thermally activated delayed fluorescence in a metal-organic framework.","Chemical science","2024","15","23","8905","8912","10.1039/d4sc02030h","","x-ray","1.54184","CuKα","","0.0657","0.0536","","","0.1397","0.1488","","","","","","1.053","","","","has coordinates","292921","2024-07-05","15:07:26",""
"1571517","21.3855","0.0001","21.3855","0.0001","27.7201","0.0003","90","","90","","90","","12677.5","0.16","298","","298","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","SO2@Al-ettb","- C29 H14 Al3 O26.28 S5.14 -","- C29 H14 Al3 O26.28 S5.14 -","- C232 H112 Al24 O210.24 S41.12 -","8","0.25","","Yu, Liang; He, Meng; Yao, Jinze; Xia, Qibin; Yang, Sihai; Li, Jing; Wang, Hao","A robust aluminum-octacarboxylate framework with <b>scu</b> topology for selective capture of sulfur dioxide.","Chemical science","2024","15","22","8530","8535","10.1039/d4sc01877j","powder diffraction","","0.82439","synchrotron","","0.56943","","","","","","","","10.029","","","","","","","has coordinates","292866","2024-07-05","14:08:01",""
"1571518","21.5005","0.0006","21.5005","0.0006","28.4908","0.0011","90","","90","","90","","13170.5","0.7","150","","150","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C29 H26 Al3 O16 -","- C29 H26 Al3 O16 -","- C232 H208 Al24 O128 -","8","0.25","","Yu, Liang; He, Meng; Yao, Jinze; Xia, Qibin; Yang, Sihai; Li, Jing; Wang, Hao","A robust aluminum-octacarboxylate framework with <b>scu</b> topology for selective capture of sulfur dioxide.","Chemical science","2024","15","22","8530","8535","10.1039/d4sc01877j","","","1.34139","GaKα","","0.0857","0.079","","","0.236","0.2429","","","","","","1.107","","","","has coordinates,has disorder","292866","2024-07-05","14:08:02",""
"1571519","13.4572","0.0006","9.9639","0.0005","12.5603","0.0006","90","","102.524","0.002","90","","1644.09","0.14","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Sarah120723","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","2","","Scrivener, Sarah G.; Wang, Yi-Ming","A C-H functionalization approach to diverse nitrogenous scaffolds through conjugate addition of catalytic allyliron nucleophiles.","Chemical science","2024","15","23","8850","8857","10.1039/d4sc00655k","","","1.54184","CuKα","","0.0704","0.0695","","","0.1747","0.1759","","","","","","1.045","","","","has coordinates","292919","2024-07-05","15:06:43",""
"1571520","13.1278","0.0011","13.7431","0.0011","14.5832","0.0013","86.847","0.003","75.173","0.003","69.277","0.003","2377.1","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 F12 N8 O8 P2 Ru -","- C40 H38 F12 N8 O8 P2 Ru -","- C80 H76 F24 N16 O16 P4 Ru2 -","2","1","","Han, Wang-Kang; Li, Jiayu; Zhu, Ruo-Meng; Wei, Min; Xia, Shu-Kun; Fu, Jia-Xing; Zhang, Jinfang; Pang, Huan; Li, Ming-De; Gu, Zhi-Guo","Photosensitizing metal covalent organic framework with fast charge transfer dynamics for efficient CO<sub>2</sub> photoreduction.","Chemical science","2024","15","22","8422","8429","10.1039/d4sc01896f","","x-ray","0.71073","MoKα","","0.0871","0.0665","","","0.1814","0.1998","","","","","","1.024","","","","has coordinates,has disorder","292871","2024-07-05","14:09:20",""
"1571524","12.1612","0.0002","10.2907","0.0002","36.8655","0.0007","90","","96.834","0.002","90","","4580.84","0.15","149.98","0.14","149.98","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Br2 N2 O4 -","- C48 H34 Br2 N2 O4 -","- C192 H136 Br8 N8 O16 -","4","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0704","0.0628","","","0.1755","0.1824","","","","","","1.045","","","","has coordinates","292930","2024-07-05","15:08:58",""
"1571525","36.1548","0.0008","10.7003","0.0002","12.0413","0.0002","90","","97.414","0.002","90","","4619.44","0.16","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H42 Br2 N2 O7 -","- C51 H46 Br2 N2 O7 -","- C204 H184 Br8 N8 O28 -","4","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0548","0.0478","","","0.1336","0.1403","","","","","","1.129","","","","has coordinates,has disorder","292930","2024-07-05","15:08:59",""
"1571526","36.5216","0.0006","10.8114","0.0002","12.1409","0.0002","90","","97.5803","0.0016","90","","4751.94","0.14","297.74","0.18","297.74","0.18","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C48 H34 Br2 N2 O4 -","- C48 H34 Br2 N2 O4 -","- C192 H136 Br8 N8 O16 -","4","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0413","0.0336","","","0.0867","0.0916","","","","","","1.051","","","","has coordinates,has disorder","292930","2024-07-05","15:08:59",""
"1571527","10.42669","0.00014","12.40814","0.00015","18.05325","0.00018","79.3587","0.0009","81.0124","0.001","87.8419","0.001","2267.21","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C96 H70 Br4 N4 O10 -","- C96 H72 Br4 N4 O10 -","- C96 H72 Br4 N4 O10 -","1","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0559","0.0536","","","0.1481","0.1505","","","","","","1.045","","","","has coordinates","292930","2024-07-05","15:08:59",""
"1571528","7.7396","0.0004","26.8784","0.0014","12.574","0.0006","90","","105.563","0.003","90","","2519.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Br N2 O2 -","- C31 H27 Br N2 O2 -","- C124 H108 Br4 N8 O8 -","4","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.0944","0.0757","","","0.2273","0.2416","","","","","","1.096","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571529","16.6094","0.0006","9.5173","0.0003","27.5112","0.0009","90","","104.757","0.002","90","","4205.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 N3 O4 -","- C50 H49 N3 O4 -","- C200 H196 N12 O16 -","4","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.1167","0.0698","","","0.1741","0.2002","","","","","","1.055","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571530","23.9323","0.0004","11.4133","0.00017","13.3857","0.0002","90","","97.5023","0.0015","90","","3624.96","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JW 156","MMG 156","","- C44 H37 Cl2 N3 O3 -","- C44 H37 Cl2 N3 O3 -","- C176 H148 Cl8 N12 O12 -","4","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","x-ray","1.54184","CuKα","","0.0547","0.0423","","","0.1097","0.1179","","","","","","1.032","","","","has coordinates,has disorder","292867","2024-07-05","14:08:17",""
"1571531","11.2686","0.0003","12.7274","0.0003","13.7006","0.0003","113.329","0.001","94.216","0.001","104.544","0.001","1713.09","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N3 O4 -","- C42 H42 N3 O4 -","- C84 H84 N6 O8 -","2","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.1371","0.0679","","","0.1836","0.2253","","","","","","0.997","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571532","11.4231","0.0004","13.6228","0.0004","44.313","0.0018","90","","90","","90","","6895.8","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H36 N2 O2 -","- C45 H36 N2 O2 -","- C360 H288 N16 O16 -","8","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.2581","0.0731","","","0.141","0.2068","","","","","","0.975","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571533","15.256","0.012","8.189","0.006","22.995","0.017","90","","93.293","0.008","90","","2868","4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N O P -","- C38 H26 N O P -","- C152 H104 N4 O4 P4 -","4","1","","Zhong, Daokun; Liu, Siqi; Yue, Ling; Feng, Zhao; Wang, Hongyan; Yang, Peng; Su, Bochao; Yang, Xiaolong; Sun, Yuanhui; Zhou, Guijiang","Achieving pure room temperature phosphorescence (RTP) in phenoselenazine-based organic emitters through synergism among heavy atom effect, enhanced n → π* transitions and magnified electron coupling by the A-D-A molecular configuration.","Chemical science","2024","15","24","9112","9119","10.1039/d4sc01200c","","","","","","0.132","","","","","","","","","","","","","","","has coordinates","292849","2024-07-05","13:54:17",""
"1571534","9.0789","0.0005","11.2974","0.0008","12.713","0.0008","110.2","0.006","94.41","0.005","92.531","0.005","1216.63","0.14","110","0.14","110","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Mn2 N O11 -","- C24 H15 Mn2 N O11 -","- C48 H30 Mn4 N2 O22 -","2","1","","Eastwood, Jonathan B.; Burden, Thomas J.; Hammarback, L. Anders; Horbaczewskyj, Chris; Tanner, Theo F. N.; Clark, Ian P.; Greetham, Gregory; Towrie, Michael; Fairlamb, Ian J. S.; Lynam, Jason M.","The importance of understanding (pre)catalyst activation in versatile C-H bond functionalisations catalysed by [Mn<sub>2</sub>(CO)<sub>10</sub>].","Chemical science","2024","15","24","9183","9191","10.1039/d4sc01215a","","x-ray","0.71073","MoKα","","0.0456","0.0355","","","0.0734","0.0803","","","","","","1.062","","","","has coordinates","292853","2024-07-05","13:55:12",""
"1571535","17.3078","0.0018","17.5817","0.0018","18.5767","0.0019","79.878","0.004","73.879","0.004","87.864","0.004","5345.7","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C129 H104 B2 Cl N Os P4 -","- C129 H104 B2 Cl N Os P4 -","- C258 H208 B4 Cl2 N2 Os2 P8 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0404","0.0366","","","0.1086","0.1113","","","","","","1.088","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571536","22.014","0.003","21.683","0.003","12.1814","0.0015","90","","98.337","0.005","90","","5753.1","1.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 B Cl4 F4 N Os P3 -","- C65 H53 B Cl4 F4 N Os P3 -","- C260 H212 B4 Cl16 F16 N4 Os4 P12 -","4","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0434","0.0359","","","0.0846","0.0896","","","","","","1.049","","","","has coordinates,has disorder","292868","2024-07-05","14:08:45",""
"1571537","10.0004","0.0013","11.4627","0.0015","27.876","0.004","101.832","0.005","93.282","0.005","91.924","0.005","3119.1","0.7","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C71 H56 B Br Cl4 F4 N Os P3 S -","- C71 H56 B Br Cl4 F4 N Os P3 S -","- C142 H112 B2 Br2 Cl8 F8 N2 Os2 P6 S2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0367","0.0356","","","0.0935","0.0943","","","","","","1.047","","","","has coordinates,has disorder","292868","2024-07-05","14:08:45",""
"1571538","15.7974","0.0005","17.7933","0.0005","20.4463","0.0006","75.963","0.001","89.72","0.001","73.086","0.001","5321","0.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H108 B2 Cl11 N Os P4 -","- C119 H108 B2 Cl11 N Os P4 -","- C238 H216 B4 Cl22 N2 Os2 P8 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0516","0.0507","","","0.1336","0.1345","","","","","","1.046","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571539","9.9632","0.0009","11.5217","0.001","29.202","0.003","78.917","0.003","82.668","0.003","88.004","0.003","3262.6","0.5","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C73 H61 B Cl6 F4 N Os P3 S -","- C73 H61 B Cl6 F4 N Os P3 S -","- C146 H122 B2 Cl12 F8 N2 Os2 P6 S2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.34139","GaKα","","0.0516","0.0486","","","0.1176","0.1193","","","","","","1.044","","","","has coordinates,has disorder","292868","2024-07-05","14:08:45",""
"1571540","12.5847","0.0005","20.847","0.0008","21.1394","0.0008","90","","93.812","0.001","90","","5533.7","0.4","100","0.2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H50 Cl4 N Os P3 -","- C63 H50 Cl4 N Os P3 -","- C252 H200 Cl16 N4 Os4 P12 -","4","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","","1.54178","CuKα","","0.0324","0.0316","","","0.0823","0.083","","","","","","1.054","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571541","14.0545","0.0004","17.0441","0.0005","17.7828","0.0006","78.098","0.001","81.652","0.001","70.887","0.001","3924.5","0.2","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H76 B Cl7 N O Os P3 -","- C91 H76 B Cl7 N O Os P3 -","- C182 H152 B2 Cl14 N2 O2 Os2 P6 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54184","CuKα","","0.0359","0.0358","","","0.0958","0.0958","","","","","","1.07","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571542","17.3296","0.0004","17.6406","0.0004","18.5079","0.0004","79.837","0.001","73.958","0.001","87.976","0.001","5351.8","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C129 H104 B2 Cl N P4 Ru -","- C129 H104 B2 Cl N P4 Ru -","- C258 H208 B4 Cl2 N2 P8 Ru2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0423","0.0392","","","0.0971","0.099","","","","","","1.032","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571543","14.163","0.0007","14.2184","0.0007","15.9648","0.0008","98.109","0.002","106.294","0.002","101.236","0.002","2960.5","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H49 Cl2 F6 N Os P4 S -","- C63 H49 Cl2 F6 N Os P4 S -","- C126 H98 Cl4 F12 N2 Os2 P8 S2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0337","0.0311","","","0.0778","0.0792","","","","","","1.036","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571544","16.9627","0.0008","19.3429","0.0009","22.1477","0.001","110.864","0.002","94.765","0.002","114.869","0.002","5923.8","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C119 H100 B2 Cl N Os P4 -","- C119 H100 B2 Cl N Os P4 -","- C238 H200 B4 Cl2 N2 Os2 P8 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0584","0.0553","","","0.1635","0.1669","","","","","","1.026","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571545","12.4889","0.0008","4.885","0.0003","20.257","0.0012","90","","92.563","0.006","90","","1234.61","0.13","99.99","0.1","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N8 -","- C30 H24 N8 -","- C60 H48 N16 -","2","0.5","","Tipping, Max B.; Pruñonosa Lara, Lidón; Solea, Atena B.; von Krbek, Larissa K. S.; Ward, Michael D.","Photoswitching of Co(ii)-based coordination cages containing azobenzene backbones.","Chemical science","2024","15","22","8488","8499","10.1039/d4sc01575d","","","1.54184","CuKα","","0.1034","0.0736","","","0.1982","0.2539","","","","","","1.092","","","","has coordinates,has disorder","292869","2024-07-05","14:09:03",""
"1571546","20.35957","0.00013","21.05549","0.00013","23.94804","0.00013","93.3668","0.0005","93.7613","0.0005","94.7042","0.0006","10188.2","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C191.88 H203.94 B7.94 Co4 F32.28 N48.11 O17.88 -","- C181.881 H151.931 B7.548 Co4 F30.672 N48.107 O1.881 -","- C363.762 H303.862 B15.096 Co8 F61.344 N96.214 O3.762 -","2","1","","Tipping, Max B.; Pruñonosa Lara, Lidón; Solea, Atena B.; von Krbek, Larissa K. S.; Ward, Michael D.","Photoswitching of Co(ii)-based coordination cages containing azobenzene backbones.","Chemical science","2024","15","22","8488","8499","10.1039/d4sc01575d","","","0.6889","","","0.0762","0.0638","","","0.1905","0.1986","","","","","","1.073","","","","has coordinates,has disorder","292869","2024-07-05","14:09:03",""
"1571547","12.942","0.0002","31.1363","0.0006","14.2239","0.0002","90","","90.943","0.001","90","","5730.97","0.16","100","0.11","100","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N2 O4 S2 -","- C26 H44 N2 O4 S2 -","- C208 H352 N16 O32 S16 -","8","2","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.0854","0.0681","","","0.1527","0.1599","","","","","","1.081","","","","has coordinates","293296","2024-07-05","18:11:14",""
"1571548","13.9546","0.0004","20.1055","0.0006","11.0995","0.0003","90","","101.725","0.003","90","","3049.14","0.15","99.99","0.13","99.99","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N2 O4 S4 -","- C26 H44 N2 O4 S4 -","- C104 H176 N8 O16 S16 -","4","1","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.059","0.0497","","","0.1327","0.1382","","","","","","1.09","","","","has coordinates","293296","2024-07-05","18:11:15",""
"1571549","6.2869","0.0001","9.3906","0.0002","11.5393","0.0002","89.579","0.002","78.811","0.002","86.145","0.002","666.78","0.02","100.1","0.3","100.1","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N O2 -","- C13 H23 N O2 -","- C26 H46 N2 O4 -","2","1","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.0443","0.0413","","","0.1064","0.1084","","","","","","1.088","","","","has coordinates","293296","2024-07-05","18:11:15",""
"1571550","12.49888","0.00012","12.16712","0.00012","19.36765","0.00017","90","","91.5744","0.0008","90","","2944.23","0.05","99.99","0.13","99.99","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N2 O4 S3 -","- C26 H44 N2 O4 S3 -","- C104 H176 N8 O16 S12 -","4","1","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.0316","0.0299","","","0.0806","0.0818","","","","","","1.078","","","","has coordinates","293296","2024-07-05","18:11:15",""
"1571564","16.8","0.003","18.2","0.004","18.9","0.004","110","0.03","101","0.03","106","0.03","4953","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H56 Cl10 N2 O4 S2 -","- C86 H56 Cl10 N2 O4 S2 -","- C172 H112 Cl20 N4 O8 S4 -","2","1","","Jha, Shivangee; Mehra, Kundan Singh; Dey, Mandira; S, Sujesh; Ghosh, Debashree; Mondal, Pradip Kumar; Polentarutti, Maurizio; Sankar, Jeyaraman","A nine-ring fused terrylene diimide exhibits switching between red TADF and near-IR room temperature phosphorescence.","Chemical science","2024","15","23","8974","8981","10.1039/d4sc01040j","","","0.7","Synchrotron","","0.2818","0.1993","","","0.5119","0.5644","","","","","","1.514","","","","has coordinates,has disorder","292923","2024-07-05","15:07:40",""
"1571565","9.0844","0.0003","10.3859","0.0004","18.7463","0.0006","75.426","0.002","89.765","0.002","88.695","0.002","1711.35","0.1","302","","302","","","","","","","","","5","P 1","P 1","1","","","","- C41 H35 F N2 O5 -","- C41 H35 F N2 O5 -","- C82 H70 F2 N4 O10 -","2","2","","Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Organocatalytic diastereo- and atropo-selective construction of eight-membered bridged (hetero)biaryls <i>via</i> asymmetric intramolecular [3 + 2] cycloaddition.","Chemical science","2024","15","23","8880","8887","10.1039/d4sc01892c","","","1.54178","CuKα","","0.08","0.0635","","","0.151","0.1708","","","","","","1.094","","","","has coordinates,has disorder","292918","2024-07-05","15:06:35",""
"1571566","10.2162","0.0003","16.7001","0.0004","19.1032","0.0005","90","","105.024","0.001","90","","3147.82","0.15","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl3 N3 O3 -","- C36 H28 Cl3 N3 O3 -","- C144 H112 Cl12 N12 O12 -","4","2","","Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Organocatalytic diastereo- and atropo-selective construction of eight-membered bridged (hetero)biaryls <i>via</i> asymmetric intramolecular [3 + 2] cycloaddition.","Chemical science","2024","15","23","8880","8887","10.1039/d4sc01892c","","","0.71073","MoKα","","0.0399","0.0359","","","0.085","0.0876","","","","","","1.001","","","","has coordinates","292918","2024-07-05","15:06:35",""
"1571567","12.1911","0.0001","12.2435","0.0001","32.968","0.0002","93.146","0.001","92.499","0.001","98.637","0.001","4851.02","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 Fe O6 -","- C57 H60 Fe O6 -","- C228 H240 Fe4 O24 -","4","2","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","","0.6889","Synchrotron","","0.0712","0.0596","","","0.1673","0.1754","","","","","","1.105","","","","has coordinates","292898","2024-07-05","15:00:32",""
"1571568","10.9292","0.0002","15.7523","0.0003","12.3261","0.0003","90","","95.5","0.002","90","","2112.29","0.08","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","FEYLLS","","- C52 H50 Fe O4 -","- C52 H50 Fe O4 -","- C104 H100 Fe2 O8 -","2","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","K-L~2,3~","0.0648","0.0609","","","0.1664","0.1733","","","","","","1.067","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571569","12.1688","0.0003","16.2148","0.0005","21.5184","0.0005","90","","91.955","0.002","90","","4243.42","0.19","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Fe O4 -","- C52 H50 Fe O4 -","- C208 H200 Fe4 O16 -","4","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.091","0.0789","","","0.2116","0.2232","","","","","","1.124","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571570","11.4153","0.0005","20.3383","0.0009","18.6089","0.0008","90","","90.572","0.004","90","","4320.2","0.3","99.95","","99.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 Fe O4 -","- C54 H50 Fe O4 -","- C216 H200 Fe4 O16 -","4","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","0.6889","Synchrotron","","0.0916","0.0589","","","0.1403","0.1602","","","","","","1.015","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571571","17.8946","0.0001","20.0899","0.0001","23.5547","0.0001","90","","90","","90","","8467.93","0.07","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C55 H53 O2 -","- C55 H53 O2 -","- C440 H424 O16 -","8","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0495","0.0475","","","0.1217","0.1232","","","","","","1.041","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571572","12.3798","0.0004","12.6107","0.0004","14.6241","0.0005","86.062","0.003","76.881","0.003","79.062","0.003","2182.32","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Fe O5 -","- C53 H50 Fe O5 -","- C106 H100 Fe2 O10 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0379","0.0345","","","0.087","0.0892","","","","","","1.068","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571573","11.0369","0.0005","13.8006","0.0005","18.0187","0.0008","73.812","0.003","89.056","0.004","72.173","0.004","2502","0.2","119.99","0.11","119.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C60 H71 Fe O3 -","- C51 H50 Fe O3 -","- C102 H100 Fe2 O6 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0601","0.0506","","","0.1323","0.1393","","","","","","1.062","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571574","10.4522","0.0004","11.8004","0.0004","16.7576","0.0007","86.655","0.003","89.55","0.003","76.007","0.003","2002.09","0.13","119.99","0.1","119.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H50 Fe O2 -","- C52 H50 Fe O2 -","- C104 H100 Fe2 O4 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.1204","0.0941","","","0.2529","0.2726","","","","","","1.02","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571575","12.6674","0.0003","13.2102","0.0003","14.2164","0.0003","67.027","0.002","83.24","0.002","84.686","0.002","2172.22","0.09","120","2","120.15","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H112 Fe2 O8 -","- C106 H112 Fe2 O8 -","- C106 H112 Fe2 O8 -","1","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0327","0.0317","","","0.0891","0.0899","","","","","","1.088","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571576","19.6224","0.0001","20.014","0.0001","22.4185","0.0001","90","","114.596","0.001","90","","8005.4","0.09","100","","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C416 H400 O16 -","8","2","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","","0.6889","Synchrotron","","0.079","0.0626","","","0.1864","0.1948","","","","","","1.094","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571577","17.8916","0.0006","16.8787","0.0006","13.6585","0.0005","90","","90","","90","","4124.7","0.3","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C208 H200 O8 -","4","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0556","0.0487","","","0.1285","0.1348","","","","","","1.034","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571578","13.2353","0.0003","13.8441","0.0005","36.1863","0.0007","79.731","0.002","83.226","0.002","72.453","0.003","6206.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C156.5 H160.5 Fe3 O10 -","- C152 H150 Fe3 O10 -","- C304 H300 Fe6 O20 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.1464","0.1085","","","0.2951","0.3229","","","","","","1.038","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571579","12.9566","0.0002","13.7268","0.0003","17.6044","0.0004","81.108","0.002","70.509","0.002","70.199","0.002","2774","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H156 Fe2 O12.25 -","- C124 H156 Fe2 O12.246 -","- C124 H156 Fe2 O12.246 -","1","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0539","0.0481","","","0.1318","0.1356","","","","","","1.072","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571580","12.1282","0.0003","14.9679","0.0003","20.5823","0.0005","102.728","0.002","99.634","0.002","107.973","0.002","3353.35","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H90 Fe O4 -","- C77 H76 Fe O4 -","- C154 H152 Fe2 O8 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0408","0.0395","","","0.1082","0.1095","","","","","","1.038","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571581","12.4176","0.0002","13.298","0.0002","14.4695","0.0002","65.894","0.002","83.35","0.002","84.359","0.002","2162.86","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H114 Fe2 O8 -","- C100 H100 Fe2 O8 -","- C100 H100 Fe2 O8 -","1","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.052","0.0449","","","0.1281","0.1335","","","","","","1.086","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571582","6.243","0.002","8.03","0.003","19.073","0.007","90","","94.875","0.01","90","","952.7","0.6","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 S -","- C20 H24 O3 S -","- C40 H48 O6 S2 -","2","1","","Zhao, Lingzi; Liu, Feipeng; Zhuang, Yan; Shen, Mengyang; Xue, Jing; Wang, Xuchao; Zhang, Yuting; Rong, Zi-Qiang","CoH-catalyzed asymmetric remote hydroalkylation of heterocyclic alkenes: a rapid approach to chiral five-membered S- and O-heterocycles.","Chemical science","2024","15","23","8888","8895","10.1039/d4sc01149j","","x-ray","0.71073","MoKα","","0.104","0.0922","","","0.242","0.2547","","","","","","1.121","","","","has coordinates","292922","2024-07-05","15:07:32",""
"1571583","16.291","0.002","6.2878","0.0006","15.4937","0.0018","90","","116.475","0.015","90","","1420.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br F3 O -","- C16 H10 Br F3 O -","- C64 H40 Br4 F12 O4 -","4","1","","Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong","Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.","Chemical science","2024","15","23","8828","8834","10.1039/d4sc00748d","","x-ray","1.54184","CuKα","","0.0775","0.056","","","0.1486","0.1743","","","","","","0.968","","","","has coordinates,has disorder","292927","2024-07-05","15:08:24",""
"1571584","9.1987","0.0006","11.0072","0.0006","12.2093","0.0006","90.074","0.004","92.871","0.004","96.049","0.005","1227.76","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 F3 O -","- C28 H31 F3 O -","- C56 H62 F6 O2 -","2","1","","Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong","Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.","Chemical science","2024","15","23","8828","8834","10.1039/d4sc00748d","","x-ray","1.54184","CuKα","","0.0858","0.0731","","","0.2102","0.228","","","","","","1.036","","","","has coordinates","292927","2024-07-05","15:08:24",""
"1571585","6.9554","0.0004","13.0085","0.0007","17.4007","0.0013","75.775","0.006","80.036","0.006","89.708","0.005","1501.96","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 F3 O -","- C18 H15 F3 O -","- C72 H60 F12 O4 -","4","2","","Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong","Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.","Chemical science","2024","15","23","8828","8834","10.1039/d4sc00748d","","x-ray","1.54184","CuKα","","0.0797","0.0513","","","0.119","0.1277","","","","","","1.003","","","","has coordinates","292927","2024-07-05","15:08:24",""
"1571589","23.0809","0.0005","25.7505","0.0006","28.4251","0.0007","91.029","0.001","94.284","0.001","92.462","0.001","16827.8","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C320 H290 Ag19 Au47 -","- C320 H290 Ag19 Au47 -","- C640 H580 Ag38 Au94 -","2","1","","Tang, Shisi; Wang, Endong; Wu, Yanzhen; Song, Tongxin; Zhou, Meng; Cai, Xiao; Gao, Yi; Ding, Weiping; Zhu, Yan","Diachronic evolvement from tetra-icosahedral to quasi-hexagonal close-packed bimetal clusters.","Chemical science","2024","15","22","8372","8379","10.1039/d4sc00942h","","x-ray","0.71073","MoKα","","0.1234","0.0669","","","0.1927","0.2251","","","","","","1.071","","","","has coordinates,has disorder","292864","2024-07-05","14:07:09",""
"1571590","21.3484","0.0014","29.2299","0.0019","40.094","0.003","79.787","0.001","75.632","0.001","89.066","0.001","23842","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C470 H423 Ag24 Au60 -","- C470 H423 Ag24 Au60 -","- C940 H846 Ag48 Au120 -","2","1","","Tang, Shisi; Wang, Endong; Wu, Yanzhen; Song, Tongxin; Zhou, Meng; Cai, Xiao; Gao, Yi; Ding, Weiping; Zhu, Yan","Diachronic evolvement from tetra-icosahedral to quasi-hexagonal close-packed bimetal clusters.","Chemical science","2024","15","22","8372","8379","10.1039/d4sc00942h","","","0.71073","MoKα","","0.1451","0.0809","","","0.201","0.265","","","","","","1.19","","","","has coordinates","292864","2024-07-05","14:07:10",""
"1571592","10.584","0.003","13.174","0.004","17.291","0.005","84.579","0.011","73.169","0.01","77.6","0.01","2252.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H48 Cl2 N2 O8 Pt -","- C49 H48 Cl2 N2 O8 Pt -","- C98 H96 Cl4 N4 O16 Pt2 -","2","1","","Zhang, Huilan; Chan, Michael Ho-Yeung; Lam, Jonathan; Chen, Ziyong; Leung, Ming-Yi; Wong, Eric Ka-Ho; Wu, Lixin; Yam, Vivian Wing-Wah","Supramolecular assembly of amphiphilic platinum(ii) Schiff base complexes: diverse spectroscopic changes and nanostructures through rational molecular design and solvent control.","Chemical science","2024","15","22","8545","8556","10.1039/d3sc06094b","","","0.71073","MoKα","","0.0391","0.0277","","","0.0604","0.0672","","","","","","1.048","","","","has coordinates,has disorder","292870","2024-07-05","14:09:11",""
"1571593","17.6473","0.0009","7.5383","0.0004","18.6063","0.0009","89.999","0.002","94.196","0.002","90.014","0.002","2468.6","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H49 N49 O49 -","- C136 H108 N4 O8 -","- C136 H108 N4 O8 -","1","0.5","","Khatun, Mst Nasima; Nandy, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar Krishnan","Sulphur-atom positional engineering in perylenimide: structure-property relationships and H-aggregation directed type-I photodynamic therapy.","Chemical science","2024","15","24","9298","9317","10.1039/d4sc01180e","","","0.71073","MoKα","","0.1893","0.0774","","","0.1928","0.2532","","","","","","1.02","","","","has coordinates","292860","2024-07-05","13:57:40",""
"1571594","7.3852","0.0005","11.7473","0.0008","16.5975","0.0011","83.044","0.002","84.88","0.002","77.501","0.002","1392.51","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 N O2 S2 -","- C36 H26 N O2 S2 -","- C72 H52 N2 O4 S4 -","2","1","","Khatun, Mst Nasima; Nandy, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar Krishnan","Sulphur-atom positional engineering in perylenimide: structure-property relationships and H-aggregation directed type-I photodynamic therapy.","Chemical science","2024","15","24","9298","9317","10.1039/d4sc01180e","","","0.71073","MoKα","","0.3126","0.1849","","","0.4237","0.5209","","","","","","1.509","","","","has coordinates","292860","2024-07-05","13:57:44",""
"1571595","8.766","0.006","11.916","0.008","15.464","0.011","101.43","0.02","92.94","0.02","111.2","0.02","1462.7","1.8","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H29 N O2 S2 -","- C40 N O2 S2 -","- C80 N2 O4 S4 -","2","2","","Khatun, Mst Nasima; Nandy, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar Krishnan","Sulphur-atom positional engineering in perylenimide: structure-property relationships and H-aggregation directed type-I photodynamic therapy.","Chemical science","2024","15","24","9298","9317","10.1039/d4sc01180e","","","0.71073","MoKα","","0.3389","0.1608","","","0.3439","0.4551","","","","","","1.798","","","","has coordinates","292860","2024-07-05","13:57:52",""
"1571604","18.5603","0.0002","10.2545","0.0001","7.7955","0.0001","90","","94.45","0.001","90","","1479.22","0.03","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","1.54184","CuKα","","0.0427","0.0385","","","0.1052","0.1093","","","","","","1.084","","","","has coordinates,has disorder","292861","2024-07-05","13:58:04",""
"1571605","18.6718","0.0016","10.1775","0.001","8.0982","0.0008","90","","92.583","0.003","90","","1537.4","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","0.71073","MoKα","","0.0871","0.055","","","0.1189","0.1364","","","","","","1.027","","","","has coordinates,has disorder","292861","2024-07-05","13:58:13",""
"1571606","19.0164","0.0019","9.4918","0.0012","8.9166","0.0011","90","","85.985","0.01","90","","1605.5","0.3","374.4","","374.4","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C8.57143 H5.71429 Cl0.571429 F1.71429 N1.14286 O1.14286 -","- C60 H40 Cl4 F12 N8 O8 -","7","1.75","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","1.54184","CuKα","","0.0956","0.0801","","","0.2936","0.3238","","","","","","1.21","","","","has coordinates","292861","2024-07-05","13:58:14",""
"1571607","18.847","0.006","10.089","0.003","8.313","0.002","90","","90.989","0.01","90","","1580.5","0.8","365","","365","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","0.71073","MoKα","","0.1582","0.0677","","","0.1518","0.1986","","","","","","1.021","","","","has coordinates,has disorder","292861","2024-07-05","13:58:22",""
"1571608","18.8875","0.0003","8.26765","0.00014","19.4727","0.0003","90","","96.5615","0.0014","90","","3020.85","0.08","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C120 H80 Cl8 F24 N16 O16 -","8","2","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","1.54184","CuKα","","0.0648","0.0622","","","0.1755","0.1767","","","","","","1.1","","","","has coordinates","292861","2024-07-05","13:58:22",""
"1571609","19.031","0.016","9.539","0.008","8.813","0.007","90","","86.26","0.03","90","","1596","2","380","","380","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","","0.71073","MoKα","","0.3019","0.1317","","","0.3205","0.4244","","","","","","1.055","","","","has coordinates,has disorder","292861","2024-07-05","13:58:22",""
"1571610","12.7862","0.0007","13.2072","0.0006","15.4523","0.0006","64.913","0.004","70.485","0.004","61.214","0.005","2043.3","0.2","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90 H140 N4 O2 Sm2 -","- C90 H140 N4 O2 Sm2 -","- C90 H140 N4 O2 Sm2 -","1","0.5","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0381","0.0304","","","0.0745","0.0775","","","","","","1.082","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571611","10.8737","0.0004","11.7593","0.0005","18.5401","0.0008","98.6","0.004","93.568","0.003","92.844","0.003","2335.3","0.17","180","0.1","180","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H67 N2 Sm -","- C53 H67 N2 Sm -","- C106 H134 N4 Sm2 -","2","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0486","0.0412","","","0.1036","0.1071","","","","","","1.125","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571612","12.5793","0.0004","21.9106","0.0006","15.8022","0.0004","90","","99.436","0.003","90","","4296.5","0.2","179.99","0.1","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 I2 N2 O Y -","- C41 H65 I2 N2 O Y -","- C164 H260 I8 N8 O4 Y4 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.1008","0.0662","","","0.1789","0.197","","","","","","1.077","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571613","12.5729","0.0003","21.8852","0.0004","15.9583","0.0003","90","","99.806","0.002","90","","4326.94","0.16","180","0.1","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 I2 N2 O Sm -","- C41 H65 I2 N2 O Sm -","- C164 H260 I8 N8 O4 Sm4 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.048","0.0387","","","0.099","0.1038","","","","","","1.061","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571614","12.8287","0.0002","13.2492","0.0002","15.2084","0.0002","110.299","0.001","94.391","0.001","118.829","0.002","2028.27","0.08","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C88 H136 N4 O2 Sm2 -","- C88 H136 N4 O2 Sm2 -","- C88 H136 N4 O2 Sm2 -","1","0.5","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0246","0.0219","","","0.0549","0.0558","","","","","","1.055","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571615","14.4271","0.0004","17.8919","0.0004","16.0725","0.0004","90","","102.8","0.003","90","","4045.67","0.18","179.98","0.1","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H65 N2 Sm -","- C45 H65 N2 Sm -","- C180 H260 N8 Sm4 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0437","0.0321","","","0.0792","0.0838","","","","","","1.055","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571616","22.0209","0.0006","13.3172","0.0003","25.7853","0.0006","90","","96.038","0.003","90","","7519.8","0.3","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H124 N4 Y2 -","- C82 H124 N4 Y2 -","- C328 H496 N16 Y8 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0895","0.0565","","","0.1473","0.1649","","","","","","1.047","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571617","28.8724","0.0005","21.9655","0.0002","25.9782","0.0004","90","","116.683","0.002","90","","14720.7","0.4","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H120 N4 Y2 -","- C80 H120 N4 Y2 -","- C640 H960 N32 Y16 -","8","2","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.1634","0.0833","","","0.1572","0.187","","","","","","1.033","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571618","11.5404","0.0005","16.0849","0.0006","20.2795","0.0008","90","","91.686","0.001","90","","3762.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 B10 N2 Si Ta -","- C34 H51 B10 N2 Si Ta -","- C136 H204 B40 N8 Si4 Ta4 -","4","1","","Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei","Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.","Chemical science","2024","15","21","7943","7948","10.1039/d4sc02629b","","","0.71073","MoKα","","0.0451","0.0289","","","0.0614","0.0682","","","","","","1.03","","","","has coordinates","292932","2024-07-05","15:09:25",""
"1571619","11.5786","0.0008","12.9866","0.001","26.895","0.002","90","","97.57","0.002","90","","4008.9","0.5","284","2","284","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 B10 N2 Ta -","- C35 H51 B10 N2 Ta -","- C140 H204 B40 N8 Ta4 -","4","1","","Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei","Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.","Chemical science","2024","15","21","7943","7948","10.1039/d4sc02629b","","","0.71073","MoKα","","0.0273","0.0232","","","0.0525","0.0542","","","","","","1.046","","","","has coordinates,has disorder","292932","2024-07-05","15:09:25",""
"1571620","9.3519","0.0004","17.5941","0.0008","28.9963","0.0013","90","","98.843","0.001","90","","4714.3","0.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H53 B10 N2 Ta -","- C41.5 H53 B10 N2 Ta -","- C166 H212 B40 N8 Ta4 -","4","1","","Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei","Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.","Chemical science","2024","15","21","7943","7948","10.1039/d4sc02629b","","","0.71073","MoKα","","0.0372","0.0331","","","0.0813","0.0834","","","","","","1.194","","","","has coordinates","292932","2024-07-05","15:09:25",""
"1571621","15.3128","0.0006","28.0479","0.001","28.7796","0.0011","90","","90","","90","","12360.6","0.8","260","","260","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 Fe2 N16 O2 -","- C64 H36 Au4 Fe2 N16 O2 -","- C512 H288 Au32 Fe16 N128 O16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","","0.71073","MoKα","","0.0702","0.0468","","","0.0886","0.0959","","","","","","1.114","","","","has coordinates,has disorder","292863","2024-07-05","14:06:07",""
"1571622","15.3837","0.001","27.856","0.002","28.739","0.0019","90","","90","","90","","12315.5","1.4","259.99","0.1","259.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1751","0.0692","","","0.1174","0.1651","","","","","","1.044","","","","has coordinates,has disorder","292863","2024-07-05","14:06:17",""
"1571623","27.6016","0.0006","28.7074","0.0008","15.346","0.0005","90","","90","","90","","12159.7","0.6","202.99","0.1","202.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 Fe2 N16 O2 -","- C64 H36 Au4 Fe2 N16 O2 -","- C512 H288 Au32 Fe16 N128 O16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1351","0.0899","","","0.1755","0.1985","","","","","","1.163","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571624","15.2903","0.001","27.605","0.002","28.6786","0.0016","90","","90","","90","","12104.9","1.4","197.99","0.1","197.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H72 Au8 Fe4 N32 O4 -","- C128 H72 Au8 Fe4 N32 O4 -","- C512 H288 Au32 Fe16 N128 O16 -","4","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1095","0.0698","","","0.1392","0.1636","","","","","","1.064","","","","has coordinates","292863","2024-07-05","14:06:18",""
"1571625","15.0208","0.0009","27.2962","0.0017","28.37","0.0017","90","","90","","90","","11632","1.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H72 Au8 Fe4 N32 O4 -","- C128 H72 Au8 Fe4 N32 O4 -","- C512 H288 Au32 Fe16 N128 O16 -","4","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","","0.71073","MoKα","","0.0672","0.0401","","","0.0673","0.0717","","","","","","1.065","","","","has coordinates","292863","2024-07-05","14:06:18",""
"1571626","15.40415","0.00012","27.6501","0.0002","28.6347","0.0002","90","","90","","90","","12196.3","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0606","0.0547","","","0.1547","0.1578","","","","","","1.136","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571627","15.40179","0.00012","27.7406","0.0002","28.6941","0.0002","90","","90","","90","","12259.7","0.16","198","0.1","198","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0373","0.0328","","","0.08","0.0819","","","","","","1.064","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571628","15.0987","0.0008","27.5674","0.0015","28.487","0.0015","90","","90","","90","","11857.2","1.1","145","","145","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H72 Au8 Fe4 N32 O4 -","- C128 H72 Au8 Fe4 N32 O4 -","- C512 H288 Au32 Fe16 N128 O16 -","4","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.0439","0.0328","","","0.0624","0.0649","","","","","","1.045","","","","has coordinates","292863","2024-07-05","14:06:18",""
"1571629","15.40483","0.00013","27.6851","0.0002","28.6645","0.0002","90","","90","","90","","12225","0.16","145","0.1","145","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1359","0.1388","","","","","","1.116","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571630","15.4294","0.00011","27.7081","0.0002","28.7128","0.0002","90","","90","","90","","12275.3","0.15","203","0.1","203","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0739","0.07","","","0.1371","0.1386","","","","","","1.299","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571631","10.3144","0.0003","12.2204","0.0004","13.0932","0.0004","90","","92.946","0.001","90","","1648.17","0.09","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin","Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.","Chemical science","2024","15","24","9192","9200","10.1039/d4sc02536a","","","0.71073","MoKα","","0.0579","0.0479","","","0.1211","0.1291","","","","","","1.059","","","","has coordinates,has disorder","292859","2024-07-05","13:57:28",""
"1571632","19.7752","0.0008","9.1254","0.0003","11.5285","0.0004","90","","96.477","0.001","90","","2067.12","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N O3 S2 -","- C20 H22 Cl N O3 S2 -","- C80 H88 Cl4 N4 O12 S8 -","4","1","","Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin","Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.","Chemical science","2024","15","24","9192","9200","10.1039/d4sc02536a","","","0.71073","MoKα","","0.0522","0.0429","","","0.1105","0.1191","","","","","","1.066","","","","has coordinates,has disorder","292859","2024-07-05","13:57:29",""
"1571633","8.6934","0.0001","21.4946","0.0004","12.5425","0.0002","90","","94.276","0.001","90","","2337.18","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 B N -","- C33 H24 B N -","- C132 H96 B4 N4 -","4","1","","Qin, Xiaoli; Huang, Lin; Zhan, Ziying; Fu, Peng; Wang, Qing; Zhang, Congyang; Huang, Jianhui; Ding, Zhifeng","Enhancing corannulene chemiluminescence, electrochemiluminescence and photoluminescence by means of an azabora-helicene to slow down its bowl inversion.","Chemical science","2024","15","25","9657","9668","10.1039/d4sc01524j","","x-ray","1.54184","CuKα","","0.068","0.0542","","","0.1578","0.1709","","","","","","1.033","","","","has coordinates","292900","2024-07-05","15:00:58",""
"1571634","7.4071","0.0001","15.896","0.0001","21.0437","0.0002","90","","90","","90","","2477.75","0.04","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 F N O3 S -","- C30 H24 F N O3 S -","- C120 H96 F4 N4 O12 S4 -","4","1","","Ewing, Paul M. D. A.; Majhi, Pankaj Kumar; Prentice, Callum; Young, Claire M.; van Rees, Karlotta; Arnold, Polly L.; Zysman-Colman, Eli; Smith, Andrew D.","α-Phenylthioaldehydes for the effective generation of acyl azolium and azolium enolate intermediates.","Chemical science","2024","15","24","9369","9375","10.1039/d3sc06879j","","x-ray","1.54184","CuKα","","0.0458","0.0446","","","0.1167","0.1183","","","","","","1.048","","","","has coordinates","292852","2024-07-05","13:55:04",""
"1571636","9.5504","0.0004","9.6216","0.0004","14.9202","0.0005","76.429","0.003","78.195","0.003","70.242","0.004","1242.47","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O6 -","- C30 H28 O6 -","- C60 H56 O12 -","2","1","","Samadder, Prodipta; Naim, Khalid; Sahoo, Subash Chandra; Neelakandan, Prakash P.","Surface coating induced room-temperature phosphorescence in flexible organic single crystals.","Chemical science","2024","15","24","9258","9265","10.1039/d4sc01708k","","x-ray","0.71073","MoKα","","0.0785","0.0487","","","0.1127","0.1303","","","","","","1.037","","","","has coordinates","292850","2024-07-05","13:54:25",""
"1571637","20.709","0.003","14.9107","0.0019","22.817","0.003","90","","107.434","0.003","90","","6721.9","1.6","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H34 -","- C42.75 H34 -","- C342 H272 -","8","2","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.1533","0.0666","","","0.1665","0.2174","","","","","","1.045","","","","has coordinates,has disorder","292854","2024-07-05","13:55:36",""
"1571638","20.644","0.0013","13.3024","0.0008","21.865","0.002","90","","111.818","0.002","90","","5574.3","0.7","193","2","193","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C65 H78 -","- C65 H78 -","- C260 H312 -","4","0.5","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0783","0.0565","","","0.1462","0.1645","","","","","","1.019","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571639","10.6181","0.0005","10.9815","0.0006","16.4791","0.0009","100.65","0.002","106.059","0.0019","91.5785","0.0019","1808.41","0.17","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H38 -","- C47 H38 -","- C94 H76 -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.1002","0.0575","","","0.153","0.1796","","","","","","1.016","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571640","11.2444","0.0006","11.592","0.0006","15.4587","0.0008","88.4787","0.0018","85.8921","0.0018","62.0337","0.0016","1775.04","0.16","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H42 -","- C47 H42 -","- C94 H84 -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0836","0.0571","","","0.1437","0.1624","","","","","","1.038","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571641","12.2669","0.0007","12.7915","0.0006","18.0256","0.0009","106.574","0.002","99.595","0.002","90.608","0.002","2667.9","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C65.25 H74.5 Cl0.5 -","- C65.25 H74.5 Cl0.5 -","- C130.5 H149 Cl -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0767","0.0593","","","0.1594","0.1743","","","","","","1.043","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571642","9.6243","0.0003","11.6276","0.0005","13.5153","0.0006","90.8439","0.0016","106.956","0.0014","109.296","0.0014","1355.07","0.1","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C41 H28 -","- C41 H28 -","- C82 H56 -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0558","0.0478","","","0.1234","0.13","","","","","","1.053","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571643","13.3948","0.0006","14.7194","0.0006","20.6475","0.0009","100.057","0.002","93.842","0.002","115.215","0.002","3580.5","0.3","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H42 -","- C47 H42 -","- C188 H168 -","4","2","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","1.54178","CuKα","","0.0819","0.0586","","","0.147","0.1636","","","","","","1.026","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571644","10.9046","0.0006","14.0514","0.0006","24.7528","0.0015","90","","94.09","0.002","90","","3783.1","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 O6 -","- C47 H42 O6 -","- C188 H168 O24 -","4","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0748","0.0572","","","0.1364","0.1488","","","","","","1.033","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571645","10.256","0.002","20.262","0.004","29.739","0.006","94.02","0.03","93.18","0.03","103.46","0.03","5979","2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H29 F -","- C41 H29 F -","- C328 H232 F8 -","8","4","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.1758","0.0817","","","0.1658","0.2102","","","","","","1.06","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571646","13.0897","0.0001","13.0897","0.0001","60.7234","0.0012","90","","90","","120","","9010.4","0.2","273","2","273","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B180 Ba12 K84 O360 Sc24 -","- B180 Ba12 K84 O360 Sc24 -","- B180 Ba12 K84 O360 Sc24 -","1","0.0555556","","Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.","Chemical science","2024","15","23","8959","8965","10.1039/d4sc01853b","","","0.71073","MoKα","","0.0311","0.0251","","","0.0571","0.06","","","","","","1.053","","","","has coordinates","292925","2024-07-05","15:07:58",""
"1571647","13.367","0.003","13.367","0.003","14.906","0.003","90","0.03","90","0.03","120","0.03","2306.5","1.1","273","2","273","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B45 Ba0 O90 Rb21 Sc5.2 Sr3.8 -","- B45 O90 Rb21 Sc5.199 Sr3.801 -","- B45 O90 Rb21 Sc5.199 Sr3.801 -","1","0.0555556","","Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.","Chemical science","2024","15","23","8959","8965","10.1039/d4sc01853b","","","0.71073","MoKα","","0.0189","0.0168","","","0.038","0.0387","","","","","","1.099","","","","has coordinates","292925","2024-07-05","15:07:59",""
"1571648","15.17387","0.00007","18.69703","0.00008","16.12642","0.00007","90","","98.0083","0.0004","90","","4530.55","0.03","294.7","0.7","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ru(phen)2phi](PF6)2","bis(1,10-phenanthroline)-(phenanthrenediamine)-ruthenium hexafluorophosphate","","- C38 H26 F0.05 N6 P0.05 Ru -","- C8 H5.8 F2.4 N1.4 P0.4 Ru0.2 -","- C160 H116 F48 N28 P8 Ru4 -","20","5","","Prieto Otoya, Tayler D.; McQuaid, Kane T.; Paterson, Neil G.; Cardin, David J.; Kellett, Andrew; Cardin, Christine J.","Re-pairing DNA: binding of a ruthenium phi complex to a double mismatch.","Chemical science","2024","15","24","9096","9103","10.1039/d4sc01448k","","x-ray","1.54184","CuKα","","0.0522","0.0491","","","0.191","0.1989","","","","","","0.938","","","","has coordinates","292856","2024-07-05","13:56:26",""
"1571649","29.6682","0.0014","17.7115","0.0009","34.7181","0.0018","90","","114.038","0.002","90","","16661.1","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H72 Au25 F18 S18 -","- C108 H72 Au25 F18 S18 -","- C432 H288 Au100 F72 S72 -","4","0.5","","Gratious, Saniya; Afreen, ?; Mahal, Eti; Thomas, Jibin; Saha, Shubhadeep; Nair, Akhil S.; Adarsh, K. V.; Pathak, Biswarup; Mandal, Sukhendu","""Visualizing"" the partially reversible conversion of gold nanoclusters <i>via</i> the Au<sub>23</sub>(S-<i>c</i>-C<sub>6</sub>H<sub>11</sub>)<sub>17</sub> intermediate.","Chemical science","2024","15","25","9823","9829","10.1039/d4sc01225a","","","0.71073","MoKα","","0.061","0.0598","","","0.1446","0.1451","","","","","","1.167","","","","has coordinates,has disorder","292897","2024-07-05","14:59:55",""
"1571650","18.9192","0.0002","25.1964","0.0004","43.0574","0.0005","90","","90","","90","","20525.3","0.5","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H134 Cl4 Mo9 N9 O31 P -","- C70 H134 Cl4 Mo9 N9 O31 P -","- C560 H1072 Cl32 Mo72 N72 O248 P8 -","8","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","x-ray","0.71073","MoKα","","0.0865","0.054","","","0.1368","0.1583","","","","","","1.033","","","","has coordinates","292857","2024-07-05","13:56:58",""
"1571651","27.1448","0.0003","27.3825","0.0003","29.9056","0.0005","90","","100.611","0.0013","90","","21848.5","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H154 Cl8 Mo18 N15 O62 P2 -","- C92 H154 Cl8 Mo18 N15 O62 P2 -","- C368 H616 Cl32 Mo72 N60 O248 P8 -","4","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","x-ray","0.4142","synchrotron","","0.0879","0.0645","","","0.1795","0.1922","","","","","","1.033","","","","has coordinates,has disorder","292857","2024-07-05","13:56:59",""
"1571652","39.2789","0.0003","39.2789","0.0003","32.7662","0.0005","90","","90","","90","","50552.7","0.9","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H48 Mo36 N24 O124 P4 -","- C60 H48 Mo36 N24 O124 P4 -","- C240 H192 Mo144 N96 O496 P16 -","4","0.25","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","","0.4151","Synchrotron","","0.0935","0.0641","","","0.1987","0.2196","","","","","","1.073","","","","has coordinates,has disorder","292857","2024-07-05","13:56:59",""
"1571653","18.2063","0.0002","23.9584","0.0002","27.3167","0.0003","85.3618","0.0008","74.6634","0.0009","87.3652","0.0008","11449.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H215 Cl4 Mo18 N32 O62 P2 -","- C120 H215 Cl4 Mo18 N32 O62 P2 -","- C240 H430 Cl8 Mo36 N64 O124 P4 -","2","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","","0.4142","Synchrotron","","0.0817","0.0644","","","0.1876","0.1999","","","","","","1.083","","","","has coordinates,has disorder","292857","2024-07-05","13:56:59",""
"1571654","18.8686","0.0002","5.4367","0.0001","22.9849","0.0002","90","","94.932","0.001","90","","2349.13","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H62 N2 O10 S2 -","- C48 H62 N2 O10 S2 -","- C96 H124 N4 O20 S4 -","2","1","","Yang, Hao-Ran; Cheng, Xiang; Chang, Xin; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang","Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence","Chemical Science","2024","15","26","10135","10145","10.1039/D4SC01804D","","x-ray","1.54184","CuKα","","0.037","0.0362","","","0.0984","0.0991","","","","","","1.036","","","","has coordinates","292877","2024-07-05","14:13:21",""
"1571655","12.6662","0.0004","5.6008","0.0001","36.635","0.0011","90","","116.175","0.004","90","","2332.4","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O5 S -","- C24 H31 N O5 S -","- C96 H124 N4 O20 S4 -","4","2","","Yang, Hao-Ran; Cheng, Xiang; Chang, Xin; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang","Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence","Chemical Science","2024","15","26","10135","10145","10.1039/D4SC01804D","","x-ray","1.54184","CuKα","","0.0791","0.0615","","","0.1559","0.171","","","","","","0.984","","","","has coordinates","292877","2024-07-05","14:13:23",""
"1571656","19.052","0.002","13.3058","0.0015","13.995","0.002","90","","99.388","0.008","90","","3500.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 B20 N2 Rh S2 -","- C22 H41 B20 N2 Rh S2 -","- C88 H164 B80 N8 Rh4 S8 -","4","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.1225","0.0767","","","0.1908","0.2238","","","","","","1.099","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571657","11.6139","0.0005","13.1923","0.0006","13.5261","0.0006","98.948","0.002","101.424","0.002","91.727","0.002","2002.63","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H42 B20 F3 Ir N2 O3 S3 -","- C23 H42 B20 F3 Ir N2 O3 S3 -","- C46 H84 B40 F6 Ir2 N4 O6 S6 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34138","GaKα","","0.0431","0.0384","","","0.0958","0.1","","","","","","1.1","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571658","12.1157","0.0011","13.1515","0.0012","15.8884","0.0014","102.935","0.004","95.742","0.005","111.659","0.004","2246.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H52 B20 N5 Rh S2 -","- C27 H52 B20 N5 Rh S2 -","- C54 H104 B40 N10 Rh2 S4 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.54178","CuKα","","0.0326","0.0291","","","0.0685","0.0704","","","","","","1.041","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571659","19.1073","0.0006","13.3046","0.0004","13.9712","0.0004","90","","99.297","0.001","90","","3505.03","0.18","174","2","174","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.6 H32.8 B16 Ir0.8 N1.6 S1.6 -","- C17.6 H32.8 B16 Ir0.8 N1.6 S1.6 -","- C88 H164 B80 Ir4 N8 S8 -","5","1.25","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.038","0.0357","","","0.1137","0.1171","","","","","","1.067","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571660","11.6103","0.0011","13.1824","0.0013","13.5411","0.0013","99.204","0.004","101.43","0.004","91.527","0.004","2001.6","0.3","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H42 B20 F3 N2 O3 Rh S3 -","- C23 H42 B20 F3 N2 O3 Rh S3 -","- C46 H84 B40 F6 N4 O6 Rh2 S6 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.0595","0.0438","","","0.0906","0.1036","","","","","","1.096","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571661","31.1627","0.0009","12.4318","0.0003","14.5172","0.0004","90","","107.595","0.002","90","","5361","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 B20 N2 S2 -","- C12 H28 B20 N2 S2 -","- C96 H224 B160 N16 S16 -","8","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.54178","CuKα","","0.0797","0.0633","","","0.1794","0.1932","","","","","","1.028","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571662","10.9098","0.0009","25.502","0.002","31.388","0.003","90","","90","","90","","8732.8","1.3","193","2","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H43 B30 Cl4 N3 S3 -","- C16 H41 B30 Cl2 N3 S3 -","- C128 H328 B240 Cl16 N24 S24 -","8","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.2144","0.144","","","0.377","0.4114","","","","","","1.053","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571663","17.6388","0.0006","18.5304","0.0007","24.0367","0.0009","91.778","0.002","91.812","0.002","103.901","0.001","7616.5","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H158 B60 Ir6 N6 S6 -","- C90 H158 B60 Ir6 N6 S6 -","- C180 H316 B120 Ir12 N12 S12 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.0472","0.0395","","","0.0973","0.1016","","","","","","1.036","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571664","28.8469","0.0004","28.8469","0.0004","28.8469","0.0004","90","","90","","90","","24004.8","0.6","298","2","298","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C24 H18 Cu3 N10 O2 -","- C24 H18 Cu3 N10 O1.9999 -","- C384 H288 Cu48 N160 O31.9984 -","16","0.333333","","Wu, Ying; Liang, Gang; Li, Wen-Bin; Zhong, Xiao-Feng; Zhang, Yang-Yang; Ye, Jia-Wen; Yang, Tao; Mo, Zong-Wen; Chen, Xiao-Ming","Boosting the degradation of antibiotics <i>via</i> peroxymonosulfate activation with a Cu-based metal-organic framework.","Chemical science","2024","15","25","9733","9741","10.1039/d4sc02850c","","x-ray","1.54184","CuKα","","0.0396","0.0289","","","0.0601","0.0634","","","","","","0.884","","","","has coordinates","292894","2024-07-05","14:59:04",""
"1571665","6.3691","0.0001","12.0175","0.0002","9.083","0.0002","90","","108.989","0.002","90","","657.39","0.02","106","2","106","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi","β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.","Chemical science","2024","15","23","8750","8755","10.1039/d4sc01208a","","x-ray","1.54184","CuKα","","0.0283","0.0277","","","0.0734","0.0737","","","","","","1.069","","","","has coordinates","292926","2024-07-05","15:08:14",""
"1571666","6.4548","0.0001","17.2854","0.0003","12.2879","0.0002","90","","90","","90","","1371.01","0.04","106","5","106","5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi","β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.","Chemical science","2024","15","23","8750","8755","10.1039/d4sc01208a","","x-ray","1.54184","CuKα","","0.0924","0.091","","","0.2571","0.2585","","","","","","1.13","","","","has coordinates,has disorder","292926","2024-07-05","15:08:15",""
"1571667","6.549","0.004","5.673","0.003","5.3115","0.0003","90","","90","","90","","197.34","0.16","295","1","295","1","","","","","","","","3","P m n 21","P 2ac -2","31","","","Zn3MoN4","- Mo N4 Zn3 -","- Mo N4 Zn3 -","- Mo2 N8 Zn6 -","2","0.5","","Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy","Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.","Chemical science","2024","15","25","9709","9718","10.1039/d4sc00322e","","","0.1821","synchrotron","","","","","","","","","","1.796","","","","","","","has coordinates","292893","2024-07-05","14:58:53",""
"1571668","6.5602","0.0008","5.6813","0.0007","5.3235","0.0002","90","","90","","90","","198.41","0.04","295","1","295","1","","","","","","","","3","P m n 21","P 2ac -2","31","","","Zn3WN4","- N8 W1.66 Zn6.34 -","- N8 W1.66 Zn6.34 -","- N8 W1.66 Zn6.34 -","1","0.25","","Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy","Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.","Chemical science","2024","15","25","9709","9718","10.1039/d4sc00322e","","","0.1821","synchrotron","","","","","","","","","","1.885","","","","","","","has coordinates","292893","2024-07-05","14:58:54",""
"1571669","10.9922","0.0002","11.1557","0.0002","16.1415","0.0003","90","","90","","90","","1979.36","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Wu, Yafei; Wang, Zhuo; Shan, Yuqian; Ma, Yukun; Li, Teng; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed asymmetric [4 + 3] cycloaddition of methylene-trimethylenemethane: access to seven-membered exocyclic axially chiral allenes.","Chemical science","2024","15","25","9703","9708","10.1039/d4sc01649a","","","1.54178","CuKα","","0.0589","0.0588","","","0.1291","0.1293","","","","","","1.133","","","","has coordinates","292896","2024-07-05","14:59:45",""
"1571670","7.7942","0.0001","10.2718","0.0001","25.9536","0.0004","90","","90","","90","","2077.86","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Wu, Yafei; Wang, Zhuo; Shan, Yuqian; Ma, Yukun; Li, Teng; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed asymmetric [4 + 3] cycloaddition of methylene-trimethylenemethane: access to seven-membered exocyclic axially chiral allenes.","Chemical science","2024","15","25","9703","9708","10.1039/d4sc01649a","","x-ray","1.54184","CuKα","","0.077","0.0729","","","0.1902","0.194","","","","","","1.152","","","","has coordinates","292896","2024-07-05","14:59:46",""
"1571671","15.4014","0.0002","15.4014","0.0002","19.1444","0.0005","90","","90","","90","","4541.11","0.14","100","2","100","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C26 H27 F N2 O8 Zn2 -","- C26 H27 F N2 O8 Zn2 -","- C104 H108 F4 N8 O32 Zn8 -","4","0.125","","Di, Tuo; Yoshida, Yukihiro; Otake, Ken-Ichi; Kitagawa, Susumu; Kitagawa, Hiroshi","Increased CO<sub>2</sub>/N<sub>2</sub> selectivity by stepwise fluorination in isoreticular ultramicroporous metal-organic frameworks.","Chemical science","2024","15","25","9641","9648","10.1039/d4sc01525h","","","0.71075","MoKα","","0.0408","0.0387","","","0.1226","0.124","","","","","","1.169","","","","has coordinates,has disorder","292899","2024-07-05","15:00:49",""
"1571672","10.9257","0.0002","10.9257","0.0002","9.5984","0.0003","90","","90","","90","","1145.77","0.05","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C26 H26 F2 N2 O8 Zn2 -","- C26 H26 F2 N2 O8 Zn2 -","- C26 H26 F2 N2 O8 Zn2 -","1","0.0625","","Di, Tuo; Yoshida, Yukihiro; Otake, Ken-Ichi; Kitagawa, Susumu; Kitagawa, Hiroshi","Increased CO<sub>2</sub>/N<sub>2</sub> selectivity by stepwise fluorination in isoreticular ultramicroporous metal-organic frameworks.","Chemical science","2024","15","25","9641","9648","10.1039/d4sc01525h","","","0.71075","MoKα","","0.0584","0.0576","","","0.1878","0.1884","","","","","","1.21","","","","has coordinates,has disorder","292899","2024-07-05","15:00:51",""
"1571680","16.9122","0.0007","16.9122","0.0007","31.516","0.003","90","","90","","90","","9014.3","1","273","2","273","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C118 H138 Cu4 F24 N32 Zr4 -","- C118 H138 Cu4 F24 N32 Zr4 -","- C236 H276 Cu8 F48 N64 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0507","0.0447","","","0.1279","0.1323","","","","","","1.127","","","","has coordinates,has disorder","292855","2024-07-05","13:56:10",""
"1571681","16.7225","0.0005","16.7225","0.0005","31.858","0.0014","90","","90","","90","","8908.8","0.5","301","2","301","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C29 H24 Cu F12 N8 O0 Zr -","- C29 H24 Cu F12 N8 Zr -","- C232 H192 Cu8 F96 N64 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0918","0.0713","","","0.1896","0.1967","","","","","","1.347","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571682","16.8758","0.0002","16.8758","0.0002","31.7415","0.0011","90","","90","","90","","9039.7","0.3","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C27 H25 Cu F12 N8 O0 Zr -","- C27 H25 Cu F12 N10 Zr -","- C216 H200 Cu8 F96 N80 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0405","0.0356","","","0.1015","0.1035","","","","","","1.169","","","","has coordinates","292855","2024-07-05","13:56:11",""
"1571683","17.0131","0.0003","17.0131","0.0003","31.454","0.0013","90","","90","","90","","9104.2","0.4","296","2","296","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C118 H124 Cu4 F24 N32 Zr4 -","- C118 H124 Cu4 F24 N32 Zr4 -","- C236 H248 Cu8 F48 N64 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0495","0.044","","","0.1393","0.144","","","","","","1.182","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571684","17.1374","0.0009","17.1374","0.0009","31.4","0.003","90","","90","","90","","9221.9","1.1","273","2","273","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C26 H24 Cu F6 N8 Zr -","- C26 H24 Cu F6 N8 Zr -","- C208 H192 Cu8 F48 N64 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0388","0.0337","","","0.0906","0.093","","","","","","1.072","","","","has coordinates","292855","2024-07-05","13:56:11",""
"1571685","17.105","0.003","17.105","0.003","31.249","0.011","90","","90","","90","","9143","4","273","2","273","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C118 H108 Cu4 F24 N32 O16 Zr4 -","- C118 H108 Cu4 F24 N32 O16 Zr4 -","- C236 H216 Cu8 F48 N64 O32 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.1107","0.0662","","","0.1793","0.212","","","","","","1.116","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571686","16.8824","0.0016","16.8824","0.0016","31.921","0.006","90","","90","","90","","9098","2","273","2","273","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C26 H18 Cu F12 N8 Zr -","- C26 H18 Cu F12 N8 Zr -","- C208 H144 Cu8 F96 N64 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0451","0.0409","","","0.1314","0.1338","","","","","","1.064","","","","has coordinates","292855","2024-07-05","13:56:11",""
"1571687","16.9799","0.0005","16.9799","0.0005","31.1337","0.0011","90","","90","","90","","8976.4","0.5","273","2","273","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C118 H122 Cu4 F24 N32 O16 Zr4 -","- C118 H122 Cu4 F24 N32 O16 Zr4 -","- C236 H244 Cu8 F48 N64 O32 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0648","0.0562","","","0.1682","0.1769","","","","","","1.192","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571688","5.4676","0.0008","10.7252","0.0015","26.292","0.004","90","","90","","90","","1541.8","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl O -","- C19 H15 Cl O -","- C76 H60 Cl4 O4 -","4","1","","Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.","Chemical science","2024","15","24","9361","9368","10.1039/d4sc02763a","","x-ray","1.54178","CuKα","","0.0595","0.0481","","","0.1196","0.1274","","","","","","1.013","","","","has coordinates","292862","2024-07-05","13:58:34",""
"1571689","7.228","0.002","10.686","0.003","25.745","0.007","90","","90","","90","","1988.5","1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F N O2 -","- C26 H20 F N O2 -","- C104 H80 F4 N4 O8 -","4","1","","Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.","Chemical science","2024","15","24","9361","9368","10.1039/d4sc02763a","","","1.54178","CuKα","","0.0303","0.0299","","","0.0786","0.079","","","","","","1.062","","","","has coordinates","292862","2024-07-05","13:58:35",""
"1571690","12.1952","0.0003","12.2266","0.0003","12.7568","0.0004","78.461","0.002","62.446","0.003","64.147","0.003","1517.58","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 O6 -","- C40 H32 O6 -","- C80 H64 O12 -","2","1","","Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.","Chemical science","2024","15","24","9361","9368","10.1039/d4sc02763a","","x-ray","1.54184","CuKα","","0.0611","0.0496","","","0.1226","0.1296","","","","","","1.055","","","","has coordinates","292862","2024-07-05","13:58:35",""
"1571691","9.75307","0.00009","16.23315","0.00013","18.76027","0.00018","90","","90","","90","","2970.18","0.05","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O -","- C18 H21 N O -","- C144 H168 N8 O8 -","8","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0381","0.0348","","","0.0899","0.0928","","","","","","1.019","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571692","5.64642","0.00005","20.42415","0.00018","13.59672","0.00011","90","","92.2646","0.0007","90","","1566.79","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N -","- C20 H25 N -","- C80 H100 N4 -","4","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0418","0.0389","","","0.0995","0.1021","","","","","","1.041","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571693","9.2584","0.0002","9.9261","0.0002","11.8278","0.0003","93.448","0.002","90.414","0.002","96.639","0.002","1077.62","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O2 -","- C25 H34 N2 O2 -","- C50 H68 N4 O4 -","2","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0579","0.0521","","","0.1251","0.1297","","","","","","1.022","","","","has coordinates,has disorder","292902","2024-07-05","15:01:21",""
"1571694","5.71447","0.00011","17.9506","0.0003","16.3618","0.0003","90","","99.38","0.002","90","","1655.92","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0472","0.0409","","","0.1009","0.1053","","","","","","1.051","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571695","8.8935","0.0002","14.9861","0.0004","16.6162","0.0003","112.739","0.002","90.306","0.002","103.676","0.002","1972.96","0.09","100.01","0.15","100.01","0.15","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","2","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0883","0.0783","","","0.1685","0.1732","","","","","","1.073","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571696","5.9523","0.0006","13.5277","0.0014","9.0395","0.0009","90","","104.324","0.003","90","","705.24","0.12","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","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","1.54178","CuKα","","0.0277","0.0276","","","0.0707","0.0708","","","","","","1.053","","","","has coordinates","292865","2024-07-05","14:07:25",""
"1571697","7.5018","0.0006","10.4685","0.0007","9.002","0.0007","90","","108.336","0.004","90","","671.06","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","0.5","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","1.54178","CuKα","","0.0517","0.0478","","","0.1273","0.1306","","","","","","1.071","","","","has coordinates","292865","2024-07-05","14:07:28",""
"1571698","7.9853","0.0011","11.7489","0.0017","10.3831","0.0015","90","","103.886","0.006","90","","945.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C44 H40 O20 -","4","1","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","0.71073","MoKα","","0.0553","0.0469","","","0.1192","0.1269","","","","","","1.028","","","","has coordinates","292865","2024-07-05","14:07:38",""
"1571699","7.3505","0.0006","9.0364","0.0006","18.556","0.0014","89.703","0.004","88.498","0.004","82.907","0.004","1222.67","0.16","193","","193","","","","","","","","","6","P -1","-P 1","2","A2H3OInCl6,H2O","A2H3OInCl6,H2O","","- C16 H25 Cl6 In N2 O4 -","- C16 H25 Cl6 In N2 O4 -","- C32 H50 Cl12 In2 N4 O8 -","2","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","1.34139","GaKα","","0.0844","0.0694","","","0.1914","0.2136","","","","","","1.035","","","","has coordinates","292873","2024-07-05","14:10:24",""
"1571700","4.8984","0.0002","15.8013","0.0006","10.8025","0.0005","90","","102.614","0.002","90","","815.94","0.06","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACl","ACl","","- C8 H10 Cl N O -","- C8 H10 Cl N O -","- C32 H40 Cl4 N4 O4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","1.34139","GaKα","","0.0634","0.0517","","","0.1422","0.1503","","","","","","1.07","","","","has coordinates","292873","2024-07-05","14:10:26",""
"1571701","4.9287","0.0002","16.2486","0.0006","10.9152","0.0004","90","","102.485","0.001","90","","853.47","0.06","198","","198","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Abr","ABr","","- C8 H10 Br N O -","- C8 H10 Br N O -","- C32 H40 Br4 N4 O4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","1.54178","CuKα","","0.0275","0.0262","","","0.0713","0.0719","","","","","","1.083","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571702","7.5012","0.0002","17.0754","0.0004","17.8494","0.0006","90","","101.815","0.001","90","","2237.82","0.11","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","A2ZnBr4,H2O","A2ZnBr4,H2O","","- C16 H22 Br4 N2 O3 Zn -","- C16 H22 Br4 N2 O3 Zn -","- C64 H88 Br16 N8 O12 Zn4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","0.71073","MoKα","","0.0263","0.0209","","","0.0475","0.0492","","","","","","1.051","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571703","9.3919","0.0006","11.4149","0.0007","11.0818","0.0006","90","","108.353","0.002","90","","1127.62","0.12","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","A2SnCl6","A2SnCl6","","- C16 H20 Cl6 N2 O2 Sn -","- C16 H20 Cl6 N2 O2 Sn -","- C32 H40 Cl12 N4 O4 Sn2 -","2","0.5","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","","0.71073","MoKα","","0.0328","0.0278","","","0.0678","0.07","","","","","","1.254","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571704","7.308","0.003","16.775","0.008","17.665","0.008","90","","101.133","0.012","90","","2124.8","1.6","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","A2ZnCl4,H2O","A2ZnCl4,H2O","","- C16 H22 Cl4 N2 O3 Zn -","- C16 H22 Cl4 N2 O3 Zn -","- C64 H88 Cl16 N8 O12 Zn4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","","0.71073","MoKα","","0.1386","0.0781","","","0.1267","0.1465","","","","","","1.078","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571707","9.2015","0.0019","15.281","0.004","20.007","0.003","104.66","0.02","97.26","0.02","102.4","0.02","2609","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66.5 H58 D12 S -","- C66.5 H58 D12 S -","- C133 H116 D24 S2 -","2","1","","Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin","Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions","Chemical Science","2024","15","26","10101","10109","10.1039/D4SC02459A","","x-ray","1.54184","CuKα","","0.0666","0.0575","","","0.1654","0.1725","","","","","","1.087","","","","has coordinates,has disorder","292880","2024-07-05","14:14:46",""
"1571708","9.141","0.002","16.305","0.004","16.996","0.005","105.22","0.04","91.86","0.04","99.67","0.03","2401.8","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H67 N -","- C60 H67 N -","- C120 H134 N2 -","2","1","","Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin","Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions","Chemical Science","2024","15","26","10101","10109","10.1039/D4SC02459A","","x-ray","1.54184","CuKα","","0.1595","0.1176","","","0.3186","0.3408","","","","","","1.031","","","","has coordinates,has disorder","292880","2024-07-05","14:14:48",""
"1571709","9.742","0.002","15.56","0.004","30.552","0.012","90","","93.27","0.04","90","","4624","2","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H67 N -","- C60 H67 N -","- C240 H268 N4 -","4","1","","Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin","Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions","Chemical Science","2024","15","26","10101","10109","10.1039/D4SC02459A","","","1.54184","CuKα","","0.1197","0.0633","","","0.1556","0.1911","","","","","","1.02","","","","has coordinates","292880","2024-07-05","14:14:48",""
"1571710","20.2235","0.0011","30.1037","0.0007","27.7552","0.0007","90","","108.649","0.004","90","","16010.2","1.1","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","- C640 H680 N56 Ni12 -","4","1","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.171","0.1127","","","0.3239","0.3921","","","","","","1.077","","","","has coordinates,has disorder","292878","2024-07-05","14:14:09",""
"1571711","11.99689","0.00017","15.9669","0.0002","23.9854","0.0003","73.518","0.0012","89.4513","0.0011","80.3482","0.0012","4339.81","0.1","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","1","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.0658","0.0625","","","0.1625","0.1652","","","","","","1.094","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571712","16.4956","0.0003","19.5137","0.0008","27.9638","0.0006","90","","98.4471","0.0018","90","","8903.6","0.4","100.2","0.5","100.2","0.5","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C160 H168 N14 Ni3 -","- C160 H168 N14 Ni3 -","- C320 H336 N28 Ni6 -","2","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1191","0.0939","","","0.285","0.3089","","","","","","1.126","","","","has coordinates","292878","2024-07-05","14:14:10",""
"1571713","16.6924","0.0004","19.0219","0.0005","21.9272","0.0006","80.695","0.002","71.43","0.002","72.72","0.002","6284.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C128 H122 Cl5 F6 N10 Ni2 Sb -","- C128 H122 Cl5 F6 N10 Ni2 Sb -","- C256 H244 Cl10 F12 N20 Ni4 Sb2 -","2","1","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1193","0.1035","","","0.2774","0.2938","","","","","","1.033","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571714","12.1732","0.0004","15.6437","0.0003","24.1466","0.0004","72.6545","0.0016","80.455","0.002","79.266","0.002","4282.49","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","1","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.0729","0.0604","","","0.1527","0.1605","","","","","","1.018","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571715","33.012","0.0007","17.7275","0.0003","30.1749","0.0005","90","","91.719","0.002","90","","17651","0.6","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C205 H229 N14 Ni3 O -","- C205 H229 N14 Ni3 O -","- C820 H916 N56 Ni12 O4 -","4","1","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.0832","0.0613","","","0.1478","0.1625","","","","","","1.022","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571716","19.5178","0.0005","27.725","0.0009","28.7677","0.0006","104.436","0.002","95.669","0.002","104.971","0.003","14340.6","0.7","100.27","0.1","100.27","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C160 H164 N14 Ni3 -","- C160 H164 N14 Ni3 -","- C480 H492 N42 Ni9 -","3","1.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1492","0.0983","","","0.2607","0.3045","","","","","","0.984","","","","has coordinates","292878","2024-07-05","14:14:10",""
"1571717","19.8298","0.0003","27.6668","0.0004","28.8267","0.0004","104.249","0.0011","96.2653","0.0012","105.308","0.0013","14526","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C480 H487 Cl3 N42 Ni9 -","- C480 H487 Cl3 N42 Ni9 -","- C480 H487 Cl3 N42 Ni9 -","1","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1384","0.0982","","","0.2645","0.2935","","","","","","0.959","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571718","14.7232","0.0002","9.8889","0.0001","51.6585","0.0006","90","","94.723","0.001","90","","7495.74","0.15","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TTABN","","- C96 H84 B2 N6 -","- C96 H84 B2 N6 -","- C384 H336 B8 N24 -","4","1","","Chen, Yi-Kuan; Lei, Jian; Wu, Tien-Lin","Elevating the upconversion performance of a multiple resonance thermally activated delayed fluorescence emitter via an embedded azepine approach","Chemical Science","2024","15","26","10146","10154","10.1039/D4SC02351J","","x-ray","1.54184","CuKα","","0.0629","0.0539","","","0.1342","0.1385","","","","","","1.118","","","","has coordinates","292879","2024-07-05","14:14:23",""
"1571719","20.7278","0.00013","13.75053","0.00009","25.09061","0.00016","90","","90","","90","","7151.28","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","TAzBN","","- C48 H36 B N3 -","- C48 H36 B N3 -","- C384 H288 B8 N24 -","8","1","","Chen, Yi-Kuan; Lei, Jian; Wu, Tien-Lin","Elevating the upconversion performance of a multiple resonance thermally activated delayed fluorescence emitter via an embedded azepine approach","Chemical Science","2024","15","26","10146","10154","10.1039/D4SC02351J","","x-ray","1.54184","CuKα","","0.0454","0.0408","","","0.1091","0.1125","","","","","","1.038","","","","has coordinates","292879","2024-07-05","14:14:24",""
"1571720","24.6517","0.0011","6.4107","0.0003","26.2782","0.0012","90","","106.673","0.002","90","","3978.3","0.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H22 Mg N4 O14 -","- C10 H22 Mg N4 O14 -","- C80 H176 Mg8 N32 O112 -","8","1","","Li, Yang; Ok, Kang Min","Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals","Chemical Science","2024","15","26","10193","10199","10.1039/D4SC02569E","","","0.71073","MoKα","","0.1177","0.0843","","","0.1705","0.1859","","","","","","1.176","","","","has coordinates","292876","2024-07-05","14:11:25",""
"1571721","8.821","0.008","10.477","0.009","9.205","0.009","90","","110.89","0.03","90","","794.8","1.3","171","","171","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Li2 N4 O10 -","- C10 H14 Li2 N4 O10 -","- C20 H28 Li4 N8 O20 -","2","0.5","","Li, Yang; Ok, Kang Min","Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals","Chemical Science","2024","15","26","10193","10199","10.1039/D4SC02569E","","","0.71073","MoKα","","0.0926","0.0535","","","0.113","0.1307","","","","","","1.019","","","","has coordinates","292876","2024-07-05","14:11:26",""
"1571722","8.212","0.0006","8.9624","0.0006","9.932","0.0007","82.101","0.002","68.227","0.002","70.184","0.002","638.59","0.08","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Li2 N6 O12 -","- C20 H24 Li2 N6 O12 -","- C20 H24 Li2 N6 O12 -","1","0.5","","Li, Yang; Ok, Kang Min","Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals","Chemical Science","2024","15","26","10193","10199","10.1039/D4SC02569E","","x-ray","0.71073","MoKα","","0.0453","0.0404","","","0.1088","0.1127","","","","","","1.022","","","","has coordinates","292876","2024-07-05","14:11:26",""
"1571730","23.163","0.002","12.6413","0.0011","15.781","0.0013","90","","91.796","0.003","90","","4618.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Os4 Th -","- C40 H60 Os4 Th -","- C160 H240 Os16 Th4 -","4","1","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.0521","0.0387","","","0.0801","0.0862","","","","","","1.041","","","","has coordinates","292895","2024-07-05","14:59:26",""
"1571731","18.6052","0.0005","9.9998","0.0003","13.383","0.0004","90","","90","","90","","2489.88","0.12","100","","100","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C46 H73 Os4 Th -","- C46 H73 Os4 Th -","- C92 H146 Os8 Th2 -","2","0.5","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","x-ray","0.71073","MoKα","","0.0247","0.0216","","","0.0463","0.047","","","","","","1.045","","","","has coordinates,has disorder","292895","2024-07-05","14:59:35",""
"1571732","13.7391","0.0015","13.7391","0.0015","25.158","0.003","90","","90","","90","","4748.9","0.9","100","","100","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C46 H64 Os4 Th -","- C46 H64 Os4 Th -","- C184 H256 Os16 Th4 -","4","0.25","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.051","0.0445","","","0.1071","0.1101","","","","","","1.214","","","","has coordinates,has disorder","292895","2024-07-05","14:59:36",""
"1571733","40.875","0.004","10.0269","0.001","23.315","0.002","90","","113.731","0.004","90","","8747.7","1.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 Os4 U -","- C40 H59 Os4 U -","- C320 H472 Os32 U8 -","8","1","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.0397","0.0314","","","0.067","0.0701","","","","","","1.069","","","","has coordinates,has disorder","292895","2024-07-05","14:59:36",""
"1571734","21.395","0.002","21.395","0.002","21.395","0.002","90","","90","","90","","9793.5","1.6","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C40 H60 Os4 U -","- C39.999 H59.9985 Os4 U -","- C319.992 H479.988 Os32 U8 -","8","0.333333","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.0372","0.0342","","","0.0965","0.0986","","","","","","1.109","","","","has coordinates,has disorder","292895","2024-07-05","14:59:36",""
"1571735","5.1363","0.0001","7.0488","0.0002","20.63","0.0006","87.499","0.002","87.373","0.002","75.469","0.002","721.85","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","1","0.5","","Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.","Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.","Chemical science","2024","15","25","9630","9640","10.1039/d4sc02339k","","x-ray","1.54184","CuKα","","0.0487","0.0458","","","0.1233","0.1274","","","","","","1.049","","","","has coordinates","292892","2024-07-05","14:58:43",""
"1571736","5.088","0.008","7.898","0.012","17.03","0.02","93.5","0.05","92.9","0.04","93.65","0.05","680.7","1.7","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N2 O4 -","- C30 H38 N2 O4 -","- C30 H38 N2 O4 -","1","0.5","","Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.","Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.","Chemical science","2024","15","25","9630","9640","10.1039/d4sc02339k","","","0.71073","MoKα","","0.2081","0.1776","","","0.3906","0.4118","","","","","","1.668","","","","has coordinates","292892","2024-07-05","14:58:44",""
"1571737","5.2191","0.0003","9.7042","0.0004","14.6193","0.0006","92.556","0.003","99.112","0.004","90.114","0.004","730.32","0.06","99.97","0.15","99.97","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Br4 N2 O4 -","- C30 H34 Br4 N2 O4 -","- C30 H34 Br4 N2 O4 -","1","0.5","","Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.","Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.","Chemical science","2024","15","25","9630","9640","10.1039/d4sc02339k","","x-ray","1.54184","CuKα","","0.1043","0.0953","","","0.2924","0.3137","","","","","","1.454","","","","has coordinates,has disorder","292892","2024-07-05","14:58:44",""
"1571738","25.207","0.0012","25.207","0.0012","14.984","0.001","90","","90","","120","","8245.2","0.8","100","","100","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C110 H73 F17 N9 O12 -","- C104 H63.9996 F16.9998 N6 O12 -","- C208 H127.999 F33.9996 N12 O24 -","2","0.333333","","Karmakar, Pratik; Finnegan, Tyler J.; Rostam, Darian C.; Taneja, Sagarika; Uçar, Sefa; Hansen, Alexandar L.; Moore, Curtis E.; Hadad, Christopher M.; Pratumyot, Kornkanya; Parquette, Jon R.; Badjić, Jovica D.","Molecular bowls for inclusion complexation of toxic anticancer drug methotrexate","Chemical Science","2024","15","26","10155","10163","10.1039/D3SC05627A","","x-ray","0.71073","MoKα","K-L~3~","0.2652","0.1611","","","0.369","0.45","","","","","","1.396","","","","has coordinates,has disorder","292875","2024-07-05","14:11:10",""
"1571739","11.0742","0.0006","8.9131","0.0005","11.9898","0.0007","90","","97.772","0.002","90","","1172.59","0.11","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 B10 N2 O2 -","- C20 H26 B10 N2 O2 -","- C40 H52 B20 N4 O4 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0943","0.0601","","","0.1423","0.1646","","","","","","1.049","","","","has coordinates","293754","2024-08-05","18:01:56",""
"1571740","7.6015","0.0003","10.8533","0.0004","12.873","0.0005","104.407","0.002","96.511","0.002","91.171","0.002","1020.7","0.07","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 B10 N2 O4 -","- C14 H22 B10 N2 O4 -","- C28 H44 B20 N4 O8 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0678","0.0513","","","0.143","0.1565","","","","","","1.056","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571741","10.2799","0.0002","29.3893","0.0006","13.7124","0.0003","90","","103.772","0.001","90","","4023.68","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 B12 Cl2 N2 O4 -","- C31 H46 B12 Cl2 N2 O4 -","- C124 H184 B48 Cl8 N8 O16 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.1168","0.0944","","","0.2632","0.2951","","","","","","1.052","","","","has coordinates,has disorder","293754","2024-08-05","18:01:57",""
"1571742","9.9546","0.0004","11.4754","0.0005","13.422","0.0006","108.262","0.002","111.141","0.001","90.935","0.002","1343.46","0.1","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 B10 Cl2 N4 -","- C23 H24 B10 Cl2 N4 -","- C46 H48 B20 Cl4 N8 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","x-ray","0.71073","MoKα","","0.0662","0.0452","","","0.122","0.1386","","","","","","1.065","","","","has coordinates,has disorder","293754","2024-08-05","18:01:57",""
"1571743","11.4304","0.0002","13.1152","0.0003","14.0118","0.0003","90","","104.978","0.001","90","","2029.17","0.07","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B10 Br N -","- C16 H20 B10 Br N -","- C64 H80 B40 Br4 N4 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0415","0.0354","","","0.0885","0.0928","","","","","","1.04","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571744","9.712","0.002","11.259","0.003","19.629","0.003","90","","90.43","0.013","90","","2146.3","0.8","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","123","","- C17 H24 B10 N2 O3 -","- C17 H24 B10 N2 O3 -","- C68 H96 B40 N8 O12 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.0922","0.0685","","","0.1879","0.2056","","","","","","1.055","","","","has coordinates,has disorder","293754","2024-08-05","18:01:57",""
"1571745","15.2441","0.0003","11.0252","0.0002","12.837","0.0003","90","","100.802","0.001","90","","2119.28","0.08","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 B5 N2 O4 -","- C7 H9 B5 N2 O4 -","- C56 H72 B40 N16 O32 -","8","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0502","0.0457","","","0.1265","0.1308","","","","","","1.056","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571746","9.8802","0.0013","15.147","0.002","19.407","0.004","90","","90","","90","","2904.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H17 B10 Br N2 -","- C7 H17 B10 Br N2 -","- C56 H136 B80 Br8 N16 -","8","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","0.71073","MoKα","","0.0922","0.0492","","","0.1143","0.1395","","","","","","1.03","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571747","7.3214","0.0015","22.248","0.004","12.425","0.003","90","","94.249","0.015","90","","2018.3","0.7","302","","302","","","","","","","","","4","P 1 21 1","P 2yb","4","","123","","- C18 H20 B10 N2 -","- C18 H20 B10 N2 -","- C72 H80 B40 N8 -","4","2","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.066","0.0442","","","0.1126","0.1219","","","","","","1.05","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571748","9.2904","0.0015","10.4019","0.0016","11.1933","0.0018","80.24","0.008","66.662","0.007","67.274","0.007","915.9","0.3","302","","302","","","","","","","","","5","P -1","-P 1","2","","123","","- C13 H18 B10 N2 O3 -","- C13 H18 B10 N2 O3 -","- C26 H36 B20 N4 O6 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.0548","0.0486","","","0.1394","0.1426","","","","","","1.075","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571749","10.4497","0.0003","13.3728","0.0004","17.3909","0.0005","90","","92.063","0.002","90","","2428.66","0.12","302","","302","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","123","","- C21 H26 B10 N2 O3 -","- C21 H26 B10 N2 O3 -","- C84 H104 B40 N8 O12 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.0528","0.0422","","","0.1165","0.1245","","","","","","1.074","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571750","26.5187","0.0005","26.5187","0.0005","26.5187","0.0005","90","","90","","90","","18649","0.6","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C192 H144 Cl F18 Fe2 N36 O4 P3 -","- C180 H120 Cl F18 Fe2 N36 P3 -","- C720 H480 Cl4 F72 Fe8 N144 P12 -","4","0.333333","","Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem","Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure.","Chemical science","2024","15","24","9047","9053","10.1039/d4sc01365d","","","0.7288","synchrotron","","0.0526","0.0503","","","0.1469","0.15","","","","","","1.066","","","","has coordinates,has disorder","292851","2024-07-05","13:54:54",""
"1571751","26.5373","0.0007","26.5373","0.0007","26.5373","0.0007","90","","90","","90","","18688.3","0.9","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C192 H144 Br F18 Fe2 N36 O4 P3 -","- C180 H120 Br F18 Fe2 N36 P3 -","- C720 H480 Br4 F72 Fe8 N144 P12 -","4","0.333333","","Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem","Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure.","Chemical science","2024","15","24","9047","9053","10.1039/d4sc01365d","","","0.7288","synchrotron","","0.0889","0.0742","","","0.2073","0.2223","","","","","","1.042","","","","has coordinates,has disorder","292851","2024-07-05","13:54:54",""
"1571752","26.532","0.003","26.532","0.003","26.532","0.003","90","","90","","90","","18677","4","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C195 H152 F15.66 Fe2 I2.17 N36 O6 P2.61 -","- C180 H120 F15.6636 Fe2 I2.1682 N36 O P2.6106 -","- C720 H480 F62.6544 Fe8 I8.6728 N144 O4 P10.4424 -","4","0.333333","","Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem","Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure.","Chemical science","2024","15","24","9047","9053","10.1039/d4sc01365d","","","0.72932","synchrotron","","0.0546","0.0542","","","0.1597","0.1604","","","","","","1.067","","","","has coordinates,has disorder","292851","2024-07-05","13:54:54",""
"1571753","14.1616","0.0001","14.6125","0.0001","15.9286","0.0001","66.405","0.001","76.568","0.001","74.111","0.001","2876.94","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H74 Cl4 -","- C70 H74 Cl4 -","- C140 H148 Cl8 -","2","1","","Swain, Asim; Radacki, Krzysztof; Braunschweig, Holger; Ravat, Prince","Helically twisted nanoribbons <i>via</i> stereospecific annulative π-extension reaction employing [7]helicene as a molecular wrench.","Chemical science","2024","15","30","11737","11747","10.1039/d4sc01814a","","x-ray","1.54184","CuKα","K-L~2,3~","0.0671","0.0643","","","0.1687","0.171","","","","","","1.072","","","","has coordinates,has disorder","293770","2024-08-05","18:10:06",""
"1571754","14.6922","0.0004","15.4658","0.0004","16.5251","0.0004","114.189","0.003","109.595","0.003","93.418","0.002","3140.92","0.19","100","2","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C83 H60 Cl6 -","- C83 H60 Cl6 -","- C166 H120 Cl12 -","2","2","","Swain, Asim; Radacki, Krzysztof; Braunschweig, Holger; Ravat, Prince","Helically twisted nanoribbons <i>via</i> stereospecific annulative π-extension reaction employing [7]helicene as a molecular wrench.","Chemical science","2024","15","30","11737","11747","10.1039/d4sc01814a","","","1.54184","CuKα","","0.1143","0.0936","","","0.2424","0.2691","","","","","","1.052","","","","has coordinates,has disorder","293770","2024-08-05","18:10:06",""
"1571755","19.7467","0.0005","13.7604","0.0003","19.3018","0.0005","90","","94.242","0.002","90","","5230.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cl Fe N2 O3 -","- C30 H27 Cl Fe N2 O3 -","- C240 H216 Cl8 Fe8 N16 O24 -","8","1","","Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong","How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.","Chemical science","2024","15","27","10477","10490","10.1039/d4sc02002b","","","1.54186","CuKα","","0.0513","0.0402","","","0.095","0.109","","","","","","1.082","","","","has coordinates","293755","2024-08-05","18:02:13",""
"1571756","10.5013","0.0003","12.2497","0.0004","12.4905","0.0004","60.915","0.002","76.06","0.002","73.339","0.002","1335.26","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Fe N2 O3 -","- C29 H28 Cl2 Fe N2 O3 -","- C58 H56 Cl4 Fe2 N4 O6 -","2","1","","Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong","How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.","Chemical science","2024","15","27","10477","10490","10.1039/d4sc02002b","","","1.54186","CuKα","","0.0671","0.0631","","","0.1729","0.1771","","","","","","1.047","","","","has coordinates,has disorder","293755","2024-08-05","18:02:15",""
"1571757","15.0583","0.0004","17.6346","0.0005","9.3797","0.0003","90","","90.429","0.002","90","","2490.68","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl Fe N2 O2 S -","- C27 H27 Cl Fe N2 O2 S -","- C108 H108 Cl4 Fe4 N8 O8 S4 -","4","1","","Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong","How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.","Chemical science","2024","15","27","10477","10490","10.1039/d4sc02002b","","","1.54186","CuKα","","0.0572","0.0391","","","0.0969","0.1038","","","","","","0.944","","","","has coordinates,has disorder","293755","2024-08-05","18:02:15",""
"1571758","8.0168","0.0004","42.038","0.002","15.3836","0.0007","90","","97.965","0.003","90","","5134.4","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H22 O -","- C41 H22 O -","- C328 H176 O8 -","8","2","","Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej","Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.","Chemical science","2024","15","25","9842","9850","10.1039/d4sc00892h","","","0.71073","MoKα","","0.128","0.0632","","","0.1193","0.1397","","","","","","1.057","","","","has coordinates","292901","2024-07-05","15:01:10",""
"1571759","15.5109","0.0011","8.9771","0.0007","16.8196","0.0013","90","","101.427","0.004","90","","2295.6","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 O -","- C37 H20 O -","- C148 H80 O4 -","4","1","","Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej","Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.","Chemical science","2024","15","25","9842","9850","10.1039/d4sc00892h","","","0.71073","MoKα","","0.1117","0.0861","","","0.1992","0.2198","","","","","","1.164","","","","has coordinates","292901","2024-07-05","15:01:11",""
"1571760","10.6528","0.0007","13.9671","0.0009","18.2044","0.0011","90","","90","","90","","2708.6","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H24 O -","- C45 H24 O -","- C180 H96 O4 -","4","1","","Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej","Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.","Chemical science","2024","15","25","9842","9850","10.1039/d4sc00892h","","","0.71073","MoKα","","0.0453","0.0442","","","0.1285","0.1296","","","","","","1.117","","","","has coordinates","292901","2024-07-05","15:01:11",""
"1571761","11.782","0.0006","18.0992","0.001","38.789","0.002","87.108","0.003","89.657","0.002","86.001","0.003","8240.9","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C164 H124 F15 N3 O19 -","- C164 H124 F15 N3 O19 -","- C328 H248 F30 N6 O38 -","2","1","","Nian, Hao; Wang, Song-Meng; Wang, Yan-Fang; Zheng, Yu-Tao; Zheng, Li-Shuo; Wang, Xiaoping; Yang, Liu-Pan; Jiang, Wei; Cao, Liping","Selective recognition and enrichment of C70 over C60 using an anthracene-based nanotube","Chemical Science","2024","15","26","10214","10220","10.1039/D4SC02814G","","","1.34139","GaKα","","0.1448","0.0904","","","0.2784","0.3228","","","","","","1.071","","","","has coordinates,has disorder","292874","2024-07-05","14:10:59",""
"1571762","15.0972","0.0014","24.931","0.002","29.79","0.003","88.424","0.003","82.103","0.003","84.163","0.003","11047.6","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C165 H144 Cl12 F24 N4 P4 -","- C165 H144 Cl12 F24 N4 P4 -","- C330 H288 Cl24 F48 N8 P8 -","2","1","","Dong, Shaoqiang; Han, Yi; Tong, Zekun; Wang, Jinfeng; Zhang, Yishan; Li, Aisen; Gopalakrishna, Tullimilli Y.; Tian, Hongkun; Chi, Chunyan","Facile synthesis and characterization of aza-bridged all-benzenoid quinoidal figure-eight and cage molecules.","Chemical science","2024","15","24","9087","9095","10.1039/d3sc02707d","","","0.71073","MoKα","","0.2292","0.1501","","","0.3719","0.4006","","","","","","1.909","","","","has coordinates","292858","2024-07-05","13:57:15",""
"1571763","24.0699","0.0007","24.0699","0.0007","29.1508","0.0014","90","","90","","120","","14626.1","0.9","100","2","100","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C204 H162 F36 N6 Sb6 -","- C204 H162 F36 N6 Sb6 -","- C408 H324 F72 N12 Sb12 -","2","0.166667","","Dong, Shaoqiang; Han, Yi; Tong, Zekun; Wang, Jinfeng; Zhang, Yishan; Li, Aisen; Gopalakrishna, Tullimilli Y.; Tian, Hongkun; Chi, Chunyan","Facile synthesis and characterization of aza-bridged all-benzenoid quinoidal figure-eight and cage molecules.","Chemical science","2024","15","24","9087","9095","10.1039/d3sc02707d","","","1.54178","CuKα","","0.1959","0.1543","","","0.3581","0.3977","","","","","","2.191","","","","has coordinates","292858","2024-07-05","13:57:16",""
"1571783","19.3505","0.0003","19.3505","0.0003","21.7466","0.0005","90","","90","","90","","8142.8","0.3","193","","193","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C96 H108 N4 Pt Si4 -","- C96 H108 N4 Pt Si4 -","- C384 H432 N16 Pt4 Si16 -","4","0.25","","Qu, Chulin; Gong, Xinxin; Sun, Yufen; Gao, Hu; Cai, Fangjian; Zhao, Yue; Wu, Fan; Shen, Zhen","Synergistic <i>meso</i>-β regulation of porphyrins: squeezing the band gap into the near-infrared I/II region.","Chemical science","2024","15","27","10491","10498","10.1039/d4sc01806k","","x-ray","1.34139","GaKα","","0.0236","0.0207","","","0.0534","0.0546","","","","","","1.054","","","","has coordinates","293757","2024-08-05","18:03:02",""
"1571784","16.041","0.001","17.7484","0.0011","19.0998","0.0012","107.001","0.003","106.988","0.003","94.445","0.003","4893.7","0.5","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H128 Cl N5 Si4 Zn -","- C104 H128 Cl N5 Si4 Zn -","- C208 H256 Cl2 N10 Si8 Zn2 -","2","1","","Qu, Chulin; Gong, Xinxin; Sun, Yufen; Gao, Hu; Cai, Fangjian; Zhao, Yue; Wu, Fan; Shen, Zhen","Synergistic <i>meso</i>-β regulation of porphyrins: squeezing the band gap into the near-infrared I/II region.","Chemical science","2024","15","27","10491","10498","10.1039/d4sc01806k","","x-ray","1.34139","GaKα","","0.1918","0.1177","","","0.2874","0.3321","","","","","","1.051","","","","has coordinates,has disorder","293757","2024-08-05","18:03:03",""
"1571785","9.4163","0.0004","10.5452","0.0005","10.6006","0.0005","76.484","0.004","77.312","0.004","76.71","0.004","980.61","0.08","123","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H56 Br2 O2 S2 Si2 -","- C34 H56 Br2 O2 S2 Si2 -","- C34 H56 Br2 O2 S2 Si2 -","1","0.5","","Tani, Yosuke; Miyata, Kiyoshi; Ou, Erika; Oshima, Yuya; Komura, Mao; Terasaki, Morihisa; Kimura, Shuji; Ehara, Takumi; Kubo, Koki; Onda, Ken; Ogawa, Takuji","Fast, efficient, narrowband room-temperature phosphorescence from metal-free 1,2-diketones: rational design and the mechanism.","Chemical science","2024","15","28","10784","10793","10.1039/d4sc02841d","","x-ray","0.71073","MoKα","","0.0292","0.0254","","","0.0648","0.0667","","","","","","1.024","","","","has coordinates,has disorder","293746","2024-08-05","17:58:45",""
"1571786","9.5389","0.0012","28.047","0.004","16.886","0.002","90","","99.148","0.004","90","","4460.2","1","123","2","123","2","","","","","","","","2","C 1 c 1","C -2yc","9","","1,3,7-Tri-tert-butylpyrene","","- C28 H34 -","- C28 H34 -","- C224 H272 -","8","2","","Ohtsuka, Motoo; Ghosh, Koushik; Yim, Jacky C.-H.; Sotome, Hikaru; Okamoto, Tsubasa; Suda, Kayo; Kobori, Yasuhiro; Yokogawa, Daisuke; Miyasaka, Hiroshi; Crudden, Cathleen M.; Nambo, Masakazu","Visible-light-induced direct C-H alkylation of polycyclic aromatic hydrocarbons with alkylsulfones.","Chemical science","2024","15","27","10592","10599","10.1039/d4sc02577f","","","0.71075","MoKα","","0.0854","0.0461","","","0.0861","0.0973","","","","","","0.971","","","","has coordinates","293761","2024-08-05","18:03:56",""
"1571787","10.05628","0.00017","5.8382","0.00012","23.8712","0.0004","90","","100.565","0.0017","90","","1377.73","0.04","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H12 F2 O2 -","- C18 H12 F2 O2 -","- C72 H48 F8 O8 -","4","2","","Giri, Rahul; Zhilin, Egor; Katayev, Dmitry","Divergent functionalization of alkenes enabled by photoredox activation of CDFA and α-halo carboxylic acids.","Chemical science","2024","15","27","10659","10667","10.1039/d4sc01084a","","x-ray","1.54184","CuKα","","0.0412","0.0386","","","0.1097","0.1114","","","","","","1.065","","","","has coordinates,has disorder","293758","2024-08-05","18:03:13",""
"1571788","14.015","0.003","20.406","0.004","25.223","0.006","90","","90","","90","","7214","3","143","2","143","2","","","","","","","","3","P b c n","-P 2n 2ab","60","P5Ph","Per-phenyl-substituted pillar[5]arene","","- C48.125 H35 Cl1.25 -","- C48.125 H35 Cl1.25 -","- C385 H280 Cl10 -","8","1","","Kaneda, Tomoya; Kato, Kenichi; Ohtani, Shunsuke; Ogoshi, Tomoki","Pillar[5]arenes decorated with six-membered-ring aromatics at all the substitution positions.","Chemical science","2024","15","27","10651","10658","10.1039/d4sc01042f","","","0.71075","MoKα","","0.093","0.087","","","0.1826","0.1863","","","","","","1.191","","","","has coordinates","293759","2024-08-05","18:03:21",""
"1571789","30.8986","0.0017","10.7331","0.0006","22.0999","0.0013","90","","90","","90","","7329.2","0.7","100","2","100.03","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H24 Cl4 -","- C48 H24 Cl4 -","- C384 H192 Cl32 -","8","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.1275","0.1051","","","0.2838","0.309","","","","","","1.182","","","","has coordinates","293762","2024-08-05","18:05:48",""
"1571790","15.9841","0.0007","17.718","0.0008","23.9712","0.001","92.321","0.003","107.956","0.003","112.455","0.002","5871","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H124 Cl4 K2 O18 -","- C104 H124 Cl4 K2 O18 -","- C208 H248 Cl8 K4 O36 -","2","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.1146","0.0961","","","0.2608","0.2762","","","","","","1.041","","","","has coordinates","293762","2024-08-05","18:05:49",""
"1571791","22.6813","0.0011","16.1611","0.0011","19.3896","0.0012","90","","108.576","0.004","90","","6737.1","0.7","106","","106","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H44 Cl17.98 O2 Sb2 -","- C64 H44 Cl17.98 O2 Sb2 -","- C256 H176 Cl71.92 O8 Sb8 -","4","0.5","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.0401","0.0331","","","0.0743","0.0798","","","","","","1.084","","","","has coordinates,has disorder","293762","2024-08-05","18:05:49",""
"1571792","29.1132","0.0016","11.2694","0.0006","57.979","0.003","90","","90","","90","","19022.2","1.8","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C128 H88 Cl7.96 O4 -","- C128 H88 Cl7.961 O4 -","- C1024 H704 Cl63.688 O32 -","8","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.0473","0.0436","","","0.1117","0.1165","","","","","","1.031","","","","has coordinates","293762","2024-08-05","18:05:49",""
"1571793","9.4752","0.0004","11.6241","0.0003","12.9271","0.0006","90","","111.55","0.005","90","","1324.27","0.1","295.4","0.6","295.4","0.6","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H29 F I N2 P S -","- C25 H29 F I N2 P S -","- C50 H58 F2 I2 N4 P2 S2 -","2","1","","Zhang, Hongkui; Tan, Jian-Ping; Ren, Xiaoyu; Wang, Fan; Zheng, Jia-Yan; He, Jiajia; Feng, Yu; Xu, Zhipeng; Su, Zhishan; Wang, Tianli","Synergistically activating nucleophile strategy enabled organocatalytic asymmetric P-addition of cyclic imines.","Chemical science","2024","15","30","12017","12025","10.1039/d4sc02212b","","x-ray","1.54184","CuKα","","0.0978","0.0957","","","0.2193","0.223","","","","","","1.131","","","","has coordinates","293776","2024-08-05","18:12:13",""
"1571794","9.9178","0.0005","13.3016","0.0008","14.7232","0.0009","68.269","0.002","83.486","0.002","69.787","0.002","1692.94","0.17","280","2","280","","","","","","","","","2","P -1","-P 1","2","","","","- C49 H32 -","- C49 H32 -","- C98 H64 -","2","1","","Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo","Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.","Chemical science","2024","15","27","10547","10555","10.1039/d4sc02178a","","","0.71073","MoKα","","0.1127","0.0603","","","0.1433","0.172","","","","","","1.036","","","","has coordinates","293763","2024-08-05","18:06:02",""
"1571795","10.0916","0.0004","10.7661","0.0004","13.935","0.0005","74.868","0.001","84.912","0.001","78.065","0.002","1428.94","0.09","150","2","150","","","","","","","","","2","P -1","-P 1","2","","","","- C43 H28 -","- C43 H28 -","- C86 H56 -","2","1","","Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo","Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.","Chemical science","2024","15","27","10547","10555","10.1039/d4sc02178a","","","0.71073","MoKα","","0.0632","0.0453","","","0.1029","0.1147","","","","","","1.026","","","","has coordinates","293763","2024-08-05","18:06:03",""
"1571796","10.5749","0.0004","12.4865","0.0005","12.8313","0.0005","90.401","0.001","90.147","0.001","99.575","0.001","1670.63","0.11","302","2","302","","","","","","","","","2","P -1","-P 1","2","","","","- C49 H32 -","- C49 H32 -","- C98 H64 -","2","1","","Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo","Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.","Chemical science","2024","15","27","10547","10555","10.1039/d4sc02178a","","","0.71073","MoKα","","0.1014","0.0582","","","0.1395","0.1653","","","","","","1.023","","","","has coordinates","293763","2024-08-05","18:06:03",""
"1571798","10.7069","0.0007","16.7483","0.0006","31.0611","0.0012","90","","91.717","0.004","90","","5567.4","0.5","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H59 Cl4 N9 -","- C63 H59 Cl4 N9 -","- C252 H236 Cl16 N36 -","4","1","","Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro","The unprecedented strong paratropic ring current of a bis-Pd<sup>II</sup> complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).","Chemical science","2024","15","29","11402","11407","10.1039/d4sc01909a","","x-ray","1.54184","CuKα","","0.0916","0.0729","","","0.1843","0.1975","","","","","","1.063","","","","has coordinates","293737","2024-08-05","17:56:14",""
"1571799","11.9268","0.0003","27.7816","0.0009","16.3663","0.0005","90","","105.272","0.003","90","","5231.4","0.3","100","0.9","100","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H100 B2 F4 N14 -","- C116 H100 B2 F4 N14 -","- C232 H200 B4 F8 N28 -","2","1","","Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro","The unprecedented strong paratropic ring current of a bis-Pd<sup>II</sup> complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).","Chemical science","2024","15","29","11402","11407","10.1039/d4sc01909a","","x-ray","1.54184","CuKα","","0.0894","0.0656","","","0.1563","0.1724","","","","","","1.023","","","","has coordinates","293737","2024-08-05","17:56:15",""
"1571800","14.5782","0.0003","19.0441","0.0004","16.8698","0.0005","90","","90","","90","","4683.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H48 Cl N7 Pd2 -","- C58 H47 Cl N7 Pd2 -","- C232 H188 Cl4 N28 Pd8 -","4","0.5","","Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro","The unprecedented strong paratropic ring current of a bis-Pd<sup>II</sup> complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).","Chemical science","2024","15","29","11402","11407","10.1039/d4sc01909a","","x-ray","1.54184","CuKα","","0.0592","0.0549","","","0.1348","0.1376","","","","","","1.102","","","","has coordinates,has disorder","293737","2024-08-05","17:56:15",""
"1571801","5.8945","0.0012","7.7498","0.0014","20.085","0.004","90","","91.072","0.015","90","","917.3","0.3","294.85","","294.85","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C H -","- C1.01961 H0.862745 -","- C52 H44 -","51","12.75","","Zhou, Shuang; Qiu, Tianyu; Wang, He; Tang, Boyan; Su, Yang; Nan, Tianhao; Dong, Junchao; Wang, Zihao; Liu, Dongtao; Zhu, Guangshan","Flexible porous organic polymers constructed using C(sp<sup>3</sup>)-C(sp<sup>3</sup>) coupling reactions and their high methane-storage capacity.","Chemical science","2024","15","28","10830","10837","10.1039/d4sc01289e","","x-ray","1.54178","CuKα","K-L~3~","0.1908","0.1442","","","0.4252","0.4511","","","","","","1.085","","","","has coordinates","293751","2024-08-05","18:00:14",""
"1571802","19.662","0.0013","23.7645","0.0017","19.8456","0.0014","90","","113.508","0.002","90","","8503.4","1","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H52.5 N13 O10.5 Pd S2 -","- C56 H52.5 N13 O10.3333 Pd S2 -","- C224 H210 N51.9998 O41.3332 Pd4 S8 -","4","2","","Montà-González, Giovanni; Bastante-Rodríguez, David; García-Fernández, Alba; Lusby, Paul J.; Martínez-Máñez, Ramón; Martí-Centelles, Vicente","Comparing organic and metallo-organic hydrazone molecular cages as potential carriers for doxorubicin delivery","Chemical Science","2024","15","26","10010","10017","10.1039/D4SC02294G","","","0.71073","MoKα","","0.0628","0.0449","","","0.1073","0.1162","","","","","","1.037","","","","has coordinates,has disorder","292881","2024-07-05","14:15:09",""
"1571808","15.2592","0.0002","12.0316","0.0001","18.0659","0.0002","90","","103.902","0.001","90","","3219.61","0.06","250.01","0.1","250.01","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C39 H26 F6 N O Sb -","- C39 H26 F6 N O Sb -","- C156 H104 F24 N4 O4 Sb4 -","4","1","","Zhang, Jingxian; Sun, Tao; Wang, Kangmin; Hu, Ruike; Zhou, Chunlin; Ge, Haibo; Li, Bijin","Rh(iii)-catalyzed building up of used heterocyclic cations: facile access to white-light-emitting materials.","Chemical science","2024","15","31","12270","12276","10.1039/d4sc02188f","","x-ray","1.54184","CuKα","","0.0488","0.0445","","","0.1144","0.119","","","","","","1.046","","","","has coordinates,has disorder","294484","2024-09-05","23:55:45",""
"1571809","10.6003","0.0006","13.7655","0.0007","15.6971","0.0008","79.49","0.002","72.182","0.002","67.933","0.002","2014.97","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H59 N5 O2 Zr -","- C42 H59 N5 O2 Zr -","- C84 H118 N10 O4 Zr2 -","2","1","","Nuñez Bahena, Erick; Hosseini, Kimia; Curto, Sheila Galván; Schafer, Laurel L.","Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes.","Chemical science","2024","15","27","10571","10576","10.1039/d4sc00636d","","","0.71073","MoKα","","0.0449","0.0324","","","0.0691","0.0736","","","","","","1.012","","","","has coordinates","293760","2024-08-05","18:03:42",""
"1571810","10.4694","0.0007","13.7275","0.001","14.5277","0.0011","96.63","0.002","103.052","0.002","109.933","0.002","1869.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 N5 O2 Zr -","- C37 H57 N5 O2 Zr -","- C74 H114 N10 O4 Zr2 -","2","1","","Nuñez Bahena, Erick; Hosseini, Kimia; Curto, Sheila Galván; Schafer, Laurel L.","Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes.","Chemical science","2024","15","27","10571","10576","10.1039/d4sc00636d","","","0.71073","MoKα","","0.052","0.0371","","","0.0871","0.0915","","","","","","1.029","","","","has coordinates","293760","2024-08-05","18:03:44",""
"1571811","34.527","0.004","10.5749","0.0013","27.352","0.003","90","","111.514","0.004","90","","9291","1.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H71 N5 O2 Si Zr -","- C46 H71 N5 O2 Si Zr -","- C368 H568 N40 O16 Si8 Zr8 -","8","1","","Nuñez Bahena, Erick; Hosseini, Kimia; Curto, Sheila Galván; Schafer, Laurel L.","Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes.","Chemical science","2024","15","27","10571","10576","10.1039/d4sc00636d","","","0.71073","MoKα","","0.0551","0.0388","","","0.0823","0.0875","","","","","","1.04","","","","has coordinates","293760","2024-08-05","18:03:44",""
"1571812","4.915","0.003","11.218","0.007","20.402","0.014","90","","90","","90","","1124.9","1.2","285","2","285","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 F5 O -","- C12 H9 F5 O -","- C48 H36 F20 O4 -","4","1","","Luo, Zheng; Zhang, Xiaoyu; Li, Zaiyang; Luo, Meiming; Zeng, Xiaoming","Mild ketyl radical generation and coupling with alkynes enabled by Cr catalysis: stereoselective access to <i>E</i>-exocyclic allyl alcohols.","Chemical science","2024","15","29","11428","11434","10.1039/d4sc02967d","","","0.71073","MoKα","","0.1124","0.0546","","","0.1253","0.1573","","","","","","1.026","","","","has coordinates","293733","2024-08-05","17:54:15",""
"1571813","16.7116","0.0005","31.6354","0.0005","23.446","0.0005","90","","110.465","0.003","90","","11613.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H175 Mn18 N O58 -","- C65 H143 Mn18 N O50 -","- C260 H572 Mn72 N4 O200 -","4","1","","He, Yan; Liu, Yang; Zheng, Huijuan; Xiang, Zhen; Zhou, Zheng; Geng, Fengting; Geng, Longlong; Dikarev, Evgeny V.; Han, Haixiang","From cubane-assembled Mn-oxo clusters to monodispersed manganese oxide colloidal nanocrystals.","Chemical science","2024","15","27","10381","10391","10.1039/d4sc01451k","","","0.71073","MoKα","","0.1447","0.0958","","","0.2399","0.2714","","","","","","1.028","","","","has coordinates,has disorder","293756","2024-08-05","18:02:44",""
"1571814","10.4312","0.0005","13.1605","0.0006","16.2948","0.0008","106.181","0.003","99.194","0.004","90.133","0.004","2118.14","0.18","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H96 Mn18 N2 O50 -","- C48 H88 Mn18 N2 O48 -","- C48 H88 Mn18 N2 O48 -","1","0.5","","He, Yan; Liu, Yang; Zheng, Huijuan; Xiang, Zhen; Zhou, Zheng; Geng, Fengting; Geng, Longlong; Dikarev, Evgeny V.; Han, Haixiang","From cubane-assembled Mn-oxo clusters to monodispersed manganese oxide colloidal nanocrystals.","Chemical science","2024","15","27","10381","10391","10.1039/d4sc01451k","","","1.54178","CuKα","","0.1306","0.0707","","","0.182","0.2192","","","","","","0.928","","","","has coordinates","293756","2024-08-05","18:02:44",""
"1571815","8.2893","0.0003","14.163","0.0004","10.0325","0.0003","90","","103.686","0.003","90","","1144.39","0.06","123.15","","123.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H19 Br N6 O -","- C25 H19 Br N6 O -","- C50 H38 Br2 N12 O2 -","2","1","","Guo, Weiwei; Huang, Jianhao; Ishihara, Kazuaki","Chiral π-Cu(ii)-catalyzed site-, <i>exo</i>/<i>endo</i>-, and enantioselective dearomative (3 + 2) cycloadditions of isoquinolinium ylides with enamides, dienamides, and a trienamide.","Chemical science","2024","15","28","10926","10934","10.1039/d4sc02946a","","x-ray","0.71073","MoKα","","0.0265","0.0246","","","0.065","0.0655","","","","","","1.075","","","","has coordinates","293744","2024-08-05","17:58:21",""
"1571816","7.0614","0.0003","10.6993","0.0004","18.6749","0.0008","90","","90","","90","","1410.93","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Wang, Han; Xun, Shan-Shan; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric hydrogenation of lactones under base-free conditions.","Chemical science","2024","15","28","11038","11042","10.1039/d4sc01890g","","","1.54178","CuKα","","0.0519","0.0464","","","0.1241","0.1296","","","","","","1.073","","","","has coordinates","293748","2024-08-05","17:59:42",""
"1571817","8.2353","0.0003","9.8484","0.0004","11.7427","0.0005","82.241","0.001","70.296","0.002","66.512","0.001","822.33","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Wang, Han; Xun, Shan-Shan; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric hydrogenation of lactones under base-free conditions.","Chemical science","2024","15","28","11038","11042","10.1039/d4sc01890g","","","1.54178","CuKα","","0.0505","0.0489","","","0.1336","0.1352","","","","","","1.046","","","","has coordinates","293748","2024-08-05","17:59:42",""
"1571886","9.0877","0.0006","10.7172","0.0012","14.3707","0.0011","90","","90","","90","","1399.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O -","- C15 H15 Br O -","- C60 H60 Br4 O4 -","4","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","0.71073","MoKα","","0.1258","0.0565","","","0.1135","0.142","","","","","","1.016","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571887","6.6478","0.0003","10.5086","0.0005","26.9042","0.0015","90","","90","","90","","1879.5","0.16","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","0.71073","MoKα","","0.08","0.0556","","","0.1219","0.1392","","","","","","1.065","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571888","6.5199","0.0003","8.9739","0.0005","19.7834","0.001","90","","96.52","0.005","90","","1150.02","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N3 O2 -","- C25 H35 N3 O2 -","- C50 H70 N6 O4 -","2","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","0.71073","MoKα","","0.0748","0.0498","","","0.1328","0.1471","","","","","","1.141","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571889","12.4747","0.0004","6.5828","0.0001","15.4889","0.0004","90","","110.054","0.003","90","","1194.81","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H28 O4 -","- C29 H28 O4 -","- C58 H56 O8 -","2","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","1.54184","CuKα","","0.0387","0.0364","","","0.0964","0.0999","","","","","","1.039","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571890","11.1934","0.0005","12.5189","0.0006","14.5833","0.0006","98.996","0.002","94.719","0.002","103.136","0.002","1950.79","0.15","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H37 Cl2 N5 O Zn -","- C48 H37 Cl2 N5 O Zn -","- C96 H74 Cl4 N10 O2 Zn2 -","2","1","","Trouvé, Jonathan; Delahaye, Vanessa; Tomasini, Michele; Rajeshwaran, Purushothaman; Roisnel, Thierry; Poater, Albert; Gramage-Doria, Rafael","Repurposing a supramolecular iridium catalyst <i>via</i> secondary Zn⋯O[double bond, length as m-dash]C weak interactions between the ligand and substrate leads to <i>ortho</i>-selective C(sp<sup>2</sup>)-H borylation of benzamides with unusual kinetics.","Chemical science","2024","15","30","11794","11806","10.1039/d4sc01515k","","x-ray","0.71073","MoKα","","0.0462","0.0371","","","0.0915","0.0961","","","","","","1.05","","","","has coordinates","293768","2024-08-05","18:08:06",""
"1571891","6.17394","0.00011","8.78352","0.00019","24.0129","0.0005","90","","91.6839","0.0018","90","","1301.63","0.05","140","0.1","140","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","1","","Nicolai, Stefano; Waser, Jérôme","Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.","Chemical science","2024","15","28","10823","10829","10.1039/d4sc02767a","","x-ray","1.54184","CuKα","","0.0448","0.0405","","","0.1068","0.111","","","","","","1.07","","","","has coordinates","293749","2024-08-05","17:59:53",""
"1571892","17.7615","0.0002","6.40467","0.00008","13.86477","0.00015","90","","95.9318","0.0011","90","","1568.76","0.03","140","0.1","140","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Nicolai, Stefano; Waser, Jérôme","Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.","Chemical science","2024","15","28","10823","10829","10.1039/d4sc02767a","","x-ray","1.54184","CuKα","","0.0442","0.0405","","","0.106","0.1104","","","","","","1.042","","","","has coordinates","293749","2024-08-05","17:59:53",""
"1571893","8.11476","0.00018","10.472","0.0002","10.7595","0.0004","67.728","0.003","74.021","0.002","82.9324","0.0019","813.23","0.04","140","0.1","140","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C42 H44 O4 -","2","1","","Nicolai, Stefano; Waser, Jérôme","Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.","Chemical science","2024","15","28","10823","10829","10.1039/d4sc02767a","","x-ray","1.54184","CuKα","","0.0455","0.0409","","","0.1107","0.114","","","","","","1.07","","","","has coordinates","293749","2024-08-05","17:59:53",""
"1571894","13.6691","0.0002","14.5906","0.0002","17.0239","0.0002","67.9371","0.0013","68.7098","0.0013","89.8358","0.0011","2896.62","0.08","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C98 H83 N O28 P4 S12 Si W12 -","- C98 H83 N O28 P4 S12 Si W12 -","- C98 H83 N O28 P4 S12 Si W12 -","1","1","","Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of polyoxothiometalates through site-selective post-editing sulfurization of polyoxometalates.","Chemical science","2024","15","29","11267","11271","10.1039/d4sc02912g","","x-ray","0.4142","synchrotron","","0.0248","0.0245","","","0.0684","0.0686","","","","","","1.04","","","","has coordinates,has disorder","293728","2024-08-05","17:52:27",""
"1571895","8.2197","0.0002","9.7011","0.0002","11.5746","0.0002","113.735","0.002","92.388","0.002","99.774","0.002","826.42","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O5 S2 -","- C16 H18 N2 O5 S2 -","- C32 H36 N4 O10 S4 -","2","1","","Hua, Yong; Zou, Zhi; Prescimone, Alessandro; Ward, Thomas R.; Mayor, Marcel; Köhler, Valentin","NSPs: chromogenic linkers for fast, selective, and irreversible cysteine modification.","Chemical science","2024","15","28","10997","11004","10.1039/d4sc01710b","","x-ray","1.54186","CuKα","","0.0381","0.0379","","","0.1009","0.101","","","","","","1.085","","","","has coordinates","293745","2024-08-05","17:58:37",""
"1571896","8.878","0.005","11.878","0.008","15.7","0.008","69.02","0.03","75.24","0.03","75.18","0.03","1469.8","1.5","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H98 Fe2 I2 P4 -","- C54 H98 Fe2 I2 P4 -","- C54 H98 Fe2 I2 P4 -","1","0.5","","Zurakowski, Joseph A.; Durfy, Connor S.; Stocek, Noah B.; Fanchini, Giovanni; Drover, Marcus W.","Oxidatively-induced C(sp<sup>3</sup>)-C(sp<sup>3</sup>) bond formation at a tucked-in iron(iii) complex.","Chemical science","2024","15","27","10359","10365","10.1039/d4sc03292f","","","0.71073","MoKα","","0.0524","0.0432","","","0.1106","0.1192","","","","","","1.119","","","","has coordinates","293753","2024-08-05","18:01:12",""
"1571897","12.9873","0.0005","18.8387","0.0007","17.5741","0.0008","90","","90","","90","","4299.7","0.3","269","0.6","269","0.6","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H11 I6 N2 Pb2 -","- C7 H11 I6 N2 Pb2 -","- C56 H88 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0361","0.0286","","","0.0593","0.0612","","","","","","0.974","","","","has coordinates","293732","2024-08-05","17:53:58",""
"1571898","12.9493","0.0003","18.7108","0.0005","17.6439","0.0005","90","","90","","90","","4274.97","0.19","239.99","0.1","239.99","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0578","0.0551","","","0.1602","0.1639","","","","","","1.064","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571899","12.9621","0.0007","18.7875","0.0013","17.6666","0.0009","90","","90","","90","","4302.3","0.4","298.53","0.1","298.53","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H11 I6 N2 Pb2 -","- C7 H11 I6 N2 Pb2 -","- C56 H88 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0791","0.0424","","","0.0952","0.1058","","","","","","1.075","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571900","12.9279","0.0004","18.7521","0.0006","17.66","0.0005","90","","90","","90","","4281.2","0.2","239.97","0.1","239.97","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H8 I6 N2 Pb2 -","- C7 H8 I6 N2 Pb2 -","- C56 H64 I48 N16 Pb16 -","8","0.5","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0667","0.0561","","","0.152","0.1619","","","","","","1.036","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571901","12.9972","0.0003","18.8397","0.0007","17.5687","0.0006","90","","90","","90","","4301.9","0.2","267.4","0.4","267.4","0.4","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0856","0.0681","","","0.1653","0.1807","","","","","","1.005","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571902","9.4743","0.0007","17.7301","0.0012","6.5088","0.0004","90","","90","","90","","1093.35","0.13","425","0.1","425","0.1","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C14 H24 I12 N4 Pb4 -","2","0.25","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0566","0.0414","","","0.1052","0.1096","","","","","","1.107","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571903","9.4786","0.0005","17.7233","0.001","6.5033","0.0004","90","","90","","90","","1092.5","0.11","425","0.3","425","0.3","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C14 H24 I12 N4 Pb4 -","2","0.25","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0557","0.0327","","","0.0723","0.077","","","","","","1.059","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571904","12.9335","0.0006","18.7349","0.0008","17.6358","0.0008","90","","90","","90","","4273.3","0.3","245.03","0.1","245.03","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.09","0.0684","","","0.1748","0.1865","","","","","","1.021","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571905","12.9548","0.0006","18.8648","0.0009","17.6101","0.0007","90","","90","","90","","4303.7","0.3","299.13","0.1","299.13","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","0.5","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0762","0.0517","","","0.1058","0.1151","","","","","","1.054","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571906","12.9629","0.0003","18.7955","0.0005","17.6714","0.0005","90","","90","","90","","4305.53","0.19","297.98","0.1","297.98","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0767","0.0488","","","0.1343","0.1492","","","","","","0.991","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571908","11.8687","0.0017","27.971","0.004","21.374","0.003","90","","95.254","0.005","90","","7065.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H78 Al N6 O3 P -","- C64 H78 Al N6 O3 P -","- C256 H312 Al4 N24 O12 P4 -","4","1","","Kohl, Senta J.; Sigmund, Lukas M.; Schmitt, Manuel; Greb, Lutz","Nitrogen monoxide and calix[4]pyrrolato aluminate: structural constraint enabled NO dimerization.","Chemical science","2024","15","28","10803","10809","10.1039/d4sc02378a","","x-ray","0.71073","MoKα","","0.0953","0.0699","","","0.1782","0.1949","","","","","","1.04","","","","has coordinates","293743","2024-08-05","17:58:06",""
"1571909","12.7974","0.0008","13.9223","0.0008","17.5632","0.001","72.594","0.002","80.317","0.002","63.381","0.002","2667.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H57 Al N5 O P -","- C58 H57 Al N5 O P -","- C116 H114 Al2 N10 O2 P2 -","2","1","","Kohl, Senta J.; Sigmund, Lukas M.; Schmitt, Manuel; Greb, Lutz","Nitrogen monoxide and calix[4]pyrrolato aluminate: structural constraint enabled NO dimerization.","Chemical science","2024","15","28","10803","10809","10.1039/d4sc02378a","","x-ray","0.71073","MoKα","","0.056","0.0424","","","0.1122","0.1225","","","","","","1.029","","","","has coordinates","293743","2024-08-05","17:58:06",""
"1571910","12.1087","0.0005","16.7894","0.0006","23.7857","0.0007","87.462","0.003","85.545","0.004","73.63","0.004","4624.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Al F15 N4 P4 W -","- C38 H48 Al F15 N4 P4 W -","- C152 H192 Al4 F60 N16 P16 W4 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0753","0.0851","","0.1837","0.1977","0.1837","","","","","","1.0231","","","","has coordinates","293726","2024-08-05","17:52:01",""
"1571911","14.6308","0.0001","15.5072","0.0001","15.9055","0.0002","77.247","0.001","69.209","0.001","85.109","0.001","3290.37","0.06","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H48 Al F15 Mo N4 P4 -","- C70 H48 Al F15 Mo N4 P4 -","- C140 H96 Al2 F30 Mo2 N8 P8 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0398","0.0379","","0.1108","0.1091","0.1108","","","","","","0.9765","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571912","12.0871","0.0004","16.7971","0.0003","23.8312","0.0004","87.584","0.002","85.376","0.003","73.657","0.002","4626.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Al F15 Mo N4 P4 -","- C38 H48 Al F15 Mo N4 P4 -","- C152 H192 Al4 F60 Mo4 N16 P16 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0928","0.0657","","","0.1659","0.1792","","","","","","1.055","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571913","13.6036","0.0003","14.8872","0.0002","22.4046","0.0004","85.059","0.0013","73.4254","0.0018","80.3608","0.0015","4283.9","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H48 Al F15 N4 P4 W -","- C70 H48 Al F15 N4 P4 W -","- C140 H96 Al2 F30 N8 P8 W2 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0692","0.0613","","0.1775","0.168","0.1775","","","","","","0.9589","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571914","20.2615","0.0002","25.2623","0.0002","24.4599","0.0002","90","","98.884","0.001","90","","12369.7","0.19","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Al2 Cr F30 N4 P4 -","- C54 H38 Al2 Cr F30 N4 P4 -","- C432 H304 Al16 Cr8 F240 N32 P32 -","8","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0925","0.0824","","0.2323","0.2248","0.2323","","","","","","1.0008","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571915","12.2011","0.0001","24.511","0.0003","25.0556","0.0002","92.068","0.001","99.111","0.001","92.397","0.001","7385.21","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H60 Al2 F30 Mo N4 P4 -","- C68 H60 Al2 F30 Mo N4 P4 -","- C272 H240 Al8 F120 Mo4 N16 P16 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0789","0.0699","","0.1801","0.1731","0.1801","","","","","","1.0137","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571916","10.01668","0.00016","12.25253","0.00019","17.2703","0.0003","79.313","0.0013","88.9694","0.0013","70.6686","0.0014","1963.23","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Al Cr F15 N4 P4 -","- C30 H32 Al Cr F15 N4 P4 -","- C60 H64 Al2 Cr2 F30 N8 P8 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.04","0.0377","","0.1141","0.1118","0.1141","","","","","","0.984","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571917","12.2122","0.0002","24.4664","0.0003","25.0551","0.0003","92.078","0.001","99.059","0.002","92.541","0.001","7378.43","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H60 Al2 F30 N4 P4 W -","- C68 H60 Al2 F30 N4 P4 W -","- C272 H240 Al8 F120 N16 P16 W4 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0634","0.06","","0.1494","0.1472","0.1494","","","","","","0.9886","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571918","13.9151","0.0001","14.0458","0.0001","20.9884","0.0001","79.92","","80.39","","71.409","0.001","3800.84","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H56 Al2 F30 N4 P4 W -","- C63 H56 Al2 F30 N4 P4 W -","- C126 H112 Al4 F60 N8 P8 W2 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0269","0.0264","","","0.0693","0.0696","","","","","","1.065","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571919","13.44705","0.00013","13.61546","0.00015","24.0453","0.0002","75.1197","0.0009","82.064","0.0009","76.0014","0.0009","4114.84","0.07","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H52 Al2 F30 N4 P4 W -","- C75 H52 Al2 F30 N4 P4 W -","- C150 H104 Al4 F60 N8 P8 W2 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0479","0.0457","","0.1211","0.1188","0.1211","","","","","","0.9973","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571920","14.901","0.0004","14.901","0.0004","64.976","0.003","90","","90","","90","","14427.3","0.9","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C93 H61 Cl3 N8 O2 -","- C93 H61 Cl3 N8 O2 -","- C744 H488 Cl24 N64 O16 -","8","1","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","x-ray","1.54178","CuKα","","0.1378","0.1089","","","0.2827","0.306","","","","","","1.031","","","","has coordinates","293735","2024-08-05","17:55:03",""
"1571921","12.9051","0.0005","10.5743","0.0005","25.9985","0.0013","90","","95.55","0.002","90","","3531.2","0.3","102","","102","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C47 H34 Cl2 N4 O -","- C47 H34 Cl2 N4 O -","- C188 H136 Cl8 N16 O4 -","4","2","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","","0.71073","MoKα","","0.1055","0.063","","","0.1392","0.1632","","","","","","1.02","","","","has coordinates","293735","2024-08-05","17:55:03",""
"1571922","13.9675","0.001","15.5987","0.0011","17.3739","0.0013","101.977","0.003","92.5","0.003","105.115","0.003","3555.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H66 Cl2 N8 Se2 -","- C93 H66 Cl2 N8 Se2 -","- C186 H132 Cl4 N16 Se4 -","2","1","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","x-ray","1.54178","CuKα","","0.0418","0.039","","","0.0945","0.0962","","","","","","1.071","","","","has coordinates,has disorder","293735","2024-08-05","17:55:03",""
"1571923","30.4838","0.0004","30.4838","0.0004","17.4815","0.0003","90","","90","","120","","14068.5","0.4","301.2","","301.2","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C26 H32 Cl In N6 O12 -","- C26 H32 Cl In N6 O12 -","- C468 H576 Cl18 In18 N108 O216 -","18","0.5","","Simms, Megan E.; Li, Zhiyao; Sibley, Megan M.; Ivanov, Alexander S.; Lara, Caroline M.; Johnstone, Timothy C.; Kertesz, Vilmos; Fears, Amanda; White, Frankie D.; Thorek, Daniel L. J.; Thiele, Nikki A.","PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.","Chemical science","2024","15","29","11279","11286","10.1039/d3sc06854d","","","0.71073","MoKα","","0.0315","0.0251","","","0.0617","0.0655","","","","","","1.039","","","","has coordinates,has disorder","293734","2024-08-05","17:54:36",""
"1571924","13.012","0.005","14.323","0.005","15.919","0.006","90","","99.63","0.02","90","","2925","1.9","300.8","","300.8","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cu N6 O12 -","- C26 H40 Cu N6 O12 -","- C104 H160 Cu4 N24 O48 -","4","0.5","","Simms, Megan E.; Li, Zhiyao; Sibley, Megan M.; Ivanov, Alexander S.; Lara, Caroline M.; Johnstone, Timothy C.; Kertesz, Vilmos; Fears, Amanda; White, Frankie D.; Thorek, Daniel L. J.; Thiele, Nikki A.","PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.","Chemical science","2024","15","29","11279","11286","10.1039/d3sc06854d","","","0.71073","MoKα","","0.0461","0.0366","","","0.0928","0.0985","","","","","","1.031","","","","has coordinates","293734","2024-08-05","17:54:38",""
"1571925","37.2521","0.0006","11.0181","0.0002","14.5531","0.0002","90","","90.106","0.001","90","","5973.27","0.17","300.4","","300.4","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 N6 O11 Sc -","- C26 H37 N6 O11 Sc -","- C208 H296 N48 O88 Sc8 -","8","1","","Simms, Megan E.; Li, Zhiyao; Sibley, Megan M.; Ivanov, Alexander S.; Lara, Caroline M.; Johnstone, Timothy C.; Kertesz, Vilmos; Fears, Amanda; White, Frankie D.; Thorek, Daniel L. J.; Thiele, Nikki A.","PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.","Chemical science","2024","15","29","11279","11286","10.1039/d3sc06854d","","","0.71073","MoKα","","0.0529","0.0444","","","0.1172","0.1234","","","","","","1.039","","","","has coordinates,has disorder","293734","2024-08-05","17:54:38",""
"1571926","7.1427","0.0003","9.1744","0.0004","9.7896","0.0004","97.571","0.003","107.127","0.004","95.412","0.004","601.69","0.05","100.01","0.11","100.01","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 F3 O3 -","- C14 H11 F3 O3 -","- C28 H22 F6 O6 -","2","1","","Biswas, Soumen; Empel, Claire; Sanchez-Palestino, Luis Mario; Arman, Hadi; Koenigs, Rene M.; Doyle, Michael P.","Denitrogenative dismantling of heteroaromatics by nucleophilic substitution reactions with diazomethyl compounds.","Chemical science","2024","15","28","11065","11071","10.1039/d4sc01578a","","x-ray","1.54184","CuKα","","0.0414","0.0365","","","0.0994","0.1034","","","","","","1.056","","","","has coordinates","293750","2024-08-05","18:00:04",""
"1571927","10.4348","0.0002","9.9373","0.0002","18.8362","0.0003","90","","99.256","0.002","90","","1927.76","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N5 O4 -","- C20 H17 N5 O4 -","- C80 H68 N20 O16 -","4","1","","Biswas, Soumen; Empel, Claire; Sanchez-Palestino, Luis Mario; Arman, Hadi; Koenigs, Rene M.; Doyle, Michael P.","Denitrogenative dismantling of heteroaromatics by nucleophilic substitution reactions with diazomethyl compounds.","Chemical science","2024","15","28","11065","11071","10.1039/d4sc01578a","","x-ray","1.54184","CuKα","","0.0534","0.0464","","","0.1182","0.1231","","","","","","1.025","","","","has coordinates,has disorder","293750","2024-08-05","18:00:05",""
"1571928","21.3965","0.0002","15.0939","0.0002","24.2325","0.0003","90","","92.625","0.001","90","","7817.83","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.13 H106.82 Hf Mo10 N5 O36.78 -","- C45.128 H106.82 Hf Mo10 N5 O36.782 -","- C180.512 H427.28 Hf4 Mo40 N20 O147.128 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.71073","MoKα","","0.0498","0.0394","","","0.0779","0.0812","","","","","","1.025","","","","has coordinates,has disorder","293747","2024-08-05","17:59:28",""
"1571929","12.8161","0.0002","15.4649","0.0002","19.9194","0.0003","87.176","0.001","84.075","0.001","73.714","0.001","3768.5","0.1","100.01","0.16","100.01","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C42 H99 Mo10 N5 O36 Th -","- C42 H99 Mo10 N5 O36 Th -","- C84 H198 Mo20 N10 O72 Th2 -","2","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.56087","AgKα","","0.0372","0.0252","","","0.0507","0.053","","","","","","1.04","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571930","16.31","0.0001","21.2206","0.0001","18.9017","0.0001","90","","103.313","0.001","90","","6366.22","0.07","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26.61 H65.22 Cl5.22 Mo10 N3 O36 U -","- C26.609 H65.218 Cl5.218 Mo10 N3 O36 U -","- C106.436 H260.872 Cl20.872 Mo40 N12 O144 U4 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","1.54184","CuKα","","0.0404","0.0389","","","0.1028","0.1038","","","","","","1.093","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571931","21.7821","0.0005","15.0682","0.0004","24.1223","0.0006","90","","92.925","0.002","90","","7907","0.3","100.2","0.4","100.2","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.75 H108 Mo10 N5 O36 U -","- C42 H99 Mo10 N5 O36 U -","- C168 H396 Mo40 N20 O144 U4 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.56087","AgKα","","0.0756","0.045","","","0.0972","0.1141","","","","","","1.061","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571932","21.4037","0.0002","15.094","0.0002","24.2093","0.0003","90","","92.655","0.001","90","","7812.84","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.1 H106.75 Mo10 N5 O36.78 Zr -","- C45.104 H106.76 Mo10 N5 O36.776 Zr -","- C180.416 H427.04 Mo40 N20 O147.104 Zr4 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.71073","MoKα","","0.0553","0.0445","","","0.0891","0.0929","","","","","","1.046","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571935","7.1686","0.0003","10.0266","0.0004","22.71","0.0009","90","","90","","90","","1632.32","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O2 -","- C18 H29 N O2 -","- C72 H116 N4 O8 -","4","1","","Gary, Samuel; Woolley, Jack; Goia, Sofia; Bloom, Steven","Unlocking flavin photoacid catalysis through electrophotochemistry.","Chemical science","2024","15","29","11444","11454","10.1039/d4sc03054k","","","1.54178","CuKα","","0.05","0.0263","","","0.076","0.078","","","","","","1.065","","","","has coordinates","293725","2024-08-05","17:51:25",""
"1571936","15.304","0.002","16.518","0.003","12.812","0.002","90","","104.845","0.01","90","","3130.7","0.9","193","2","193","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C68 H66 F4 N8 O4 S3 -","- C68 H66 F4 N8 O4 S3 -","- C136 H132 F8 N16 O8 S6 -","2","1","","Chen, Yuzhong; Wu, Zeng; Chen, Zekun; Zhang, Shuixin; Li, Wenhao; Zhao, Yan; Wang, Yang; Liu, Yunqi","Molecular ""backbone surgery"" of electron-deficient heteroarenes based on dithienopyrrolobenzothiadiazole: conformation-dependent crystal structures and charge transport properties.","Chemical science","2024","15","30","11761","11774","10.1039/d4sc02794a","","","1.34139","GaKα","","0.3318","0.1793","","","0.3712","0.4396","","","","","","1.176","","","","has coordinates","293765","2024-08-05","18:07:19",""
"1571937","13.8827","0.0007","16.3666","0.0009","18.0937","0.0011","103.449","0.005","104.665","0.004","107.099","0.004","3585.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H76 F4 N8 O4 S4 -","- C75 H76 F4 N8 O4 S4 -","- C150 H152 F8 N16 O8 S8 -","2","1","","Chen, Yuzhong; Wu, Zeng; Chen, Zekun; Zhang, Shuixin; Li, Wenhao; Zhao, Yan; Wang, Yang; Liu, Yunqi","Molecular ""backbone surgery"" of electron-deficient heteroarenes based on dithienopyrrolobenzothiadiazole: conformation-dependent crystal structures and charge transport properties.","Chemical science","2024","15","30","11761","11774","10.1039/d4sc02794a","","x-ray","1.54178","CuKα","","0.1718","0.1082","","","0.2528","0.2834","","","","","","1.046","","","","has coordinates","293765","2024-08-05","18:07:20",""
"1571938","10.9852","0.001","14.5835","0.0012","26.719","0.003","98.535","0.002","98.131","0.002","105.597","0.002","4002.6","0.7","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H86 F4 N8 O4 S5 -","- C82 H86 F4 N8 O4 S5 -","- C164 H172 F8 N16 O8 S10 -","2","1","","Chen, Yuzhong; Wu, Zeng; Chen, Zekun; Zhang, Shuixin; Li, Wenhao; Zhao, Yan; Wang, Yang; Liu, Yunqi","Molecular ""backbone surgery"" of electron-deficient heteroarenes based on dithienopyrrolobenzothiadiazole: conformation-dependent crystal structures and charge transport properties.","Chemical science","2024","15","30","11761","11774","10.1039/d4sc02794a","","x-ray","0.68878","synchrotronradiation","","0.1182","0.0903","","","0.2466","0.2774","","","","","","1.058","","","","has coordinates,has disorder","293765","2024-08-05","18:07:20",""
"1571942","12.0335","0.0002","6.213","0.0001","16.2341","0.0003","90","","109.152","0.001","90","","1146.55","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C62 H48 N4 O2 -","2","1","","Li, Yi; Ning, Lichao; Tang, Qi; Lan, Kexin; Yang, Bingqian; Lin, Qianchi; Feng, Xiaoming; Liu, Xiaohua","Asymmetric catalytic [1,3]- or [3,3]-sigmatropic rearrangement of 3-allyloxy-4<i>H</i>-chromenones and their analogues.","Chemical science","2024","15","28","11005","11012","10.1039/d4sc02201g","","","1.54178","CuKα","","0.0339","0.0316","","","0.0772","0.079","","","","","","1.07","","","","has coordinates","293742","2024-08-05","17:57:41",""
"1571943","11.5253","0.0003","11.264","0.0003","33.0222","0.001","90","","92.545","0.002","90","","4282.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C216 H208 O24 -","8","2","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0916","0.0707","","","0.1523","0.1651","","","","","","1.089","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571944","19.1851","0.0006","7.8229","0.0002","31.2872","0.0011","90","","90.51","0.003","90","","4695.5","0.3","120","2","120","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H30 O4 -","- C28.997 H29.995 O4 -","- C231.976 H239.96 O32 -","8","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0497","0.0456","","","0.1214","0.1261","","","","","","1.04","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571945","9.0694","0.0003","10.532","0.0003","17.2799","0.0006","90","","100.156","0.003","90","","1624.7","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0307","0.0294","","","0.0777","0.0785","","","","","","1.104","","","","has coordinates","293772","2024-08-05","18:11:12",""
"1571946","17.6068","0.0005","7.4294","0.0002","12.3043","0.0004","90","","108.692","0.003","90","","1524.61","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0292","0.0291","","","0.075","0.0751","","","","","","1.188","","","","has coordinates","293772","2024-08-05","18:11:12",""
"1571947","31.4184","0.0009","4.96092","0.00016","21.7474","0.0007","90","","101.804","0.003","90","","3317.96","0.18","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 B2 O4 -","- C18 H18 B2 O4 -","- C144 H144 B16 O32 -","8","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0875","0.0835","","","0.2607","0.263","","","","","","1.151","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571948","11.1367","0.0005","12.0896","0.0006","14.1443","0.0007","66.361","0.005","82.591","0.004","75.387","0.004","1687.31","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","2","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.1009","0.1022","","","","","","1.075","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571949","8.0674","0.0003","10.0413","0.0005","11.4509","0.0005","90.265","0.004","105.787","0.004","106.88","0.004","850.63","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C38 H38 Br2 O6 -","2","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0242","0.0234","","","0.0612","0.0617","","","","","","1.06","","","","has coordinates","293772","2024-08-05","18:11:12",""
"1571950","18.6576","0.0009","11.7041","0.0005","10.0865","0.0003","90","","102.695","0.004","90","","2148.75","0.16","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0934","0.0584","","","0.1526","0.2029","","","","","","1.133","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571951","18.025","0.004","7.2972","0.0018","22.077","0.007","90","","112.088","0.006","90","","2690.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu F10 P -","- C28 H20 Cu F10 P -","- C112 H80 Cu4 F40 P4 -","4","0.5","","Dong, Tao; Shen, Qilong; Tsui, Gavin Chit","Synthesis and application of well-defined [Ph<sub>4</sub>P]<sup>+</sup>[Cu(CF<sub>2</sub>CF<sub>3</sub>)<sub>2</sub>]<sup>-</sup> complex as a versatile pentafluoroethylating reagent.","Chemical science","2024","15","29","11550","11556","10.1039/d4sc02075h","","","0.71073","MoKα","","0.1435","0.0898","","","0.2473","0.2839","","","","","","1.069","","","","has coordinates,has disorder","293738","2024-08-05","17:56:28",""
"1571955","9.1681","0.0002","10.7295","0.0004","13.7336","0.0005","88.378","0.001","77.454","0.001","74.948","0.001","1272.89","0.07","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Bu4N,(pzdt)AuCl2","tetrabutylammonium, (pyrazinedithiolate)dichloroaurate","","- C20 H38 Au Cl2 N3 S2 -","- C20 H38 Au Cl2 N3 S2 -","- C40 H76 Au2 Cl4 N6 S4 -","2","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0234","0.022","","","0.0559","0.0568","","","","","","1.018","","","","has coordinates","293731","2024-08-05","17:53:26",""
"1571956","7.5222","0.0006","7.5384","0.0006","13.3073","0.0013","94.405","0.003","97.176","0.003","94.089","0.003","743.97","0.11","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[Au(bdt)(Et-thiazdt)]","(Benzene-1,2-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)gold","","- C11 H9 Au N S6 -","- C11 H9 Au N S6 -","- C22 H18 Au2 N2 S12 -","2","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0198","0.0187","","","0.046","0.0467","","","","","","0.91","","","","has coordinates","293731","2024-08-05","17:53:28",""
"1571957","9.5242","0.0011","22.193","0.003","16.2006","0.0017","90","","105.821","0.004","90","","3294.6","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","(Bu4N)[Au(bdt)(Et-thiazdt)]","Tetrabutylammonium,(benzene-1,2-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)aurate","","- C27 H45 Au N2 S6 -","- C27 H45 Au N2 S6 -","- C108 H180 Au4 N8 S24 -","4","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0639","0.0451","","","0.1311","0.1463","","","","","","1.005","","","","has coordinates","293731","2024-08-05","17:53:28",""
"1571958","16.4609","0.0017","19.7757","0.0018","18.6188","0.0019","90","","90","","90","","6060.9","1","150","2","150","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","(Bu4N)[Au(bdt)2]","Tetrabutylammonium,bis(benzene-1,2-dithiolate)aurate","","- C28 H44 Au N S4 -","- C28 H44 Au N S4 -","- C224 H352 Au8 N8 S32 -","8","2","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0187","0.0162","","","0.0388","0.0402","","","","","","0.872","","","","has coordinates","293731","2024-08-05","17:53:28",""
"1571959","20.4897","0.0019","12.2891","0.0013","26.698","0.002","90","","107.327","0.004","90","","6417.5","1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","(Bu4N)[Au(pzdt)(Et-thiazdt)]","Tetrabutylammonium,(pyrazine-2,3-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)aurate","","- C25 H43 Au N4 S6 -","- C25 H43 Au N4 S6 -","- C200 H344 Au8 N32 S48 -","8","2","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0318","0.0238","","","0.0494","0.0519","","","","","","1.05","","","","has coordinates,has disorder","293731","2024-08-05","17:53:28",""
"1571960","22.4426","0.0012","20.9039","0.001","30.0536","0.001","90","","96.666","0.004","90","","14004","1.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1AFC-An","","- C133 H115 N6 O12 -","- C133 H115 N6 O12 -","- C532 H460 N24 O48 -","4","1","","Williams, Malik L.; Coleman, Adam F.; Peinkofer, Kathryn R.; Young, Ryan M.; Wasielewski, Michael R.","Structure-enabled long-lived charge separation in single crystals of an asymmetric donor-acceptor perylenediimide cyclophane.","Chemical science","2024","15","29","11472","11479","10.1039/d4sc03359k","","x-ray","1.54184","CuKα","","0.1341","0.1055","","","0.3262","0.3502","","","","","","1.302","","","","has coordinates,has disorder","293739","2024-08-05","17:56:48",""
"1571961","15.0671","0.0003","13.6045","0.0003","46.194","0.0009","90","","90.107","0.002","90","","9468.8","0.3","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C112 H124 N8 -","- C112 H124 N8 -","- C448 H496 N32 -","4","0.5","","Zhao, Lingli; Wu, Zeng; Qin, Hanwen; Bin, Guangxiong; Gao, Junxiang; Zeng, Weixuan; Zhao, Yan; Chen, Huajie","Ambipolar conjugated ladder polymers by room-temperature Knoevenagel polymerization.","Chemical science","2024","15","29","11594","11603","10.1039/d4sc03222e","","x-ray","1.54184","CuKα","","0.1523","0.1186","","","0.3478","0.3787","","","","","","1.448","","","","has coordinates,has disorder","293741","2024-08-05","17:57:31",""
"1571962","7.0682","0.0006","8.2714","0.0007","18.0737","0.0016","93.27","0.004","99.19","0.004","90.759","0.004","1041.13","0.16","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O6 S -","- C21 H25 N O6 S -","- C42 H50 N2 O12 S2 -","2","1","","Lai, Jingxiong; Cai, Wei; Huang, You","Enantioselective phosphine-catalyzed [6 + 1] annulations of α-allyl allenoates with 1,1-bisnucleophiles.","Chemical science","2024","15","29","11515","11520","10.1039/d4sc02487g","","x-ray","1.34139","GaKα","","0.0709","0.0627","","","0.1597","0.1655","","","","","","1.08","","","","has coordinates","293727","2024-08-05","17:52:13",""
"1571965","9.0199","0.0004","9.6664","0.0005","12.1317","0.0005","80.233","0.004","78.91","0.004","79.201","0.004","1009.79","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","CXQ-220602-2","","- C21 H18 Br F7 N2 -","- C21 H18 Br F7 N2 -","- C42 H36 Br2 F14 N4 -","2","1","","Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang","Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.","Chemical science","2024","15","30","12026","12035","10.1039/d4sc03230f","","x-ray","1.54184","CuKα","","0.0271","0.026","","","0.0653","0.0662","","","","","","1.045","","","","has coordinates","293766","2024-08-05","18:07:37",""
"1571966","10.8721","0.0003","42.5797","0.0009","10.9151","0.0003","90","","118.699","0.004","90","","4432.2","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 F7 N2 O -","- C25 H15 F7 N2 O -","- C200 H120 F56 N16 O8 -","8","2","","Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang","Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.","Chemical science","2024","15","30","12026","12035","10.1039/d4sc03230f","","x-ray","1.54184","CuKα","","0.1053","0.0938","","","0.2539","0.2686","","","","","","1.08","","","","has coordinates,has disorder","293766","2024-08-05","18:07:38",""
"1571967","18.8892","0.0005","5.716","0.0001","27.6517","0.0007","90","","107.953","0.003","90","","2840.2","0.12","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C29 H25 F7 N2 O4 S2 -","- C29 H25 F7 N2 O4 S2 -","- C116 H100 F28 N8 O16 S8 -","4","2","","Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang","Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.","Chemical science","2024","15","30","12026","12035","10.1039/d4sc03230f","","x-ray","1.54184","CuKα","","0.0679","0.0538","","","0.1347","0.1506","","","","","","1.037","","","","has coordinates","293766","2024-08-05","18:07:38",""
"1571968","10.0809","0.0006","20.01","0.0011","25.3574","0.0012","101.231","0.005","99.701","0.005","104.279","0.005","4734.3","0.5","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C107 H90 Fe6 O16 P6 -","- C107 H90 Fe6 O16 P6 -","- C214 H180 Fe12 O32 P12 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.1148","0.0842","","","0.2349","0.2546","","","","","","1.109","","","","has coordinates,has disorder","293740","2024-08-05","17:57:14",""
"1571969","12.9515","0.0003","13.3229","0.0003","19.7999","0.0003","107.235","0.002","91.498","0.002","117.671","0.002","2835.23","0.13","100.02","0.12","100.02","0.12","","","","","","","","6","P -1","-P 1","2","","9","","- C61.42 H48.26 Fe4 N0.42 O12.58 P3 -","- C61.422 H48.266 Fe4 N0.422 O12.578 P3 -","- C122.844 H96.532 Fe8 N0.844 O25.156 P6 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0432","0.0382","","","0.0912","0.0935","","","","","","1.06","","","","has coordinates,has disorder","293740","2024-08-05","17:57:16",""
"1571970","9.5978","0.0002","11.8597","0.0002","14.5875","0.0003","90","","90.663","0.002","90","","1660.34","0.06","100","0.8","100","0.8","","","","","","","","5","P 1 n 1","P -2yac","7","","Fe5(mu5-C)(CO)14(PPh3)","","- C33 H15 Fe5 O14 P -","- C33 H15 Fe5 O14 P -","- C66 H30 Fe10 O28 P2 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0427","0.041","","","0.1174","0.1226","","","","","","1.137","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571971","12.2212","0.0001","19.7064","0.0001","19.6407","0.0002","90","","98.708","0.001","90","","4675.66","0.07","100","0.4","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10","","- C52.5 H43 Fe3 O7 P3 -","- C52.5 H43 Fe3 O7 P3 -","- C210 H172 Fe12 O28 P12 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","","1.54184","CuKα","","0.0303","0.0286","","","0.0729","0.0738","","","","","","1.075","","","","has coordinates,has disorder","293740","2024-08-05","17:57:16",""
"1571972","16.9478","0.0003","8.9623","0.0001","17.1515","0.0003","90","","115.433","0.002","90","","2352.69","0.08","100","0.13","100.15","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Fe6C(CO)17","","- C36 Fe12 O34 -","- C36 Fe12 O34 -","- C72 Fe24 O68 -","2","0.5","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","","1.54184","CuKα","","0.0416","0.0345","","","0.0867","0.091","","","","","","1.059","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571973","10.2347","0.0003","24.946","0.0006","19.6152","0.0006","90","","104.582","0.003","90","","4846.7","0.2","100.02","0.12","100.02","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H39 Fe4 O10 P3 -","- C52 H39 Fe4 O10 P3 -","- C208 H156 Fe16 O40 P12 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.1209","0.0804","","","0.2005","0.2307","","","","","","1.044","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571974","12.61041","0.00012","15.93666","0.00013","21.466","0.0002","90","","94.554","0.0008","90","","4300.36","0.07","100.15","","100.02","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Fe3.5 N O10.5 P2 -","- C45 H33 Fe3.5 N O10.5 P2 -","- C180 H132 Fe14 N4 O42 P8 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0413","0.0376","","","0.08","0.0815","","","","","","1.099","","","","has coordinates,has disorder","293740","2024-08-05","17:57:16",""
"1571975","9.4782","0.0008","15.6679","0.0007","18.694","0.001","85.773","0.005","76.692","0.007","89.678","0.005","2694","0.3","100","0.6","100","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C56 H39 Fe5 O14 P3 -","- C56 H39 Fe5 O14 P3 -","- C112 H78 Fe10 O28 P6 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0943","0.0693","","","0.1823","0.198","","","","","","1.066","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571976","17.1733","0.0003","12.1213","0.0002","20.6329","0.0003","90","","103.279","0.0016","90","","4180.16","0.12","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[NEt4][Fe5(mu5-C)(CO)13(PPh3)]","","- C40 H36 Fe5 N O13 P -","- C40 H36 Fe5 N O13 P -","- C160 H144 Fe20 N4 O52 P4 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0484","0.0459","","","0.1375","0.1401","","","","","","1.137","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571977","12.7533","0.0003","12.7583","0.0003","13.1803","0.0003","69.875","0.002","64.408","0.002","68.367","0.002","1753.7","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 I4 Mo8 N2 O28 -","- C54 H54 I4 Mo8 N2 O28 -","- C54 H54 I4 Mo8 N2 O28 -","1","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","x-ray","0.71073","MoKα","","0.0417","0.0304","","","0.074","0.078","","","","","","1.04","","","","has coordinates,has disorder","294481","2024-09-05","23:54:46",""
"1571978","15.9198","0.0003","19.5787","0.0004","14.946","0.0003","90","","98.52","0.002","90","","4607.09","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H118 I2 Mo8 N2 O27 -","- C68 H118 I2 Mo8 N2 O27 -","- C136 H236 I4 Mo16 N4 O54 -","2","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","x-ray","0.71073","MoKα","","0.0343","0.0273","","","0.0741","0.0767","","","","","","1.058","","","","has coordinates","294481","2024-09-05","23:54:47",""
"1571979","13.9442","0.0004","14.7482","0.0004","14.7605","0.0004","61.08","0.001","81.734","0.001","65.704","0.001","2415.85","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79.8 H106.2 I4 Mo8 N2.6 O28.6 -","- C79.8 H102 I4 Mo8 N2.6 O28.6 -","- C79.8 H102 I4 Mo8 N2.6 O28.6 -","1","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","","0.71073","MoKα","","0.0296","0.0259","","","0.0636","0.0654","","","","","","1.042","","","","has coordinates,has disorder","294481","2024-09-05","23:54:47",""
"1571980","13.0495","0.0003","14.4726","0.0003","20.8666","0.0005","100.464","0.001","98.6","0.001","115.289","0.001","3387.69","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 I4 Mo8 O28 S2 -","- C52 H52 I4 Mo8 O28 S2 -","- C104 H104 I8 Mo16 O56 S4 -","2","1","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","","0.71073","MoKα","","0.0401","0.0306","","","0.0694","0.072","","","","","","1.065","","","","has coordinates,has disorder","294481","2024-09-05","23:54:47",""
"1571981","15.7278","0.0003","16.3027","0.0003","18.7455","0.0003","90","","110.566","0.001","90","","4500.13","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H108 I2 Mo8 N2 O26 -","- C64 H108 I2 Mo8 N2 O26 -","- C128 H216 I4 Mo16 N4 O52 -","2","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","","0.71073","MoKα","","0.0311","0.0225","","","0.0464","0.0479","","","","","","1.05","","","","has coordinates","294481","2024-09-05","23:54:47",""
"1571982","15.3967","0.0002","23.3887","0.0002","27.0694","0.0003","90.746","0.001","91.737","0.001","91.33","0.001","9739.91","0.19","100.03","0.1","100.03","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C92 H72 Au4 F12 N2 O10 P4 S4 -","- C92 H72 Au4 F12 N2 O10 P4 S4 -","- C368 H288 Au16 F48 N8 O40 P16 S16 -","4","2","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","x-ray","1.54184","CuKα","","0.0994","0.0929","","","0.2487","0.2556","","","","","","1.067","","","","has coordinates","293736","2024-08-05","17:55:51",""
"1571983","29.4994","0.0003","19.4956","0.0002","33.2461","0.0003","90","","100.747","0.001","90","","18784.8","0.3","173","0.1","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C194 H170 Au11 F18 N3 O16 P6 S6 -","- C178 H130 Au11 F18 N3 O12 P6 S6 -","- C712 H520 Au44 F72 N12 O48 P24 S24 -","4","0.5","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","","1.54184","CuKα","","0.0365","0.0342","","","0.0866","0.0885","","","","","","1.028","","","","has coordinates","293736","2024-08-05","17:55:51",""
"1571984","47.3293","0.0007","20.0353","0.0005","41.2327","0.0006","90","","114.081","0.002","90","","35696.4","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C276 H216 Au28 P8 -","- C276 H216 Au28 P8 -","- C1104 H864 Au112 P32 -","4","0.5","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","x-ray","1.54184","CuKα","","0.0753","0.0591","","","0.1678","0.1809","","","","","","1.06","","","","has coordinates","293736","2024-08-05","17:55:51",""
"1571985","16.052","0.0004","18.4672","0.0005","33.1755","0.0008","84.197","0.002","78.827","0.002","76.291","0.002","9357.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C190 H135 Au14 F12 N2 O8 P5 S4 -","- C190 H135 Au14 F12 N2 O8 P5 S4 -","- C380 H270 Au28 F24 N4 O16 P10 S8 -","2","1","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","","1.54184","CuKα","","0.0829","0.0657","","","0.1737","0.1842","","","","","","1.037","","","","has coordinates,has disorder","293736","2024-08-05","17:55:51",""
"1571986","20.0772","0.0002","15.05708","0.00015","30.2204","0.0003","90","","93.6657","0.0009","90","","9117.06","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H133 Mg4 N10 O1.5 -","- C92 H133 Mg4 N10 O1.5 -","- C368 H532 Mg16 N40 O6 -","4","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0614","0.0454","","","0.1173","0.1316","","","","","","1.031","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571987","17.9825","0.0006","12.3081","0.0004","14.6715","0.0004","90","","95.56","0.003","90","","3231.97","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H46 Al N3 O -","- C33 H40 Al N3 O -","- C132 H160 Al4 N12 O4 -","4","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0796","0.0526","","","0.1266","0.1418","","","","","","0.971","","","","has coordinates","293771","2024-08-05","18:10:45",""
"1571988","15.6944","0.00018","30.4384","0.0003","17.51319","0.00016","90","","90","","90","","8366.27","0.15","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C82 H118 Mg4 N12 -","- C82 H118 Mg4 N12 -","- C328 H472 Mg16 N48 -","4","0.5","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0464","0.0371","","","0.0982","0.1056","","","","","","1.043","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571989","9.2215","0.0003","11.1028","0.0004","27.4961","0.0007","80.246","0.003","84.648","0.003","67.366","0.003","2559.57","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H75 Mg2 N5 O3 -","- C52 H75 Mg2 N5 O3 -","- C104 H150 Mg4 N10 O6 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0757","0.0513","","","0.1348","0.1512","","","","","","1.035","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571990","12.2454","0.0003","14.1302","0.0004","20.6959","0.0005","78.593","0.002","85.703","0.002","73.328","0.003","3362.08","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H103 Mg2 N5 O -","- C71 H103 Mg2 N5 O -","- C142 H206 Mg4 N10 O2 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0791","0.0523","","","0.1345","0.1544","","","","","","1.021","","","","has coordinates","293771","2024-08-05","18:10:45",""
"1571991","23.1551","0.0002","13.13534","0.00012","33.9649","0.0004","90","","93.0767","0.0009","90","","10315.5","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H158 Mg4 N10 O6 -","- C104 H158 Mg4 N10 O6 -","- C416 H632 Mg16 N40 O24 -","4","0.5","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0738","0.0597","","","0.1694","0.1843","","","","","","1.029","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571992","21.911","0.003","23.503","0.003","30.979","0.004","104.882","0.004","94.518","0.004","92.303","0.004","15340","4","150","","150","","","","","","","","","8","P -1","-P 1","2","","Ag38-Zn","","- C216 H367 Ag38 N46 O75 Si W9 Zn4 -","- C136 H207 Ag38 N6 O55 Si W9 Zn4 -","- C272 H414 Ag76 N12 O110 Si2 W18 Zn8 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1041","0.0797","","","0.2019","0.2262","","","","","","1.017","","","","has coordinates","294478","2024-09-05","23:53:48",""
"1571993","20.3864","0.0015","21.2135","0.0017","31.864","0.002","96.159","0.002","92.5","0.002","105.258","0.002","13180.5","1.7","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C124 H189 Ag36 Co5 N6 O81 Si2 W20 -","- C112 H169 Ag36 Co5 O80 Si2 W20 -","- C224 H338 Ag72 Co10 O160 Si4 W40 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.0823","0.0671","","","0.1692","0.1809","","","","","","1.063","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571994","21.95","0.02","23.43","0.02","30.98","0.03","105.088","0.014","94.144","0.013","92.363","0.014","15313","2","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C176 H426 Ag38 Co4 N26 O135 Si W9 -","- C136 H206 Ag38 Co4 N6 O55 Si W9 -","- C272 H412 Ag76 Co8 N12 O110 Si2 W18 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1316","0.0997","","","0.2225","0.2444","","","","","","1.018","","","","has coordinates","294478","2024-09-05","23:53:49",""
"1571995","20.495","0.003","23.774","0.003","31.972","0.004","91.397","0.004","95.125","0.004","110.459","0.004","14511","3","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C146 H398 Ag36 N20 Ni5 O168 Si2 W20 -","- C106 H159 Ag36 Ni5 O80 Si2 W20 -","- C212 H318 Ag72 Ni10 O160 Si4 W40 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1135","0.0984","","","0.2608","0.2765","","","","","","1.015","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571996","21.433","0.002","25.176","0.002","27.986","0.002","76.713","0.003","81.315","0.002","83.548","0.003","14481","2","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C204 H309 Ag37 N35 O83 Si2 W20 Zn5 -","- C144 H219 Ag37 N5 O83 Si2 W20 Zn5 -","- C288 H438 Ag74 N10 O166 Si4 W40 Zn10 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1118","0.0862","","","0.1773","0.1937","","","","","","1.04","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571997","24.0994","0.0019","38.699","0.003","39.795","0.003","90","","124.23","0.004","90","","30685","4","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C248 H382 Ag74.65 N10 O174 Si4 W40 Zn10 -","- C236 H360 Ag74.65 N4 O172 Si4 W40 Zn10 -","- C472 H720 Ag149.3 N8 O344 Si8 W80 Zn20 -","2","0.5","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1289","0.1154","","","0.3549","0.3691","","","","","","1.551","","","","has coordinates","294478","2024-09-05","23:53:49",""
"1571998","21.941","0.003","23.391","0.004","30.897","0.005","105.433","0.004","94.447","0.004","91.978","0.004","15214","4","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C256 H407 Ag38 N66 Ni4 O65 Si W9 -","- C136 H207 Ag38 N6 Ni4 O55 Si W9 -","- C272 H414 Ag76 N12 Ni8 O110 Si2 W18 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1237","0.0936","","","0.2318","0.2526","","","","","","1.04","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571999","17.1992","0.0013","29.767","0.003","21.8387","0.0018","90","","90","","90","","11180.7","1.7","150.15","0.1","150.15","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","NPU-1-TPT","","- C66 H45 Mn6 N12 O20 -","- C66 H45 Mn6 N12 O20 -","- C264 H180 Mn24 N48 O80 -","4","0.5","","Cao, Jian-Wei; Zhang, Tao; Chen, Juan; Wang, Jin-Bo; Wang, Yu; Chen, Kai-Jie","Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.","Chemical science","2024","15","30","11928","11936","10.1039/d4sc02550d","","x-ray","1.34139","GaKα","","0.0813","0.0807","","","0.2077","0.2085","","","","","","1.052","","","","has coordinates,has disorder","293777","2024-08-05","18:12:33",""
"1572000","17.1984","0.0007","17.1984","0.0007","18.6767","0.001","90","","90","","120","","4784.2","0.4","198.15","0.1","198.15","0.1","","","","","","","","5","P -6 m 2","P -6 2","187","","NPU-6","","- C108 H69 Mn9 N18 O33 -","- C108 H69 Mn9 N18 O33 -","- C108 H69 Mn9 N18 O33 -","1","0.0833333","","Cao, Jian-Wei; Zhang, Tao; Chen, Juan; Wang, Jin-Bo; Wang, Yu; Chen, Kai-Jie","Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.","Chemical science","2024","15","30","11928","11936","10.1039/d4sc02550d","","","0.71073","MoKα","","0.0349","0.0294","","","0.0709","0.0735","","","","","","0.98","","","","has coordinates,has disorder","293777","2024-08-05","18:12:33",""
"1572001","21.8333","0.0004","21.8629","0.0003","30.2029","0.0006","87.8618","0.0014","77.0258","0.0015","82.1629","0.0014","13917.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C156 H266 N60 O80 Pd8 -","- C156 H202 N44 Pd8 -","- C312 H404 N88 Pd16 -","2","1","","Prajapati, Dharmraj; Clegg, Jack K.; Mukherjee, Partha Sarathi","Formation of a low-symmetry Pd<sub>8</sub> molecular barrel employing a hetero donor tetradentate ligand, and its use in the binding and extraction of C<sub>70</sub>.","Chemical science","2024","15","31","12502","12510","10.1039/d4sc01332h","","x-ray","0.71073","MoKα","","0.1302","0.0979","","","0.2843","0.3153","","","","","","1.037","","","","has coordinates","294483","2024-09-05","23:55:25",""
"1572002","13.3731","0.0008","14.0167","0.0007","17.049","0.0007","90","","103.604","0.005","90","","3106.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pentyl complex","","- C60 H76 B2 F8 N12 O4 Pt -","- C60 H76 B2 F8 N12 O4 Pt -","- C120 H152 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","","0.71073","MoKα","","0.0558","0.0292","","","0.0504","0.0567","","","","","","1.004","","","","has coordinates","293730","2024-08-05","17:53:06",""
"1572003","11.013","0.002","13.708","0.003","14.075","0.003","114.46","0.03","99.2","0.03","104.7","0.03","1784.1","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H100 B2 F8 N12 O4 Pt -","- C72 H100 B2 F8 N12 O4 Pt -","- C72 H100 B2 F8 N12 O4 Pt -","1","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","","0.71073","synchrotron","","0.0283","0.0283","","","0.0727","0.0728","","","","","","1.1","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572004","11.4301","0.0013","19.803","0.0014","11.257","0.0009","90","","103.529","0.01","90","","2477.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ethyl platinum complex","","- C48 H52 B2 F8 N12 O4 Pt -","- C48 H52 B2 F8 N12 O4 Pt -","- C96 H104 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","x-ray","0.71073","MoKα","","0.097","0.054","","","0.1139","0.1342","","","","","","1.003","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572005","13.203","0.003","14.387","0.003","17.238","0.004","90","","93.431","0.006","90","","3268.5","1.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Hexyl complex","","- C64 H84 B2 F8 N12 O4 Pt -","- C64 H84 B2 F8 N12 O4 Pt -","- C128 H168 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","","0.71073","MoKα","","0.0318","0.0242","","","0.056","0.0594","","","","","","1.074","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572006","12.1096","0.0012","19.8229","0.0013","11.4298","0.0012","90","","106.062","0.011","90","","2636.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 B2 F8 N12 O4 Pt -","- C52 H60 B2 F8 N12 O4 Pt -","- C104 H120 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","x-ray","0.71073","MoKα","","0.1254","0.066","","","0.1315","0.1601","","","","","","0.989","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572007","5.4401","0.0002","9.123","0.0003","17.9486","0.0006","101.504","0.003","95.881","0.002","94.474","0.002","863.86","0.05","193","","193","","","","","","","","","2","P -1","-P 1","2","","","","- C46 H50 -","- C46 H50 -","- C46 H50 -","1","0.5","","Guo, Jianwen; Du, Fangxin; Yu, Bo; Du, Pengcheng; Li, Haoyuan; Zhang, Jianhua; Xin, Hanshen","Heptacyclic aromatic hydrocarbon isomers with two azulene units fused.","Chemical science","2024","15","31","12589","12597","10.1039/d4sc02566k","","","1.54178","CuKα","","0.0631","0.0479","","","0.1288","0.1381","","","","","","1.051","","","","has coordinates","294479","2024-09-05","23:54:08",""
"1572008","18.908","0.004","5.7056","0.0012","19.221","0.004","90","","115.935","0.003","90","","1864.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","A","","- C27 H17 N O -","- C27 H17 N O -","- C108 H68 N4 O4 -","4","1","","Lee, Yunjeong; Jhun, Byung Hak; Woo, Sihyun; Kim, Seoyeon; Bae, Jaehan; You, Youngmin; Cho, Eun Jin","Charge-recombinative triplet sensitization of alkenes for DeMayo-type [2 + 2] cycloaddition.","Chemical science","2024","15","30","12058","12066","10.1039/d4sc02601b","","","0.71073","MoKα","","0.2695","0.2381","","","0.2681","0.2947","","","","","","1.699","","","","has coordinates","293764","2024-08-05","18:07:05",""
"1572009","10.4813","0.0016","10.5048","0.0016","13.991","0.002","97.915","0.006","92.615","0.006","118.101","0.006","1335.1","0.4","298","","298","","","","","","","","","4","P 1","P 1","1","","","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C48 H66 N6 O14 -","2","2","","Wang, Xia; Wang, Shao-Jie; Xin, Xiaolan; An, Hao; Tu, Zhifeng; Yang, Hui; Wong, Ming Wah; Lu, Shenci","Enantioconvergent and diastereoselective synthesis of atropisomeric hydrazides bearing a cyclic quaternary stereocenter through ternary catalysis.","Chemical science","2024","15","33","13240","13249","10.1039/d4sc03190c","","","1.34139","GaKα","","0.0777","0.0527","","","0.145","0.1627","","","","","","1.002","","","","has coordinates","294475","2024-09-05","23:49:20",""
"1572010","15.78147","0.00011","14.09396","0.00013","16.78114","0.00012","90","","98.9652","0.0007","90","","3686.92","0.05","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N4 O11 -","- C36 H42 N4 O11 -","- C144 H168 N16 O44 -","4","1","","Wang, Xia; Wang, Shao-Jie; Xin, Xiaolan; An, Hao; Tu, Zhifeng; Yang, Hui; Wong, Ming Wah; Lu, Shenci","Enantioconvergent and diastereoselective synthesis of atropisomeric hydrazides bearing a cyclic quaternary stereocenter through ternary catalysis.","Chemical science","2024","15","33","13240","13249","10.1039/d4sc03190c","","","1.54184","CuKα","","0.0522","0.0489","","","0.135","0.1379","","","","","","1.059","","","","has coordinates","294475","2024-09-05","23:49:21",""
"1572011","22.6325","0.0011","22.6325","0.0011","30.888","0.002","90","","90","","120","","13702","1.3","223","2","223","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C150 H162 Cl48 N18 O57 Pd3 S15 -","- C150 H162 Cl48 N18 O57 Pd3 S15 -","- C300 H324 Cl96 N36 O114 Pd6 S30 -","2","0.333333","","Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar","A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.","Chemical science","2024","15","29","11287","11301","10.1039/d4sc01078g","","","0.71073","MoKα","","0.1189","0.0847","","","0.2277","0.2781","","","","","","1.04","","","","has coordinates,has disorder","293729","2024-08-05","17:52:52",""
"1572012","40.82","0.06","40.82","0.06","24.82","0.04","90","","90","","90","","41357","11","100","2","100","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C224 H168 N29 O83 Pd5 S6 -","- C224 H168 N29 O83 Pd5 S6 -","- C896 H672 N116 O332 Pd20 S24 -","4","0.5","","Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar","A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.","Chemical science","2024","15","29","11287","11301","10.1039/d4sc01078g","","","0.71073","MoKα","","0.1436","0.1068","","","0.2758","0.3308","","","","","","1.334","","","","has coordinates","293729","2024-08-05","17:52:53",""
"1572013","18.26","0.02","21.68","0.02","30.26","0.04","106.49","0.06","91.26","0.07","105.9","0.04","10982","2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H128 N24 O62 Pd4 S6 -","- C148 H128 N24 O62 Pd4 S6 -","- C296 H256 N48 O124 Pd8 S12 -","2","1","","Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar","A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.","Chemical science","2024","15","29","11287","11301","10.1039/d4sc01078g","","","0.71073","MoKα","","0.177","0.1007","","","0.2463","0.2999","","","","","","1.036","","","","has coordinates","293729","2024-08-05","17:52:53",""
"1572014","6.0332","0.0001","11.399","0.0003","17.7451","0.0003","84.659","0.002","88.405","0.002","83.737","0.002","1207.63","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 N O3 Si -","- C26 H35 N O3 Si -","- C52 H70 N2 O6 Si2 -","2","1","","Bao, Ming; Bohórquez, Arnold R Romero; Arman, Hadi; Doyle, Michael P.","Photoinduced [4 + 2]-cycloaddition reactions of vinyldiazo compounds for the construction of heterocyclic and bicyclic rings.","Chemical science","2024","15","30","12042","12046","10.1039/d4sc03558e","","x-ray","1.54184","CuKα","","0.0371","0.0341","","","0.09","0.0924","","","","","","0.992","","","","has coordinates","293767","2024-08-05","18:07:54",""
"1572015","14.0714","0.0002","14.8588","0.0002","16.3784","0.0002","90.572","0.001","92.785","0.001","107.376","0.001","3263.25","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 N3 O4 Si -","- C35 H41 N3 O4 Si -","- C140 H164 N12 O16 Si4 -","4","2","","Bao, Ming; Bohórquez, Arnold R Romero; Arman, Hadi; Doyle, Michael P.","Photoinduced [4 + 2]-cycloaddition reactions of vinyldiazo compounds for the construction of heterocyclic and bicyclic rings.","Chemical science","2024","15","30","12042","12046","10.1039/d4sc03558e","","x-ray","1.54184","CuKα","","0.0737","0.0669","","","0.1395","0.1432","","","","","","1.002","","","","has coordinates","293767","2024-08-05","18:07:55",""
"1572016","16.0957","0.0002","11.6873","0.0001","20.2429","0.0002","90","","90","","90","","3808","0.07","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H20 F10 P Sb -","- C13 H20 F10 P Sb -","- C104 H160 F80 P8 Sb8 -","8","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0337","0.0272","","","0.0589","0.0616","","","","","","1.031","","","","has coordinates,has disorder","293769","2024-08-05","18:09:47",""
"1572017","8.6271","0.0006","11.2928","0.0009","12.0061","0.001","74.243","0.007","74.812","0.007","70.602","0.007","1042.64","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 F10 P S2 Sb -","- C14 H20 F10 P S2 Sb -","- C28 H40 F20 P2 S4 Sb2 -","2","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0315","0.0292","","","0.0696","0.0723","","","","","","1.069","","","","has coordinates","293769","2024-08-05","18:09:48",""
"1572018","17.0497","0.0005","11.9276","0.0003","20.3495","0.0006","90","","90","","90","","4138.3","0.2","100","0.11","100","0.11","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H20 F10 O2 P S Sb -","- C13 H20 F10 O2 P S Sb -","- C104 H160 F80 O16 P8 S8 Sb8 -","8","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0453","0.032","","","0.0699","0.0751","","","","","","1.076","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572019","15.3875","0.0002","11.5169","0.0001","14.6407","0.0002","90","","106.704","0.001","90","","2485.09","0.05","100.01","0.13","100.01","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 F10 N O P Sb -","- C20 H25 F10 N O P Sb -","- C80 H100 F40 N4 O4 P4 Sb4 -","4","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0337","0.0287","","","0.0709","0.0739","","","","","","1.108","","","","has coordinates","293769","2024-08-05","18:09:48",""
"1572020","9.9191","0.0002","16.6017","0.0003","17.2503","0.0003","64.175","0.002","85.392","0.001","85.358","0.001","2545.37","0.09","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 F10 N P S Sb -","- C20 H25 F10 N P S Sb -","- C80 H100 F40 N4 P4 S4 Sb4 -","4","2","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0454","0.03","","","0.0622","0.068","","","","","","1.035","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572021","8.8715","0.0002","10.8958","0.0002","21.7596","0.0004","77.654","0.002","85.919","0.001","80.909","0.002","2027.35","0.07","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 Au Cl F20 P2 Sb2 -","- C26 H40 Au Cl F20 P2 Sb2 -","- C52 H80 Au2 Cl2 F40 P4 Sb4 -","2","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0357","0.0303","","","0.0595","0.0614","","","","","","1.086","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572022","11.728","0.0002","18.5033","0.0003","19.9201","0.0003","90","","90","","90","","4322.8","0.12","100.01","0.13","100.01","0.13","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 Au F23 O3 P2 S Sb2 -","- C27 H40 Au F23 O3 P2 S Sb2 -","- C108 H160 Au4 F92 O12 P8 S4 Sb8 -","4","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0298","0.023","","","0.0444","0.0481","","","","","","1.0693","","","","has coordinates","293769","2024-08-05","18:09:48",""
"1572023","14.3389","0.0008","23.8027","0.0013","24.6313","0.0013","90","","90","","90","","8406.8","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H96 Cl2 P4 Rh2 -","- C104 H96 Cl2 P4 Rh2 -","- C416 H384 Cl8 P16 Rh8 -","4","1","","Swann, Noah; Tang, Kiki; Nam, Jihyeon; Lee, Jooyeon; Domin, Marek; Shaw, Thomas E.; Kozimor, Stosh A.; Som, Salina; Lee, Kangsang L.","Intermolecular C-H silylations of arenes and heteroarenes with mono-, bis-, and tris(trimethylsiloxy)hydrosilanes: control of silane redistribution under operationally diverse approaches.","Chemical science","2024","15","30","11912","11918","10.1039/d4sc03394a","","","0.71073","MoKα","","0.0625","0.0434","","","0.0945","0.1035","","","","","","1.019","","","","has coordinates","293774","2024-08-05","18:11:32",""
"1572027","10.6808","0.0004","20.4088","0.0008","20.8267","0.0008","90","","96.752","0.002","90","","4508.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H60 F4 N O3 P3 S -","- C45 H60 F4 N O3 P3 S -","- C180 H240 F16 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0575","0.0408","","","0.1005","0.1094","","","","","","1.026","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572028","10.8554","0.001","11.7203","0.0011","18.4078","0.0016","106.573","0.002","104.787","0.002","94.53","0.003","2141.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H57 F3 N O3 P3 S -","- C44 H57 F3 N O3 P3 S -","- C88 H114 F6 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0823","0.0515","","","0.1183","0.1376","","","","","","1.018","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572029","13.7735","0.0012","14.331","0.0012","16.4614","0.0014","67.221","0.002","80.664","0.003","64.226","0.002","2697.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H77 F3 N O4 P3 S -","- C54 H77 F3 N O4 P3 S -","- C108 H154 F6 N2 O8 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","Mokα","","0.0972","0.0517","","","0.1099","0.1284","","","","","","1.013","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572030","9.5059","0.0005","14.4773","0.0008","21.4699","0.0012","90","","91.586","0.002","90","","2953.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F3 N O3 P3 S -","- C20 H33 F3 N O3 P3 S -","- C80 H132 F12 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","0.71073","MoKα","","0.0507","0.041","","","0.1112","0.1148","","","","","","1.081","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572031","11.5917","0.001","22.103","0.002","13.3286","0.0012","90","","115.243","0.003","90","","3088.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 F3 N O3 P3 S -","- C30 H37 F3 N O3 P3 S -","- C120 H148 F12 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","0.71073","MoKα","","0.1575","0.0852","","","0.1812","0.2095","","","","","","1.064","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572032","14.4906","0.0006","15.0696","0.0007","17.5125","0.0009","69.989","0.002","82.093","0.002","72.732","0.002","3428.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H74 F6 N O3 P3 S -","- C54 H74 F6 N O3 P3 S -","- C108 H148 F12 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","Mokα","","0.0622","0.0501","","","0.1319","0.1416","","","","","","1.02","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572033","11.005","0.002","12.506","0.002","15.198","0.003","113.278","0.006","98.207","0.007","93.456","0.007","1886","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 F3 N O3 P3 S -","- C35 H39 F3 N O3 P3 S -","- C70 H78 F6 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0928","0.0526","","","0.1084","0.1261","","","","","","0.967","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572034","13.0397","0.0005","21.2666","0.0008","18.7063","0.0007","90","","101.217","0.001","90","","5088.4","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H73 F3 N O3 P3 S -","- C48 H73 F3 N O3 P3 S -","- C192 H292 F12 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.111","0.0674","","","0.1632","0.1816","","","","","","1.1","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572035","13.2057","0.0006","14.4979","0.0007","16.1649","0.0008","65.068","0.001","79.103","0.001","64.993","0.001","2543.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H75 F3 N O3 P3 S -","- C53 H75 F3 N O3 P3 S -","- C106 H150 F6 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0613","0.04","","","0.088","0.0979","","","","","","1.012","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572036","13.3026","0.0007","15.258","0.0008","16.3831","0.0008","103.595","0.002","90.873","0.002","109.755","0.002","3025.6","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 N P3 -","- C34 H38 N P3 -","- C136 H152 N4 P12 -","4","2","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.074","0.0502","","","0.1208","0.1333","","","","","","1.035","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572037","13.273","0.004","8.55","0.003","24.63","0.008","90","","97.626","0.004","90","","2770.4","1.6","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C58 H76 O P6 -","- C58 H76 O P6 -","- C116 H152 O2 P12 -","2","0.5","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","0.71073","MoKα","","0.1136","0.0694","","","0.1921","0.2279","","","","","","0.998","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572038","15.6132","0.0009","12.7998","0.0007","26.6995","0.0016","90","","90","","90","","5335.8","0.5","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H36 N P3 -","- C29 H36 N P3 -","- C232 H288 N8 P24 -","8","2","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0601","0.0405","","","0.0833","0.0907","","","","","","1.037","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572039","11.345","0.0008","11.9683","0.0008","15.3035","0.001","80.276","0.002","79.095","0.002","63.1","0.002","1811.4","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N P3 -","- C38 H54 N P3 -","- C76 H108 N2 P6 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0523","0.0363","","","0.1134","0.1289","","","","","","0.93","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572040","16.9451","0.0007","13.2118","0.0006","20.9116","0.001","90","","104.798","0.004","90","","4526.3","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72 N P3 -","- C47 H72 N P3 -","- C188 H288 N4 P12 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","1.54178","CuKα","","0.1001","0.0669","","","0.1526","0.1677","","","","","","1.066","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572041","8.7516","0.0004","11.3824","0.0005","20.2888","0.0011","86.071","0.002","89.119","0.003","79.852","0.002","1984.75","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H56 N P3 -","- C43 H56 N P3 -","- C86 H112 N2 P6 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0507","0.0373","","","0.086","0.0925","","","","","","1.037","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572042","12.984","0.0004","8.7134","0.0003","42.5367","0.0014","90","","98.699","0.003","90","","4757","0.3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 N P3 -","- C52 H74 N P3 -","- C208 H296 N4 P12 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","1.54178","CuKα","","0.0867","0.0596","","","0.1308","0.1455","","","","","","1.042","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572043","7.3017","0.0005","9.9102","0.0007","15.2826","0.0011","91.383","0.002","101.01","0.002","104.534","0.002","1047.75","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H32 N P3 -","- C19 H32 N P3 -","- C38 H64 N2 P6 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0301","0.0268","","","0.0704","0.0723","","","","","","1.032","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572044","8.883","0.0005","10.7359","0.0006","10.9008","0.0006","84.098","0.002","80.59","0.002","65.9","0.001","935.44","0.09","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Guin, Avishek; Deswal, Shiksha; Harariya, Mahesh Singh; Biju, Akkattu T.","Lewis acid-catalyzed diastereoselective formal ene reaction of thioindolinones/thiolactams with bicyclobutanes.","Chemical science","2024","15","31","12473","12479","10.1039/d4sc02194k","","","0.71073","MoKα","","0.0498","0.0377","","","0.096","0.103","","","","","","1.0445","","","","has coordinates","294489","2024-09-05","23:56:40",""
"1572045","10.3425","0.0002","12.0823","0.0002","10.7603","0.0002","90","","111.053","0.002","90","","1254.86","0.04","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N8 O -","- C27 H30 N8 O -","- C54 H60 N16 O2 -","2","1","","Jiang, Yi-Fan; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral nor-heteracalixarenes: design and synthesis <i>via</i> enantioselective intramolecular Suzuki-Miyaura reaction.","Chemical science","2024","15","31","12517","12522","10.1039/d4sc03506b","","x-ray","1.54184","CuKα","","0.0339","0.0324","","","0.0826","0.0835","","","","","","1.034","","","","has coordinates","294487","2024-09-05","23:56:14",""
"1572046","10.1196","0.0001","10.2523","0.0001","15.3641","0.0002","90","","108.435","0.001","90","","1512.21","0.03","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H35 Cl2 N7 O2 -","- C30 H35 Cl2 N7 O2 -","- C60 H70 Cl4 N14 O4 -","2","1","","Jiang, Yi-Fan; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral nor-heteracalixarenes: design and synthesis <i>via</i> enantioselective intramolecular Suzuki-Miyaura reaction.","Chemical science","2024","15","31","12517","12522","10.1039/d4sc03506b","","x-ray","1.54184","CuKα","","0.0494","0.0477","","","0.1276","0.129","","","","","","1.05","","","","has coordinates","294487","2024-09-05","23:56:15",""
"1572047","17.6378","0.0009","4.1739","0.0003","24.0146","0.0011","90","","106.817","0.003","90","","1692.31","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","Hanna, Fergal E.; Root, Alexander J.; Schade, Markus; Hunter, Christopher A.","Negative cooperativity in the formation of H-bond networks involving primary anilines.","Chemical science","2024","15","30","12036","12041","10.1039/d4sc03719g","","","1.54178","CuKα","","0.0823","0.052","","","0.1164","0.1349","","","","","","1.029","","","","has coordinates","293773","2024-08-05","18:11:22",""
"1572050","11.7692","0.0005","12.3869","0.0006","31.3291","0.0012","90","","90","","90","","4567.3","0.3","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H57 B2 N Se -","- C55 H57 B2 N Se -","- C220 H228 B8 N4 Se4 -","4","1","","Zhong, Daokun; Liu, Siqi; Yue, Ling; Feng, Zhao; Wang, Hongyan; Yang, Peng; Su, Bochao; Yang, Xiaolong; Sun, Yuanhui; Zhou, Guijiang","Achieving pure room temperature phosphorescence (RTP) in phenoselenazine-based organic emitters through synergism among heavy atom effect, enhanced n → π* transitions and magnified electron coupling by the A-D-A molecular configuration.","Chemical science","2024","15","24","9112","9119","10.1039/d4sc01200c","","","0.71073","MoKα","","0.0824","0.0427","","","0.083","0.0963","","","","","","0.995","","","","has coordinates","292728","2024-07-04","04:38:43",""
"1572051","14.8492","0.0003","15.4702","0.0004","22.7707","0.0006","89.501","0.002","84.631","0.002","86.365","0.0019","5197.4","0.2","173","0.1","173","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4 -","- C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4 -","- C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4 -","1","0.5","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","x-ray","1.54184","CuKα","","0.0505","0.0377","","","0.0891","0.0957","","","","","","1.031","","","","has coordinates","292729","2024-07-04","04:49:25",""
"1572052","22.2403","0.0003","19.9911","0.0002","22.5255","0.0003","90","","94.39","0.001","90","","9985.6","0.2","100.01","0.11","100.01","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H84 Cu4 F12 N4 P6 Pt2 -","- C116 H84 Cu4 F12 N4 P6 Pt2 -","- C464 H336 Cu16 F48 N16 P24 Pt8 -","4","0.5","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","x-ray","1.54184","CuKα","","0.0527","0.0469","","","0.1313","0.135","","","","","","1.09","","","","has coordinates","292729","2024-07-04","04:49:26",""
"1572053","30.1604","0.0008","14.9159","0.0003","25.3705","0.0008","90","","110.963","0.003","90","","10658","0.5","173","0.1","173","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C105 H74 Cl2 Cu4 F24 N4 P6 Pt2 -","- C105 H74 Cl2 Cu4 F24 N4 P6 Pt2 -","- C420 H296 Cl8 Cu16 F96 N16 P24 Pt8 -","4","1","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","","1.54184","CuKα","","0.0948","0.0596","","","0.1366","0.1548","","","","","","1.039","","","","has coordinates,has disorder","292729","2024-07-04","04:49:26",""
"1572054","24.0292","0.0003","23.4432","0.0003","20.9407","0.0003","90","","90.254","0.001","90","","11796.2","0.3","100","0.11","100","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C138 H106 Cu4 F12 N4 P6 Pt2 -","- C138 H108 Cu4 F12 N4 P6 Pt2 -","- C552 H432 Cu16 F48 N16 P24 Pt8 -","4","1","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","x-ray","1.54184","CuKα","","0.0752","0.0584","","","0.1495","0.1577","","","","","","1.021","","","","has coordinates","292729","2024-07-04","04:49:26",""
"1572055","27.8806","0.0011","14.6603","0.0004","29.4612","0.0011","90","","117.331","0.005","90","","10697.7","0.8","173","0.1","173","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C101 H74 Cl2 Cu4 F16 N4 P6 Pt2 -","- C101 H74 Cl2 Cu4 F16 N4 P6 Pt2 -","- C404 H296 Cl8 Cu16 F64 N16 P24 Pt8 -","4","1","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","","1.54184","CuKα","","0.1293","0.0879","","","0.2306","0.255","","","","","","1.064","","","","has coordinates","292729","2024-07-04","04:49:26",""
"1572056","10.2995","0.0004","25.7122","0.0017","12.4585","0.0016","90","","104.672","0.007","90","","3191.7","0.5","290.19","0.1","290.19","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C168 H152 N8 -","4","1","","Zhou, Yu-Qiang; He, Kui-Cheng; Zheng, Wei-Hao; Lv, Jing-Fang; He, Shi-Mei; Yu, Ning; Yang, Yun-Bo; Liu, Lv-Yan; Jiang, Kun; Wei, Ye","1,5-Hydrogen atom transfer of α-iminyl radical cations: a new platform for relay annulation for pyridine derivatives and axially chiral heterobiaryls.","Chemical science","2024","15","20","7502","7514","10.1039/d4sc01858c","","x-ray","1.54184","CuKα","","0.0463","0.0428","","","0.1146","0.1179","","","","","","1.057","","","","has coordinates","292730","2024-07-04","04:50:15",""
"1572057","8.15719","0.00019","11.2106","0.0002","27.1349","0.0006","90","","90","","90","","2481.41","0.09","291.19","0.1","291.19","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C120 H116 N4 O8 -","4","1","","Zhou, Yu-Qiang; He, Kui-Cheng; Zheng, Wei-Hao; Lv, Jing-Fang; He, Shi-Mei; Yu, Ning; Yang, Yun-Bo; Liu, Lv-Yan; Jiang, Kun; Wei, Ye","1,5-Hydrogen atom transfer of α-iminyl radical cations: a new platform for relay annulation for pyridine derivatives and axially chiral heterobiaryls.","Chemical science","2024","15","20","7502","7514","10.1039/d4sc01858c","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1411","0.146","","","","","","1.057","","","","has coordinates","292730","2024-07-04","04:50:15",""
"1572059","20.4511","0.0004","20.4148","0.0004","25.8502","0.0006","90","","96.905","0.001","90","","10714.3","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.75 H27.5 Cl1.5 N4 O2 -","- C28.75 H27.5 Cl1.5 N4 O2 -","- C460 H440 Cl24 N64 O32 -","16","4","","Cheng, Jun; Yang, Liuqing; Wang, Ruiyao; Wisner, James A.; Ding, Zhifeng; Wang, Hong-Bo","Intensified electrochemiluminescence and photoluminescence <i>via</i> supramolecular anion recognition interactions.","Chemical science","2024","15","31","12291","12300","10.1039/d4sc03338h","","","1.54178","CuKα","","0.0718","0.0585","","","0.1557","0.1731","","","","","","1.021","","","","has coordinates,has disorder","294480","2024-09-05","23:54:24",""
"1572071","18.3373","0.0004","6.019","0.0001","24.2331","0.0004","90","","104.751","0.002","90","","2586.51","0.09","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C35 H28 B -","- C35 H28 B -","- C140 H112 B4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.1005","0.0663","","","0.1623","0.1858","","","","","","1.042","","","","has coordinates,has disorder","294490","2024-09-05","23:56:58",""
"1572072","13.2512","0.0002","14.8632","0.0001","14.8307","0.0002","90","","113.055","0.002","90","","2687.68","0.07","100","2","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 B N -","- C35 H30 B N -","- C140 H120 B4 N4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0542","0.0417","","","0.1055","0.1128","","","","","","1.027","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572073","13.6258","0.0001","13.39","0.0002","12.5357","0.0001","90","","98.732","0.001","90","","2260.62","0.04","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H24 B N -","- C31 H24 B N -","- C124 H96 B4 N4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0319","0.0316","","","0.0806","0.0808","","","","","","1.076","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572074","9.9393","0.0002","15.2431","0.0002","16.3736","0.0003","85.65","0.001","86.819","0.002","89.362","0.001","2469.68","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H55 B2 N3 Si -","- C62 H55 B2 N3 Si -","- C124 H110 B4 N6 Si2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0927","0.0833","","","0.2269","0.2381","","","","","","1.041","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572075","12.3326","0.0002","16.072","0.0002","13.3588","0.0002","90","","92.427","0.001","90","","2645.47","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B O P -","- C32 H34 B O P -","- C128 H136 B4 O4 P4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0506","0.044","","","0.1104","0.114","","","","","","1.069","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572076","10.9933","0.0002","12.0387","0.0002","17.7494","0.0003","90","","106.511","0.002","90","","2252.18","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 B O -","- C30 H27 B O -","- C120 H108 B4 O4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0555","0.0431","","","0.1117","0.1189","","","","","","1.044","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572077","10.9399","0.0001","13.5758","0.0002","19.8961","0.0002","90","","104.763","0.001","90","","2857.38","0.06","100","2","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 B N2 -","- C36 H32 B N2 -","- C144 H128 B4 N8 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0485","0.0449","","","0.1147","0.1175","","","","","","1.024","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572078","13.0612","0.0002","11.3209","0.0001","16.7015","0.0002","90","","106.225","0.001","90","","2371.2","0.05","100","2","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 B N Si -","- C29 H28 B N Si -","- C116 H112 B4 N4 Si4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0521","0.0444","","","0.1163","0.1214","","","","","","1.035","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572079","13.4563","0.0001","30.1996","0.0002","11.7809","0.0001","90","","97.829","0.001","90","","4742.84","0.06","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 B2 N3 Si -","- C61 H53 B2 N3 Si -","- C244 H212 B8 N12 Si4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0461","0.0442","","","0.1159","0.1173","","","","","","1.021","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572080","24.7977","0.0011","3.9818","0.0002","24.8783","0.001","90","","97.267","0.004","90","","2436.74","0.19","303.7","0.4","303.7","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 N O S -","- C36 H21 N O S -","- C144 H84 N4 O4 S4 -","4","1","","Huang, Wenbin; Zhu, Yuxin; Xie, Xinwei; Tang, Guanqun; Zhou, Kang; Song, Lijuan; He, Zikai","Utilizing weakly donor-acceptor ternary π-conjugated architecture to achieve single-component white luminescence and stimulus-responsive room-temperature phosphorescence.","Chemical science","2024","15","31","12316","12325","10.1039/d4sc02525c","","x-ray","1.54184","CuKα","","0.1137","0.0537","","","0.1218","0.1524","","","","","","0.923","","","","has coordinates","294488","2024-09-05","23:56:24",""
"1572081","19.1082","0.0012","3.94","0.0002","32.2145","0.0017","90","","90","","90","","2425.3","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H21 N S2 -","- C36 H21 N S2 -","- C144 H84 N4 S8 -","4","1","","Huang, Wenbin; Zhu, Yuxin; Xie, Xinwei; Tang, Guanqun; Zhou, Kang; Song, Lijuan; He, Zikai","Utilizing weakly donor-acceptor ternary π-conjugated architecture to achieve single-component white luminescence and stimulus-responsive room-temperature phosphorescence.","Chemical science","2024","15","31","12316","12325","10.1039/d4sc02525c","","x-ray","1.54184","CuKα","","0.0978","0.0792","","","0.2408","0.273","","","","","","1.133","","","","has coordinates","294488","2024-09-05","23:56:24",""
"1572082","6.187","0.0017","8.034","0.002","65.131","0.017","90","","90","","90","","3237.4","1.5","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 O6 S -","- C38 H36 O6 S -","- C152 H144 O24 S4 -","4","1","","Li, Yantao; Bai, Haonan; Gao, Qi; Liu, Kai; Han, Jie; Li, Weipeng; Zhu, Chengjian; Xie, Jin","Stereoselective benzylic C(sp<sup>3</sup>)-H alkenylation enabled by metallaphotoredox catalysis.","Chemical science","2024","15","31","12511","12516","10.1039/d4sc02830a","","","1.54178","CuKα","","0.0736","0.0516","","","0.1224","0.1354","","","","","","1.053","","","","has coordinates","294485","2024-09-05","23:55:54",""
"1572083","12.9179","0.0003","17.0625","0.0004","17.3348","0.0004","94.909","0.001","97.056","0.001","91.956","0.001","3774.09","0.15","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H82 Cl4 N4 O8 -","- C89 H82 Cl4 N4 O8 -","- C178 H164 Cl8 N8 O16 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.134","0.0842","","","0.2324","0.2696","","","","","","1.038","","","","has coordinates,has disorder","294473","2024-09-05","23:48:50",""
"1572084","12.6808","0.0011","24.763","0.002","18.6875","0.0016","90","","97.784","0.006","90","","5814.1","0.9","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H66 Cu0.25 I0.25 N7 O3 -","- C65 H60 N2 O8 -","- C260 H240 N8 O32 -","4","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","","1.54178","cukα","","0.1047","0.0643","","","0.1578","0.1868","","","","","","1.013","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572085","10.3276","0.0009","32.363","0.002","25.149","0.002","90","","95.279","0.003","90","","8370","1.1","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C102 H99 N4 O9.5 -","- C102 H96 N4 O8 -","- C408 H384 N16 O32 -","4","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1995","0.0982","","","0.1608","0.2024","","","","","","1.096","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572086","12.1284","0.0009","21.1102","0.0019","35.055","0.003","90","","96.044","0.004","90","","8925.3","1.3","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C164 H202 Cu4 N10 O46 -","- C149 H155 Cu4 N5 O35 -","- C298 H310 Cu8 N10 O70 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.1338","0.0678","","","0.171","0.1979","","","","","","1.001","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572087","12.0846","0.0019","21.322","0.004","19.015","0.003","90","","104.018","0.005","90","","4753.6","1.4","292","","292","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C85 H102 Cu2 N6 O21 -","- C76 H79 Cu2 N3 O17 -","- C152 H158 Cu4 N6 O34 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1012","0.0696","","","0.1862","0.2079","","","","","","1.039","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572088","12.358","0.0003","16.3529","0.0004","17.9257","0.0004","97.387","0.001","103.424","0.001","98.455","0.001","3435.12","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H81 Cu2 N3 O18 -","- C76 H81 Cu2 N3 O18 -","- C152 H162 Cu4 N6 O36 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","","0.71073","MoKα","","0.1013","0.0765","","","0.2088","0.2213","","","","","","1.063","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572089","19.721","0.005","21.191","0.005","13.551","0.003","90","","90","","90","","5663","2","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C112 H114 Cu2 N6 O18 -","- C106 H100 Cu2 N4 O16 -","- C212 H200 Cu4 N8 O32 -","2","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1488","0.0901","","","0.2368","0.2844","","","","","","0.965","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572090","13.9766","0.0005","18.8234","0.0008","24.3526","0.0009","112.329","0.001","103.588","0.001","92.94","0.001","5689.8","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H109 Co N11 O19 -","- C88 H79 Co N7.001 O14.003 -","- C176 H158 Co2 N14.002 O28.006 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1353","0.0845","","","0.2301","0.2653","","","","","","1.022","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572091","13.9662","0.0006","14.997","0.0006","20.3479","0.0008","94.792","0.002","106.615","0.003","92.619","0.003","4058.9","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H102 Co N6 O20 -","- C72 H73 Co N3 O13 -","- C144 H146 Co2 N6 O26 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.2276","0.1242","","","0.2793","0.3242","","","","","","1.017","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572092","19.8","0.003","21.138","0.004","13.471","0.003","90","","90","","90","","5638","1.9","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C112 H122 Cu2 N6 O22 -","- C106 H100 Cu2 N4 O16 -","- C212 H200 Cu4 N8 O32 -","2","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1204","0.0874","","","0.2423","0.2795","","","","","","1.008","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572093","16.692","0.002","19.198","0.003","20.104","0.003","69.195","0.004","81.27","0.004","83.209","0.003","5938.1","1.5","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C126 H148 Cu3 N8 O27 -","- C114 H114 Cu3 N4 O20 -","- C228 H228 Cu6 N8 O40 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1664","0.1238","","","0.3054","0.3325","","","","","","1.103","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572094","22.8584","0.0007","41.6812","0.0012","13.7257","0.0005","90","","92.088","0.002","90","","13068.7","0.7","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C117 H146 Cu2 N7 O30 -","- C111 H112 Cu2 N5 O18 -","- C444 H448 Cu8 N20 O72 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.54178","CuKα","","0.1173","0.0992","","","0.2673","0.2841","","","","","","1.141","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572095","13.7025","0.0003","22.6702","0.0005","41.6085","0.001","90","","90","","90","","12925.2","0.5","193","","193","","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C114 H136 Cu2 I4 N8 O18 -","- C102 H103.996 Cu2 I4 N4 O11.998 -","- C408 H415.984 Cu8 I16 N16 O47.992 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.54178","CuKα","","0.1716","0.1319","","","0.3146","0.3384","","","","","","1.142","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572096","30.2976","0.0008","30.0377","0.0008","15.67","0.0004","90","","91.577","0.001","90","","14255.4","0.6","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H154 Cu4 N6 O36 -","- C124 H134 Cu4 N6 O26 -","- C496 H536 Cu16 N24 O104 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.54178","CuKα","","0.069","0.0616","","","0.1833","0.1893","","","","","","1.024","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572097","18.5576","0.0019","40.892","0.004","24.167","0.002","90","","90.15","0.006","90","","18339","3","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C409 H429 Co8 N29 O76.5 -","- C370 H328 Co8 N16 O58.5 -","- C740 H656 Co16 N32 O117 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.2205","0.1129","","","0.2609","0.3069","","","","","","1.248","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572098","13.2377","0.0003","14.9966","0.0003","20.4324","0.0004","81.365","0.002","71.316","0.002","86.856","0.002","3798.83","0.15","153","2","153.15","","","","","","","","","7","P -1","-P 1","2","","","","- C75.69 H82.28 Cl0.41 Cu I0 N4.5 O13.69 -","- C75.692 H82.288 Cl0.404 Cu N4.5 O13.692 -","- C151.384 H164.576 Cl0.808 Cu2 N9 O27.384 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","","1.54178","CuKα","","0.0881","0.0779","","","0.2378","0.2497","","","","","","1.029","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572099","13.8537","0.0008","22.6927","0.0015","41.561","0.003","90","","90","","90","","13065.9","1.5","193","","193","","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C110 H138.5 Cu2 N4 O31.25 -","- C110 H120.5 Cu2 N4 O22.25 -","- C440 H482 Cu8 N16 O89 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.209","0.138","","","0.3019","0.3428","","","","","","1.023","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572100","13.7491","0.0007","41.664","0.002","22.7927","0.0013","90","","91.86","0.003","90","","13049.7","1.2","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C122 H148 Cu2 N8 O26 -","- C113 H114.999 Cu2 N5 O17 -","- C452 H459.995 Cu8 N20 O68 -","4","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.1896","0.1124","","","0.2949","0.3365","","","","","","1.08","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572101","6.8833","0.0011","7.8177","0.001","14.677","0.004","90","","99.67","0.02","90","","778.6","0.3","111.6","0.14","111.6","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","0.71073","MoKα","","0.0725","0.0573","","","0.1181","0.1337","","","","","","1.059","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572102","7.1378","0.0008","8.1657","0.0005","11.6045","0.0011","85.389","0.006","79.331","0.009","68.354","0.008","617.75","0.11","116.5","0.3","116.5","0.3","","","","","","","","5","P 1","P 1","1","","","","- C29 H27 Br N2 O3 -","- C29 H27 Br N2 O3 -","- C29 H27 Br N2 O3 -","1","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","1.54184","CuKα","","0.039","0.0367","","","0.0888","0.0911","","","","","","1.055","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572103","12.115","0.003","20.818","0.004","21.153","0.003","90","","90","","90","","5335","1.8","115","0.14","115","0.14","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H32 N2 O2 S -","- C33 H32 N2 O2 S -","- C264 H256 N16 O16 S8 -","8","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","0.71073","MoKα","","0.17","0.0783","","","0.1267","0.167","","","","","","1.029","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572104","11.56222","0.00007","12.72345","0.00007","18.05699","0.0001","90","","93.4414","0.0005","90","","2651.6","0.03","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 Na2 O6 -","- C60 H78 Na2 O6 -","- C120 H156 Na4 O12 -","2","0.5","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0448","0.0437","","","0.1145","0.1154","","","","","","1.043","","","","has coordinates,has disorder","294466","2024-09-05","23:45:29",""
"1572105","24.0658","0.0004","5.9795","0.0001","30.3634","0.0004","90","","109.168","0.002","90","","4127.1","0.12","150","2","150","0.1","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C30 H26 -","- C30 H26 -","- C240 H208 -","8","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0484","0.0414","","","0.0911","0.0946","","","","","","1.088","","","","has coordinates","294466","2024-09-05","23:45:29",""
"1572106","9.0055","0.0002","8.75137","0.00016","12.0243","0.0003","90","","97.095","0.002","90","","940.38","0.04","150","2","150","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H22 -","- C27 H22 -","- C54 H44 -","2","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0417","0.0375","","","0.1101","0.1109","","","","","","1.416","","","","has coordinates","294466","2024-09-05","23:45:29",""
"1572107","10.36315","0.00007","23.53932","0.00017","18.81353","0.00015","90","","100.857","0.0007","90","","4507.26","0.06","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 O4 Rh2 -","- C56 H58 O4 Rh2 -","- C224 H232 O16 Rh8 -","4","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0335","0.0306","","","0.0736","0.0751","","","","","","1.105","","","","has coordinates,has disorder","294466","2024-09-05","23:45:29",""
"1572108","11.0112","0.0001","8.7626","0.0001","19.1326","0.0002","90","","91.573","0.001","90","","1845.35","0.03","150","2","150","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0391","0.036","","","0.0874","0.0897","","","","","","1.053","","","","has coordinates","294466","2024-09-05","23:45:29",""
"1572109","8.9968","0.0003","11.2118","0.0004","11.8","0.0005","97.93","0.001","103.022","0.001","108.05","0.001","1074.49","0.07","109","","109","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H33 N2 P -","- C22 H33 N2 P -","- C44 H66 N4 P2 -","2","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0402","0.0374","","","0.1031","0.1052","","","","","","1.061","","","","has coordinates","293775","2024-08-05","18:11:57",""
"1572110","9.9418","0.0008","16.3863","0.001","13.0368","0.0009","90","","90","","90","","2123.8","0.3","108","","108","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C23 H33 N2 P -","- C23 H33 N2 P -","- C92 H132 N8 P4 -","4","0.5","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0622","0.0521","","","0.1163","0.1209","","","","","","1.08","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"1572111","13.453","0.009","14.372","0.015","19.53","0.03","90","","90","","90","","3776","7","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 I N2 O3 P Y -","- C34 H55 I N2 O3 P Y -","- C136 H220 I4 N8 O12 P4 Y4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0407","0.034","","","0.0761","0.078","","","","","","1.052","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572112","13.4115","0.0009","14.1878","0.001","19.0912","0.0014","90","","90","","90","","3632.7","0.4","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 I Lu N2 O3 P -","- C34 H55 I Lu N2 O3 P -","- C136 H220 I4 Lu4 N8 O12 P4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0232","0.0215","","","0.0443","0.0447","","","","","","1.126","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572113","10.0823","0.0013","28.934","0.004","15.635","0.002","90","","99.158","0.004","90","","4502.9","1","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 N2 O2 P Y -","- C47 H70 N2 O2 P Y -","- C188 H280 N8 O8 P4 Y4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0608","0.0428","","","0.1043","0.1109","","","","","","1.046","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572114","13.352","0.002","14.546","0.003","19.171","0.004","90","","90","","90","","3723.4","1.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 I La N2 O3 P -","- C34 H55 I La N2 O3 P -","- C136 H220 I4 La4 N8 O12 P4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0264","0.0262","","","0.0617","0.0619","","","","","","1.06","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572115","21.1393","0.0006","21.1393","0.0006","10.827","0.0004","90","","90","","90","","4838.3","0.3","100","","100","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C51 H69 La N2 O2 P -","- C51 H69 La N2 O2 P -","- C204 H276 La4 N8 O8 P4 -","4","0.5","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0372","0.0333","","","0.0867","0.088","","","","","","1.062","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"1572116","10.0585","0.0004","28.9336","0.001","15.5726","0.0006","90","","99.117","0.002","90","","4474.8","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 Lu N2 O2 P -","- C47 H70 Lu N2 O2 P -","- C188 H280 Lu4 N8 O8 P4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0397","0.035","","","0.0736","0.0747","","","","","","1.237","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572117","12.7857","0.0014","18.839","0.002","19.534","0.002","98.801","0.003","105.57","0.003","99.416","0.003","4374.4","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H139 N4 O3.5 P2 Y2 -","- C92 H139 N4 O3.5 P2 Y2 -","- C184 H278 N8 O7 P4 Y4 -","2","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0342","0.0279","","","0.0659","0.0683","","","","","","1.023","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"1572120","10.29909","0.00012","10.79136","0.00013","27.3078","0.0003","90","","90","","90","","3035.02","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C144 H192 O32 -","8","2","","Kim, Ryungwoo; Wu, Yanting; Tong, Rongbiao","Asymmetric total syntheses of sarglamides A, C, D, E, and F.","Chemical science","2024","15","32","12856","12860","10.1039/d4sc03553d","","x-ray","1.54184","CuKα","","0.0389","0.0344","","","0.0834","0.0869","","","","","","1.043","","","","has coordinates","294467","2024-09-05","23:45:39",""
"1572121","19.3307","0.0008","12.1908","0.0005","9.1228","0.0003","90","","90","","90","","2149.85","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H35 Fe N3 O S2 -","- C17 H35 Fe N3 O S2 -","- C68 H140 Fe4 N12 O4 S8 -","4","1","","Lundahl, Maike N.; Greiner, Maria B.; Piquette, Marc C.; Gannon, Paige M.; Kaminsky, Werner; Kovacs, Julie A.","Exploring the influence of H-bonding and ligand constraints on thiolate ligated non-heme iron mediated dioxygen activation.","Chemical science","2024","15","32","12710","12720","10.1039/d4sc02787f","","x-ray","0.71073","MoKα","","0.0365","0.0278","","","0.0541","0.0574","","","","","","1.037","","","","has coordinates","294464","2024-09-05","23:45:10",""
"1572123","12.3091","0.0002","5.0734","0.0001","41.7053","0.0004","90","","90","","90","","2604.45","0.07","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C120 H96 F24 N8 O16 -","8","2","","Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro","Preparation of intrinsically fragile bent crystals.","Chemical science","2024","15","31","12258","12263","10.1039/d4sc02918f","","x-ray","1.54184","CuKα","","0.0422","0.0406","","","0.1075","0.1087","","","","","","1.072","","","","has coordinates","294486","2024-09-05","23:56:04",""
"1572124","6.6355","0.0005","7.3234","0.0005","15.7183","0.001","82.822","0.005","80.835","0.006","65.136","0.007","682.74","0.09","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C30 H24 F6 N2 O4 -","2","1","","Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro","Preparation of intrinsically fragile bent crystals.","Chemical science","2024","15","31","12258","12263","10.1039/d4sc02918f","","x-ray","1.54184","CuKα","","0.0666","0.0614","","","0.1776","0.1873","","","","","","1.084","","","","has coordinates","294486","2024-09-05","23:56:04",""
"1572125","4.9586","0.0002","11.2709","0.0004","24.119","0.0008","90","","95.674","0.003","90","","1341.36","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C60 H48 F12 N4 O8 -","4","1","","Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro","Preparation of intrinsically fragile bent crystals.","Chemical science","2024","15","31","12258","12263","10.1039/d4sc02918f","","x-ray","1.54184","CuKα","","0.0547","0.0482","","","0.1306","0.1359","","","","","","1.067","","","","has coordinates","294486","2024-09-05","23:56:04",""
"1572126","7.2201","0.0002","18.5131","0.0007","31.5422","0.0009","90","","90.9593","0.0017","90","","4215.5","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H83 F12 N5 O P2 -","- C104 H83 F12 N5 O P2 -","- C208 H166 F24 N10 O2 P4 -","2","0.5","","Meador, William E.; Saucier, Matthew A.; Tucker, Max R.; Kruse, Nicholas A.; Mobley, Alexander J.; Brower, Connor R.; Parkin, Sean R.; Clark, Kensha M.; Hammer, Nathan I.; Tschumper, Gregory S.; Delcamp, Jared H.","Extended shortwave infrared absorbing antiaromatic fluorenium-indolizine chromophores.","Chemical science","2024","15","31","12349","12360","10.1039/d4sc00733f","","","1.54178","CuKα","","0.1081","0.0756","","","0.2298","0.2614","","","","","","1.053","","","","has coordinates,has disorder","294482","2024-09-05","23:55:01",""
"1572130","10.763","0.0016","15.914","0.002","18.23","0.003","90","","95.148","0.005","90","","3109.9","0.8","288","2","288","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Pu(Kläui)Cl3","PuCl3{CoCp[OP(OEt)2]3}","","- C17 H35 Cl3 Co O9 P3 Pu -","- C17 H35 Cl3 Co O9 P3 Pu -","- C68 H140 Cl12 Co4 O36 P12 Pu4 -","4","1","","Shaw, Thomas E.; Jones, Zachary R.; Adelman, Sara L.; Anderson, Nickolas H.; Bowes, Eric G.; Bauer, Eric D.; Dan, David; Klouda, Jan; Knope, Karah E.; Kozimor, Stosh A.; MacInnes, Molly M.; Mocko, Veronika; Rocha, Francisca R.; Root, Harrison D.; Stein, Benjamin W.; Thompson, Joe D.; Wacker, Jennifer N.","PuCl<sub>3</sub>{CoCp[OP(OEt)<sub>2</sub>]<sub>3</sub>}: transuranic elements entering the field of heterometallic molecular chemistry.","Chemical science","2024","15","32","12754","12764","10.1039/d4sc01767f","","","0.71073","MoKα","","0.0503","0.0385","","","0.0792","0.0837","","","","","","1.084","","","","has coordinates,has disorder","294463","2024-09-05","23:45:01",""
"1572136","7.6006","0.0002","22.3585","0.0004","20.9221","0.0004","90","","90.948","0.002","90","","3554.97","0.13","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N10 Ni O4 -","- C40 H30 N10 Ni O4 -","- C160 H120 N40 Ni4 O16 -","4","1","","Sakurai, Takahiro; Tanabe, Tappei; Iguchi, Hiroaki; Li, Zhuowei; Matsuda, Wakana; Tsutsui, Yusuke; Seki, Shu; Matsuda, Ryotaro; Shinokubo, Hiroshi","An n-type semiconducting diazaporphyrin-based hydrogen-bonded organic framework.","Chemical science","2024","15","32","12922","12927","10.1039/d4sc03455d","","x-ray","0.71073","MoKα","","0.1202","0.0741","","","0.1546","0.1761","","","","","","1.073","","","","has coordinates","294461","2024-09-05","23:44:39",""
"1572137","17.8348","0.0014","22.4557","0.0019","25.22","0.002","105.856","0.003","107.732","0.002","105.18","0.002","8573.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C203 H178 F24 N12 O5 P4 Rh4 -","- C203 H178 F24 N12 O5 P4 Rh4 -","- C406 H356 F48 N24 O10 P8 Rh8 -","2","1","","Ibáñez, Susana; Mejuto, Carmen; Cerón, Katherin; Sanz Miguel, Pablo J.; Peris, Eduardo","A corannulene-based metallobox for the encapsulation of fullerenes.","Chemical science","2024","15","33","13415","13420","10.1039/d4sc03661a","","","0.71073","MoKα","","0.1806","0.1129","","","0.3092","0.3582","","","","","","1.02","","","","has coordinates,has disorder","294469","2024-09-05","23:46:19",""
"1572138","11.287","0.006","12.693","0.006","18.454","0.01","101.306","0.014","101.726","0.015","97.471","0.014","2498","2","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H52 B N2 S -","- C60 H52 B N2 S -","- C120 H104 B2 N4 S2 -","2","1","","Zhong, Rui; Wang, Mengyu; Wang, Xingdong; Wang, Shumeng; Shao, Shiyang; Wang, Lixiang","10-Dibenzothiophenyl-9,9-diphenylacridane-based multiple resonance emitters for high-efficiency narrowband green OLEDs with CIE <i>y</i> > 0.7 at high doping concentrations.","Chemical science","2024","15","33","13290","13298","10.1039/d4sc03705g","","","0.71073","MoKα","","0.1857","0.0976","","","0.2474","0.302","","","","","","1.066","","","","has coordinates","294474","2024-09-05","23:49:11",""
"1572139","5.9905","0.0004","8.0684","0.0005","16.5496","0.0009","96.029","0.005","98.627","0.005","92.934","0.005","784.65","0.08","453","2","453","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","2","","Zhang, Hao; Wen, Wei; Wang, Yu-Yang; Lu, Ze-Xi; Liu, Jin-Long; Wu, Zhu-Lian; Cai, Tian; Guo, Qi-Xiang","Asymmetric bifunctionalization of allenes with aryl iodides and amino acids enabled by chiral aldehyde/palladium combined catalysis.","Chemical science","2024","15","32","12983","12988","10.1039/d4sc03398a","","","1.54184","CuKα","","0.0861","0.0835","","","0.2273","0.2314","","","","","","1.07","","","","has coordinates","294465","2024-09-05","23:45:16",""
"1572140","14.2638","0.001","17.9124","0.0012","14.1231","0.001","90","","105.354","0.008","90","","3479.6","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N2 S -","- C48 H34 N2 S -","- C192 H136 N8 S4 -","4","0.5","","Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.","Chemical science","2024","15","32","13001","13010","10.1039/d4sc03039g","","x-ray","0.71073","MoKα","","0.0548","0.0421","","","0.0945","0.1031","","","","","","1.027","","","","has coordinates","294462","2024-09-05","23:44:50",""
"1572141","14.6095","0.0011","17.9909","0.0012","14.0147","0.001","90","","104.842","0.007","90","","3560.7","0.5","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N2 O2 S -","- C48 H34 N2 O2 S -","- C192 H136 N8 O8 S4 -","4","0.5","","Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.","Chemical science","2024","15","32","13001","13010","10.1039/d4sc03039g","","x-ray","0.71073","MoKα","","0.0642","0.0508","","","0.1224","0.1338","","","","","","1.062","","","","has coordinates","294462","2024-09-05","23:44:50",""
"1572142","14.3196","0.0016","17.8821","0.0017","14.0725","0.0016","90","","104.757","0.012","90","","3484.6","0.7","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H34 N2 O S -","- C48 H34 N2 O S -","- C192 H136 N8 O4 S4 -","4","1","","Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.","Chemical science","2024","15","32","13001","13010","10.1039/d4sc03039g","","x-ray","0.71073","MoKα","","0.1179","0.0708","","","0.1497","0.1829","","","","","","1.045","","","","has coordinates","294462","2024-09-05","23:44:50",""
"1572143","17.37","0.004","18.92","0.004","33.75","0.007","90","","90","","90","","11092","4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C50 H78 Cl2 Ge N6 O1.5 P2 -","- C50 H77.9985 Cl2 Ge N6 O1.5 P2 -","- C400 H623.988 Cl16 Ge8 N48 O12 P16 -","8","1","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1609","0.0792","","","0.2137","0.2622","","","","","","1.002","","","","has coordinates,has disorder","295190","2024-10-06","07:06:40",""
"1572144","10.76","0.002","12.31","0.003","15.63","0.003","97.5","0.03","99.4","0.03","96","0.03","2008.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H120 N8 Ni2 O2 P4 -","- C82 H120 N8 Ni2 O2 P4 -","- C82 H120 N8 Ni2 O2 P4 -","1","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.0684","0.0375","","","0.0739","0.0792","","","","","","0.877","","","","has coordinates,has disorder","295190","2024-10-06","07:06:40",""
"1572145","9.912","0.002","14.075","0.003","15.094","0.003","66.91","0.03","70.89","0.03","76.79","0.03","1818.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H108 N4 Ni2 O4 P4 -","- C72 H108 N4 Ni2 O4 P4 -","- C72 H108 N4 Ni2 O4 P4 -","1","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1592","0.0644","","","0.1155","0.1483","","","","","","0.964","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572146","15.304","0.003","34.054","0.007","9.7484","0.0019","90","","97.35","0.03","90","","5038.8","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H34 N2 Ni0.5 O P -","- C22.5 H34 N2 Ni0.5 O P -","- C180 H272 N16 Ni4 O8 P8 -","8","2","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.2087","0.0772","","","0.1869","0.2419","","","","","","0.894","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572147","9.89","0.002","21.59","0.004","15.52","0.003","90","","93.1","0.03","90","","3309.1","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H88 N8 Ni2 O2 P4 -","- C66 H88 N8 Ni2 O2 P4 -","- C132 H176 N16 Ni4 O4 P8 -","2","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1306","0.0518","","","0.0841","0.102","","","","","","0.923","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572148","35.655","0.005","35.655","0.005","15.13","0.003","90","","90","","90","","19234","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C82 H120 Cl2 Cu2 N8 Ni2 O2 P4 -","- C82 H120 Cl2 Cu2 N8 Ni2 O2 P4 -","- C656 H960 Cl16 Cu16 N64 Ni16 O16 P32 -","8","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1511","0.0635","","","0.1364","0.1618","","","","","","0.821","","","","has coordinates,has disorder","295190","2024-10-06","07:06:40",""
"1572149","10.84","0.002","23.82","0.005","26.54","0.005","90","","100.2","0.03","90","","6745","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N4 O P2 -","- C30 H38 N4 O P2 -","- C240 H304 N32 O8 P16 -","8","2","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1688","0.0764","","","0.1693","0.1929","","","","","","0.862","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572150","18.707","0.004","15.187","0.003","31.54","0.006","90","","99.45","0.03","90","","8839","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N4 O P2 -","- C41 H60 N4 O P2 -","- C328 H480 N32 O8 P16 -","8","2","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1088","0.0561","","","0.1337","0.1496","","","","","","0.911","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572151","21.3809","0.0004","11.8823","0.0002","26.6796","0.0005","90","","100.995","0.002","90","","6653.6","0.2","150","0.2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H68 I3 N6 Na O9 -","- C58 H68 I3 N6 Na O9 -","- C232 H272 I12 N24 Na4 O36 -","4","1","","Tay, Hui Min; Docker, Andrew; Hua, Carol; Beer, Paul D.","Selective sodium halide over potassium halide binding and extraction by a heteroditopic halogen bonding [2]catenane.","Chemical science","2024","15","32","13074","13081","10.1039/d4sc03381g","","","1.54184","CuKα","","0.0689","0.0487","","","0.1202","0.1385","","","","","","1.022","","","","has coordinates,has disorder","294460","2024-09-05","23:44:30",""
"1572152","12.7215","0.0005","15.7043","0.0006","16.4829","0.0006","99.04","0.001","90.039","0.001","111.104","0.002","3028.1","0.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H33 Br N2 O2 -","- C38 H33 Br N2 O2 -","- C152 H132 Br4 N8 O8 -","4","2","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","x-ray","0.71073","MoKα","","0.109","0.0574","","","0.1179","0.144","","","","","","0.995","","","","has coordinates,has disorder","294471","2024-09-05","23:46:54",""
"1572153","11.4007","0.0003","12.6971","0.0003","23.0034","0.0006","90","","90","","90","","3329.88","0.15","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35 N3 O4 -","- C42 H35 N3 O4 -","- C168 H140 N12 O16 -","4","1","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","","1.54178","CuKα","","0.0249","0.0245","","","0.0645","0.0648","","","","","","1.054","","","","has coordinates","294471","2024-09-05","23:46:55",""
"1572154","10.8233","0.0006","7.0541","0.0004","18.1771","0.001","90","","94.633","0.002","90","","1383.26","0.13","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H34 N2 O2 -","- C35 H34 N2 O2 -","- C70 H68 N4 O4 -","2","1","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","","1.54178","CuKα","","0.0321","0.0319","","","0.0804","0.0807","","","","","","1.088","","","","has coordinates","294471","2024-09-05","23:46:55",""
"1572155","10.0009","0.0005","11.0174","0.0006","34.0362","0.0018","90","","90","","90","","3750.2","0.3","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H41 N3 O6 -","- C45 H41 N3 O6 -","- C180 H164 N12 O24 -","4","1","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","","1.54178","CuKα","","0.0575","0.0557","","","0.1536","0.157","","","","","","1.086","","","","has coordinates,has disorder","294471","2024-09-05","23:46:55",""
"1572156","9.12295","0.00012","9.29509","0.00014","10.32066","0.00017","66.4462","0.0015","78.678","0.0013","73.4692","0.0012","765.7","0.02","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C36 H36 O4 S2 -","2","1","","Chi, Zhuomin; Zhou, Yongchao; Liu, Bingbing; Xu, Xiaojing; Liu, Xueyuan; Liang, Yongmin","Nickel-catalyzed regiodivergent sulfonylarylation of 1,3-enynes to access allenes and dienes.","Chemical science","2024","15","33","13271","13278","10.1039/d4sc03067b","","x-ray","1.54184","CuKα","","0.0317","0.0313","","","0.0855","0.0859","","","","","","1.052","","","","has coordinates,has disorder","294476","2024-09-05","23:49:28",""
"1572157","12.835","0.002","17.351","0.003","26.132","0.005","90","","95.473","0.006","90","","5793.1","1.7","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H69 Ca2 Cl4 I2 N8 O4 -","- C49 H69 Ca2 Cl4 I2 N8 O4 -","- C196 H276 Ca8 Cl16 I8 N32 O16 -","4","1","","Francés-Poveda, Enrique; Martínez de Sarasa Buchaca, Marc; Moya-López, Carmen; Vitorica-Yrezabal, Iñigo J.; López-Solera, Isabel; Castro-Osma, José A.; la Cruz-Martínez, Felipe de; Lara-Sánchez, Agustín","Calcium-catalysed ring-opening copolymerisation of epoxides and cyclic anhydrides","Polymer Chemistry","2024","15","32","3238","3245","10.1039/D4PY00379A","","","0.71073","MoKα","","0.1283","0.1078","","","0.278","0.2911","","","","","","1.145","","","","has coordinates","294644","2024-09-06","02:07:18",""
"1572158","9.505","0.003","10.99","0.003","12.918","0.005","106.384","0.011","100.446","0.011","93.892","0.01","1263","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H50 Ca2 Cl4 I2 N8 O4 -","- C38 H50 Ca2 Cl4 I2 N8 O4 -","- C38 H50 Ca2 Cl4 I2 N8 O4 -","1","0.5","","Francés-Poveda, Enrique; Martínez de Sarasa Buchaca, Marc; Moya-López, Carmen; Vitorica-Yrezabal, Iñigo J.; López-Solera, Isabel; Castro-Osma, José A.; la Cruz-Martínez, Felipe de; Lara-Sánchez, Agustín","Calcium-catalysed ring-opening copolymerisation of epoxides and cyclic anhydrides","Polymer Chemistry","2024","15","32","3238","3245","10.1039/D4PY00379A","","","0.71073","MoKα","","0.0589","0.0444","","","0.123","0.1348","","","","","","1.031","","","","has coordinates","294644","2024-09-06","02:07:22",""
"1572160","21.6654","0.0002","11.6105","0.0001","15.6201","0.0001","90","","96.284","0.001","90","","3905.57","0.06","100","0.11","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 N4 S4 U -","- C32 H64 N4 S4 U -","- C128 H256 N16 S16 U4 -","4","1","","Kelly, Sheridon N.; Russo, Dominic R.; Ouellette, Erik T.; Roy, Debashree; Swift, Andrew J.; Boreen, Michael A.; Smith, Patrick W.; Moreau, Liane M.; Arnold, John; Minasian, Stefan G.","Formation of uranium disulfide from a uranium thioamidate single-source precursor.","Chemical science","2024","15","33","13325","13332","10.1039/d4sc03422h","","","1.54184","CuKα","","0.0252","0.0227","","","0.0586","0.0599","","","","","","1.103","","","","has coordinates","294472","2024-09-05","23:47:05",""
"1572161","8.14215","0.00012","11.39563","0.0002","21.7386","0.0003","90","","90","","90","","2017.01","0.05","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 Cl Cu N -","- C21 H31 Cl Cu N -","- C84 H124 Cl4 Cu4 N4 -","4","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0211","0.0202","","","0.0538","0.0544","","","","","","1.034","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572162","9.6227","0.0003","8.2304","0.0003","12.9158","0.0003","90","","98.352","0.002","90","","1012.07","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl Cu N -","- C21 H31 Cl Cu N -","- C42 H62 Cl2 Cu2 N2 -","2","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0343","0.031","","","0.0756","0.0777","","","","","","1.046","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572163","10.5297","0.0005","13.2008","0.0007","16.3003","0.0007","90","","90","","90","","2265.75","0.19","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl Cu N -","- C23 H35 Cl Cu N -","- C92 H140 Cl4 Cu4 N4 -","4","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0905","0.0855","","","0.2395","0.247","","","","","","1.061","","","","has coordinates,has disorder","294501","2024-09-06","00:00:24",""
"1572164","8.5182","0.0002","15.3074","0.0005","9.1646","0.0003","90","","103.104","0.003","90","","1163.87","0.06","140","0.3","140","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl Cu N S -","- C23 H35 Cl Cu N S -","- C46 H70 Cl2 Cu2 N2 S2 -","2","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0493","0.0472","","","0.1217","0.1234","","","","","","1.041","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572165","18.5489","0.0009","8.927","0.0004","27.5267","0.0011","90","","109.441","0.005","90","","4298.2","0.4","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H69 Cl2 N O Ru -","- C36 H45 Cl2 N O Ru -","- C144 H180 Cl8 N4 O4 Ru4 -","4","2","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0966","0.0852","","","0.2177","0.2261","","","","","","1.088","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572166","11.5043","0.0003","16.034","0.0004","17.8672","0.0005","90","","90","","90","","3295.78","0.15","139.99","0.1","139.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Cl2 N O Ru -","- C35 H45 Cl2 N O Ru -","- C140 H180 Cl8 N4 O4 Ru4 -","4","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0659","0.055","","","0.137","0.1448","","","","","","1.065","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572170","11.5578","0.0008","15.0808","0.001","15.1865","0.0008","90","","109.789","0.002","90","","2490.7","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B2 F6 N6 -","- C22 H34 B2 F6 N6 -","- C88 H136 B8 F24 N24 -","4","1","","Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault","A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.","Chemical science","2024","15","33","13550","13557","10.1039/d4sc02871f","","","0.71073","MoKα","","0.0752","0.0511","","","0.1152","0.1321","","","","","","1.011","","","","has coordinates,has disorder","294470","2024-09-05","23:46:34",""
"1572171","12.8808","0.0005","12.9692","0.0005","13.6306","0.0005","75.784","0.003","67.305","0.003","60.961","0.003","1831.85","0.14","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 B2 F6 I6 N6 -","- C22 H36 B2 F6 I6 N6 -","- C44 H72 B4 F12 I12 N12 -","2","1","","Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault","A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.","Chemical science","2024","15","33","13550","13557","10.1039/d4sc02871f","","","1.54178","CuKα","","0.0984","0.0541","","","0.1187","0.1381","","","","","","1.002","","","","has coordinates","294470","2024-09-05","23:46:35",""
"1572172","17.1147","0.0008","9.0627","0.0005","16.9949","0.0008","90","","90","","90","","2636","0.2","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C22 H36 B2 F6 N6 O2 Zn -","- C22 H36 B2 F6 N6 O2 Zn -","- C88 H144 B8 F24 N24 O8 Zn4 -","4","1","","Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault","A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.","Chemical science","2024","15","33","13550","13557","10.1039/d4sc02871f","","","0.71073","MoKα","","0.0303","0.0239","","","0.0499","0.0521","","","","","","1.047","","","","has coordinates,has disorder","294470","2024-09-05","23:46:35",""
"1572173","11.4757","0.0002","7.6251","0.0002","30.9076","0.0007","90","","99.557","0.001","90","","2666.98","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N2 O4 -","- C28 H46 N2 O4 -","- C112 H184 N8 O16 -","4","1","","Bhattacharya, Debkanta; Scherübl, Maximilian; Daniliuc, Constantin G.; Studer, Armido","Intermolecular radical oxyalkylation of arynes with alkenes and TEMPO.","Chemical science","2024","15","34","13712","13716","10.1039/d4sc04369c","","single crystal","1.54178","CuKα","","0.0499","0.0379","","","0.0829","0.0893","","","","","","1.046","","","","has coordinates","294492","2024-09-05","23:57:37",""
"1572174","15.3322","0.0006","7.6032","0.0003","22.4351","0.0008","90","","91.006","0.002","90","","2614.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl2 N2 O2 -","- C26 H42 Cl2 N2 O2 -","- C104 H168 Cl8 N8 O8 -","4","1","","Bhattacharya, Debkanta; Scherübl, Maximilian; Daniliuc, Constantin G.; Studer, Armido","Intermolecular radical oxyalkylation of arynes with alkenes and TEMPO.","Chemical science","2024","15","34","13712","13716","10.1039/d4sc04369c","","single crystal","1.54178","CuKα","","0.0339","0.0307","","","0.0755","0.0777","","","","","","1.028","","","","has coordinates","294492","2024-09-05","23:57:38",""
"1572175","10.31","0.0002","14.2475","0.0002","21.2431","0.0004","90","","101.444","0.002","90","","3058.4","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.038","0.0304","","","0.0713","0.0749","","","","","","1.046","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572176","10.4052","0.0003","14.404","0.0004","21.488","0.0007","90","","102.191","0.003","90","","3147.92","0.17","270","0.1","270","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0568","0.0372","","","0.0802","0.0871","","","","","","1.036","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572177","10.4206","0.0003","14.4229","0.0004","21.5777","0.0007","90","","102.327","0.003","90","","3168.26","0.17","300","0.1","300","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0626","0.0394","","","0.0878","0.0956","","","","","","1.05","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572178","10.3485","0.0002","14.3166","0.0003","21.297","0.0005","90","","101.719","0.002","90","","3089.49","0.12","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0421","0.0306","","","0.0677","0.0723","","","","","","1.05","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572179","10.4118","0.0003","14.4128","0.0004","21.5424","0.0007","90","","102.244","0.003","90","","3159.19","0.17","290","0.1","290","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0595","0.0373","","","0.0817","0.0888","","","","","","1.04","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572180","10.3635","0.0002","14.3461","0.0003","21.3369","0.0005","90","","101.833","0.002","90","","3104.87","0.12","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0438","0.0318","","","0.0697","0.074","","","","","","1.055","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572181","10.3931","0.0003","14.392","0.0004","21.4414","0.0006","90","","102.072","0.003","90","","3136.23","0.16","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0531","0.0364","","","0.0795","0.0853","","","","","","1.039","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572182","10.3596","0.0002","14.3374","0.0003","21.325","0.0005","90","","101.8","0.002","90","","3100.46","0.12","190","0.1","190","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0442","0.0321","","","0.0721","0.0767","","","","","","1.039","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572183","10.3538","0.0002","14.3266","0.0003","21.3096","0.0005","90","","101.766","0.002","90","","3094.54","0.12","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0438","0.0316","","","0.0706","0.0756","","","","","","1.057","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572184","10.4058","0.0003","14.4072","0.0004","21.5108","0.0007","90","","102.195","0.003","90","","3152.09","0.17","280","0.1","280","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0577","0.037","","","0.0813","0.0884","","","","","","1.059","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572185","10.3478","0.0002","14.3119","0.0003","21.2778","0.0004","90","","101.654","0.0019","90","","3086.22","0.11","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0396","0.0297","","","0.0654","0.0692","","","","","","1.059","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572186","10.3865","0.0002","14.3825","0.0003","21.4194","0.0005","90","","102","0.002","90","","3129.79","0.12","240","0.1","240","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.05","0.0341","","","0.0741","0.0797","","","","","","1.045","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572187","10.338","0.00019","14.2897","0.0003","21.26","0.0004","90","","101.587","0.0018","90","","3076.67","0.11","140.15","0.1","140.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0396","0.0297","","","0.0664","0.0708","","","","","","1.028","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572188","10.31657","0.00018","14.2556","0.0002","21.2459","0.0004","90","","101.476","0.0017","90","","3062.15","0.09","110.01","0.1","110.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0389","0.0308","","","0.0733","0.077","","","","","","1.041","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572189","10.3238","0.00019","14.2662","0.0002","21.2517","0.0004","90","","101.523","0.0018","90","","3066.89","0.09","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0376","0.0289","","","0.066","0.0697","","","","","","1.04","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572190","10.399","0.0003","14.3997","0.0004","21.4703","0.0006","90","","102.143","0.003","90","","3143.08","0.16","260","0.1","260","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0558","0.0373","","","0.0812","0.088","","","","","","1.044","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572191","9.3436","0.0001","15.2429","0.0002","16.3815","0.0001","90","","98.51","0.001","90","","2307.42","0.04","100","0.2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Dy N -","- C26 H38 Dy N -","- C104 H152 Dy4 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","","1.54184","CuKα","","0.0337","0.0306","","","0.0829","0.0849","","","","","","1.073","","","","has coordinates","294477","2024-09-05","23:50:13",""
"1572192","10.33049","0.00019","14.2778","0.0002","21.2557","0.0004","90","","101.553","0.0018","90","","3071.63","0.09","130.15","0.1","130.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0394","0.0297","","","0.0661","0.0704","","","","","","1.032","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572193","10.3697","0.0002","14.3573","0.0003","21.3576","0.0005","90","","101.856","0.002","90","","3111.91","0.12","210","0.1","210","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0457","0.0331","","","0.0727","0.0773","","","","","","1.051","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572194","10.3061","0.0001","14.2414","0.0002","21.2495","0.0004","90","","101.465","0.002","90","","3056.63","0.08","100","0.2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 I4 N Y -","- C25 H32 Cl2 I4 N Y -","- C100 H128 Cl8 I16 N4 Y4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","","1.54184","CuKα","","0.0646","0.0589","","","0.162","0.1699","","","","","","0.999","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572195","10.3816","0.0002","14.3751","0.0003","21.3967","0.0005","90","","101.96","0.002","90","","3123.85","0.12","230","0.1","230","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0486","0.0339","","","0.0746","0.0802","","","","","","1.055","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572196","10.3396","0.0002","14.3064","0.0003","21.2014","0.0004","90","","101.314","0.002","90","","3075.22","0.11","99.8","0.6","99.8","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Gd I4 N -","- C25 H32 Cl2 Gd I4 N -","- C100 H128 Cl8 Gd4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0375","0.0301","","","0.0686","0.0719","","","","","","1.065","","","","has coordinates","294477","2024-09-05","23:50:13",""
"1572197","10.3772","0.0002","14.3687","0.0003","21.3762","0.0005","90","","101.907","0.002","90","","3118.76","0.12","220","0.1","220","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0467","0.0334","","","0.0743","0.0792","","","","","","1.054","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572198","10.344","0.0002","14.3003","0.0003","21.2652","0.0004","90","","101.627","0.0019","90","","3081.05","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0384","0.0293","","","0.0648","0.0682","","","","","","1.05","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572199","9.3429","0.00006","15.24462","0.00011","16.36886","0.00011","90","","98.4832","0.0006","90","","2305.89","0.03","100","0.1","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N Y -","- C26 H38 N Y -","- C104 H152 N4 Y4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","","1.54184","CuKα","","0.0276","0.0257","","","0.0673","0.0686","","","","","","1.0251","","","","has coordinates","294477","2024-09-05","23:50:13",""
"1572200","8.9799","0.0003","8.8926","0.0003","15.2066","0.0004","90","","105.554","0.003","90","","1169.85","0.07","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 B3 N -","- C9 H20 B3 N -","- C36 H80 B12 N4 -","4","1","","Fan, Zi-Heng; Kang, Jia-Xin; Jia, Sihan; Pan, Qiao-Jing; Cao, Lei; Chen, Xi-Meng; Xu, Cong-Qiao; Ma, Yan-Na; Chen, Xuenian","Triborane (B<sub>3</sub>H<sub>7</sub>)-mediated regioselective substitution reactions of pyridine derivatives.","Chemical science","2024","15","34","13923","13929","10.1039/d4sc03109a","","x-ray","1.54184","CuKα","","0.0534","0.0475","","","0.1362","0.1423","","","","","","1.095","","","","has coordinates,has disorder","294495","2024-09-05","23:58:30",""
"1572201","13.9099","0.0008","8.0101","0.0004","14.4607","0.0008","90","","90","","90","","1611.21","0.15","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H12 B3 N -","- C5 H12 B3 N -","- C40 H96 B24 N8 -","8","1","","Fan, Zi-Heng; Kang, Jia-Xin; Jia, Sihan; Pan, Qiao-Jing; Cao, Lei; Chen, Xi-Meng; Xu, Cong-Qiao; Ma, Yan-Na; Chen, Xuenian","Triborane (B<sub>3</sub>H<sub>7</sub>)-mediated regioselective substitution reactions of pyridine derivatives.","Chemical science","2024","15","34","13923","13929","10.1039/d4sc03109a","","x-ray","1.54184","CuKα","","0.0732","0.0546","","","0.139","0.1744","","","","","","1.141","","","","has coordinates","294495","2024-09-05","23:58:30",""
"1572203","8.2817","0.0006","12.1775","0.0011","24.094","0.002","90","","94.072","0.003","90","","2423.8","0.3","297","2","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 F2 N -","- C30 H27 F2 N -","- C120 H108 F8 N4 -","4","1","","Zhu, Yulei; Jia, Jie; Song, Xiangyu; Gong, Chunyu; Xia, Ying","Double strain-release enables formal C-O/C-F and C-N/C-F ring-opening metathesis.","Chemical science","2024","15","34","13800","13806","10.1039/d4sc03624g","","","0.71073","MoKα","","0.1264","0.0566","","","0.1308","0.1694","","","","","","1.013","","","","has coordinates","294497","2024-09-05","23:58:47",""
"1572207","12.7167","0.0003","30.5644","0.0008","12.3609","0.0003","90","","90.013","0.0013","90","","4804.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 N P Si2 -","- C21 H42 N P Si2 -","- C168 H336 N8 P8 Si16 -","8","2","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0577","0.049","","","0.1227","0.1277","","","","","","1.04","","","","has coordinates,has disorder","295192","2024-10-06","07:07:53",""
"1572208","10.2065","0.0003","19.2905","0.0005","11.5732","0.0003","90","","96.0698","0.001","90","","2265.86","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 N O P Si2 -","- C18 H38 N O P Si2 -","- C72 H152 N4 O4 P4 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0418","0.0364","","","0.0901","0.0933","","","","","","1.082","","","","has coordinates,has disorder","295192","2024-10-06","07:07:55",""
"1572209","15.9762","0.001","12.1459","0.0008","16.1325","0.001","90","","111.399","0.0012","90","","2914.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Cl4 Ga Ge N P Si2 -","- C18 H39 Cl4 Ga Ge N P Si2 -","- C72 H156 Cl16 Ga4 Ge4 N4 P4 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0298","0.0221","","","0.0546","0.0579","","","","","","1.02","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572210","9.8664","0.0004","10.8301","0.0005","13.2382","0.0005","83.1135","0.0016","86.3992","0.0016","69.5125","0.0016","1315.19","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 N P Si2 -","- C24 H46 N P Si2 -","- C48 H92 N2 P2 Si4 -","2","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0428","0.0345","","","0.0824","0.0862","","","","","","1.059","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572211","12.4246","0.0009","18.0809","0.0013","10.2515","0.0007","90","","90","","90","","2303","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H38 Ge N P Si2 -","- C18 H38 Ge N P Si2 -","- C72 H152 Ge4 N4 P4 Si8 -","4","0.5","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0191","0.0173","","","0.0498","0.0505","","","","","","1.076","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572212","12.0024","0.0009","11.8358","0.0009","23.4871","0.0018","90","","99.704","0.003","90","","3288.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H51 F6 Ge N P Sb Si2 -","- C24 H51 F6 Ge N P Sb Si2 -","- C96 H204 F24 Ge4 N4 P4 Sb4 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0404","0.0328","","","0.0864","0.0902","","","","","","1.033","","","","has coordinates,has disorder","295192","2024-10-06","07:07:55",""
"1572213","11.0704","0.0003","12.4659","0.0003","21.05","0.0006","90","","101.041","0.0011","90","","2851.18","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 Ge N2 Si2 -","- C25 H48 Ge N2 Si2 -","- C100 H192 Ge4 N8 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0268","0.0209","","","0.0548","0.0573","","","","","","1.057","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572214","19.5323","0.0004","19.5323","0.0004","29.2601","0.0006","90","","90","","120","","9667.5","0.3","297","2","297","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H102 B60 Cu14 N6 O8 S12 -","- C30 H102 B60 Cu14 N6 O8 S12 -","- C90 H306 B180 Cu42 N18 O24 S36 -","3","0.166667","","Jana, Arijit; Duary, Subrata; Das, Amitabha; Kini, Amoghavarsha Ramachandra; Acharya, Swetashree; Machacek, Jan; Pathak, Biswarup; Base, Tomas; Pradeep, Thalappil","Multicolor photoluminescence of Cu<sub>14</sub> clusters modulated using surface ligands.","Chemical science","2024","15","34","13741","13752","10.1039/d4sc01566e","","","0.71073","MoKα","","0.085","0.056","","","0.1588","0.1835","","","","","","1.04","","","","has coordinates,has disorder","294502","2024-09-06","00:00:36",""
"1572215","12.5483","0.0003","11.9429","0.0003","15.1906","0.0005","90","","102.609","0.003","90","","2221.61","0.11","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H6 F20 N4 O3 S -","- C42 H6 F20 N4 O3 S -","- C84 H12 F40 N8 O6 S2 -","2","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.1016","0.096","","","0.2356","0.2393","","","","","","1.063","","","","has coordinates,has disorder","294493","2024-09-05","23:57:58",""
"1572216","15.425","0.0006","7.9625","0.0003","17.8492","0.0008","90","","109.055","0.004","90","","2072.14","0.15","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H6 F20 N4 O3 S -","- C42 H6 F20 N4 O3 S -","- C84 H12 F40 N8 O6 S2 -","2","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0845","0.0534","","","0.1191","0.1299","","","","","","1.032","","","","has coordinates,has disorder","294493","2024-09-05","23:57:58",""
"1572217","11.9737","0.0002","16.1898","0.0003","22.2877","0.0003","90","","90","","90","","4320.51","0.12","179.99","0.1","179.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H12 F20 N6 O2 S2 -","- C46 H12 F20 N6 O2 S2 -","- C184 H48 F80 N24 O8 S8 -","4","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0622","0.0498","","","0.1439","0.152","","","","","","1.034","","","","has coordinates","294493","2024-09-05","23:57:58",""
"1572218","12.3899","0.0001","12.3899","0.0001","27.31","0.0004","90","","90","","90","","4192.35","0.08","180","0.1","180","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C42 H6 F20 N4 O2 S2 -","- C42 H6 F20 N4 O2 S2 -","- C168 H24 F80 N16 O8 S8 -","4","0.25","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0562","0.0502","","","0.1405","0.1445","","","","","","1.033","","","","has coordinates","294493","2024-09-05","23:57:58",""
"1572219","10.1581","0.0008","15.8205","0.0013","18.1159","0.0015","90","","90.355","0.003","90","","2911.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl6 N6 O6 S2 -","- C58 H56 Cl6 N6 O6 S2 -","- C116 H112 Cl12 N12 O12 S4 -","2","0.5","","Cutillas-Font, Guillermo; Pastor, Aurelia; Alajarin, Mateo; Martinez-Cuezva, Alberto; Marin-Luna, Marta; Batanero, Belen; Berna, Jose","Mechanical insulation of aza-Pechmann dyes within [2]rotaxanes.","Chemical science","2024","15","34","13823","13831","10.1039/d4sc03657c","","","0.71073","MoKα","","0.0774","0.0519","","","0.1296","0.1547","","","","","","1.08","","","","has coordinates","294494","2024-09-05","23:58:17",""
"1572220","14.549","0.005","14.378","0.005","30.473","0.01","90","","99.854","0.014","90","","6280","4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H86 N6 O6 S2 -","- C72 H86 N6 O6 S2 -","- C288 H344 N24 O24 S8 -","4","1","","Cutillas-Font, Guillermo; Pastor, Aurelia; Alajarin, Mateo; Martinez-Cuezva, Alberto; Marin-Luna, Marta; Batanero, Belen; Berna, Jose","Mechanical insulation of aza-Pechmann dyes within [2]rotaxanes.","Chemical science","2024","15","34","13823","13831","10.1039/d4sc03657c","","","0.71073","MoKα","","0.1174","0.0666","","","0.165","0.2205","","","","","","1.177","","","","has coordinates","294494","2024-09-05","23:58:17",""
"1572221","8.411","0.0005","9.8534","0.0007","9.884","0.0011","68.488","0.009","74.848","0.007","85.152","0.005","735.54","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4HgGa9S16Cl","","","- Cd Cl Ga9 K4 S16 -","- Cl Ga9 K4 Mn S16 -","- Cl Ga9 K4 Mn S16 -","1","1","","Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.","Chemical science","2024","15","34","13753","13759","10.1039/d4sc04018j","","","0.71073","MoKα","","0.0396","0.0373","","","0.0905","0.0915","","","","","","1.002","","","","has coordinates","294496","2024-09-05","23:58:38",""
"1572222","8.4316","0.0003","9.8787","0.0004","9.8986","0.0004","68.22","0.004","74.878","0.003","84.986","0.003","739.08","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4HgGa9S16Cl","","","- Cl Ga9 Hg K4 S16 -","- Cl Ga9 Hg K4 S16 -","- Cl Ga9 Hg K4 S16 -","1","1","","Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.","Chemical science","2024","15","34","13753","13759","10.1039/d4sc04018j","","","0.71073","MoKα","","0.0541","0.0486","","","0.1129","0.1154","","","","","","1","","","","has coordinates","294496","2024-09-05","23:58:39",""
"1572226","17.095","0.002","10.0218","0.001","7.0974","0.0008","90","","99.333","0.01","90","","1199.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cd Cl2 N -","- C13 H9 Cd Cl2 N -","- C52 H36 Cd4 Cl8 N4 -","4","1","","Yang, Xiao-Gang; Chen, Ying-Jun; Yin, Pei-Pei; Li, Yan; Yang, Shu-Yao; Li, Yi-Man; Ma, Lu-Fang","Low thermal quenching of metal halide-based metal-organic framework phosphor for light-emitting diodes.","Chemical science","2024","15","35","14202","14208","10.1039/d4sc04228j","","x-ray","0.71073","MoKα","","0.1147","0.0994","","","0.2296","0.2407","","","","","","1.391","","","","has coordinates","295195","2024-10-06","07:10:55",""
"1572238","8.0277","0.0005","10.4982","0.0004","22.0586","0.0011","90","","90","","90","","1859.02","0.16","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H12 Br2 O S -","- C22 H12 Br2 O S -","- C88 H48 Br8 O4 S4 -","4","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","","0.71073","MoKα","","0.0856","0.0529","","","0.106","0.1236","","","","","","1.071","","","","has coordinates","295196","2024-10-06","07:11:08",""
"1572239","12.4762","0.0008","12.4762","0.0008","9.5066","0.0006","90","","90","","120","","1281.51","0.14","200","0.1","200","0.1","","","","","","","","5","P 32","P 32","145","","","","- C20 H11 Br O S2 -","- C20 H11 Br O S2 -","- C60 H33 Br3 O3 S6 -","3","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0703","0.0457","","","0.0656","0.0774","","","","","","0.997","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572240","9.0211","0.0004","8.9321","0.0003","11.4528","0.0006","90","","113.132","0.006","90","","848.64","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H13 Br O S -","- C22 H13 Br O S -","- C44 H26 Br2 O2 S2 -","2","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0431","0.0347","","","0.0781","0.0834","","","","","","1.077","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572241","13.1561","0.0006","10.0689","0.0003","15.4836","0.0007","90","","109.024","0.005","90","","1939.05","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H24 Br4 O6 S4 -","- C42 H24 Br4 O6 S4 -","- C84 H48 Br8 O12 S8 -","2","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0687","0.0405","","","0.0608","0.0734","","","","","","1.023","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572242","7.4965","0.0003","19.112","0.0007","11.7078","0.0004","90","","96.131","0.004","90","","1667.82","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H11 Br O S2 -","- C20 H11 Br O S2 -","- C80 H44 Br4 O4 S8 -","4","2","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0708","0.044","","","0.0946","0.1082","","","","","","1.03","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572243","16.7347","0.0004","32.9396","0.0006","9.1702","0.0002","90","","94.685","0.002","90","","5038.04","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H18 N4 O -","- C33 H18 N4 O -","- C264 H144 N32 O8 -","8","2","","Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong","Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.","Chemical science","2024","15","36","14651","14659","10.1039/d4sc03667k","","x-ray","1.54178","CuKα","","0.0743","0.0458","","","0.1134","0.13","","","","","","0.964","","","","has coordinates","295184","2024-10-06","07:03:27",""
"1572244","5.8302","0.0007","15.5059","0.0015","33.206","0.003","90","","90","","90","","3001.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Cl3 N4 -","- C38 H25 Cl3 N4 -","- C152 H100 Cl12 N16 -","4","1","","Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong","Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.","Chemical science","2024","15","36","14651","14659","10.1039/d4sc03667k","","x-ray","1.54178","CuKα","","0.057","0.0478","","","0.1154","0.1219","","","","","","1.03","","","","has coordinates","295184","2024-10-06","07:03:27",""
"1572245","8.5144","0.0008","25.961","0.003","16.1272","0.0016","90","","101.375","0.005","90","","3494.8","0.6","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SAF-2NP","","- C47 H35 N5 O -","- C47 H35 N5 O -","- C188 H140 N20 O4 -","4","1","","Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong","Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.","Chemical science","2024","15","36","14651","14659","10.1039/d4sc03667k","","","1.54178","CuKα","","0.0492","0.0413","","","0.1055","0.1113","","","","","","1.034","","","","has coordinates","295184","2024-10-06","07:03:28",""
"1572252","11.487","0.004","16.971","0.004","22.1","0.006","70.281","0.019","86.57","0.02","84.97","0.02","4038","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(tetrahydrofuran)lithium tetrakis(o-tolyl)vanadate","","- C44 H59.5 Li O4 V -","- C44 H59.5 Li O4 V -","- C176 H238 Li4 O16 V4 -","4","2","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","1.54186","CuKα","","0.0899","0.0589","","","0.1615","0.1799","","","","","","1.019","","","","has coordinates,has disorder","294500","2024-09-06","00:00:05",""
"1572253","11.849","0.0002","11.849","0.0002","7.8931","0.0003","90","","90","","90","","1108.18","0.05","100","","100","","","","","","","","","3","P -4 21 c","P -4 2n","114","","tetra(o-tolyl)molybdenum","","- C28 H28 Mo -","- C28 H28 Mo -","- C56 H56 Mo2 -","2","0.25","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","","0.71073","MoKα","","0.0505","0.0365","","","0.0843","0.0917","","","","","","1.127","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572254","10.4242","0.0013","21.275","0.002","20.498","0.003","90","","104.574","0.01","90","","4399.7","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(12-crown-4)lithium tetrakis(trimethylsilylmethyl)aluminate","","- C32 H76 Al Li O8 Si4 -","- C32 H76 Al Li O8 Si4 -","- C128 H304 Al4 Li4 O32 Si16 -","4","1","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","1.54186","CuKα","","0.0463","0.0271","","","0.0584","0.0632","","","","","","0.892","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572255","10.4055","0.0002","21.3852","0.0003","20.4877","0.0004","90","","104.167","0.002","90","","4420.34","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(12-crown-4)lithium tetrakis(trimethylsilylmethyl)vanadate","","- C32 H76 Li O8 Si4 V -","- C32 H76 Li O8 Si4 V -","- C128 H304 Li4 O32 Si16 V4 -","4","1","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","0.71073","MoKα","","0.0438","0.0322","","","0.0787","0.0828","","","","","","1.058","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572256","11.461","0.006","16.903","0.011","22.031","0.01","70.41","0.04","86.22","0.04","85.05","0.05","4003","4","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(tetrahydrofuran)lithium tetrakis(o-tolyl)aluminate","","- C44 H60 Al Li O4 -","- C44 H60 Al Li O4 -","- C176 H240 Al4 Li4 O16 -","4","2","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","1.54186","CuKα","","0.0861","0.0432","","","0.0949","0.1026","","","","","","0.787","","","","has coordinates,has disorder","294500","2024-09-06","00:00:05",""
"1572257","12.8634","0.0003","23.6728","0.0007","8.7931","0.0003","90","","99.616","0.003","90","","2639.99","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(S)-(2,3,4,5,6-pentamethylphenyl)(2-phenyl-3-(4-phenylpiperazin-1-yl)cyclopent-1-en-1-yl)methanone","","- C33 H38 N2 O -","- C33 H38 N2 O -","- C132 H152 N8 O4 -","4","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0521","0.0457","","","0.1164","0.1222","","","","","","1.075","","","","has coordinates","295198","2024-10-06","07:11:46",""
"1572258","9.0547","0.0002","10.15893","0.00015","20.61","0.0003","103.784","0.0013","96.8936","0.0018","92.54","0.0016","1822.69","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(Z)-3-cyclopropyl-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-one","","- C46 H52 O2 -","- C46 H52 O2 -","- C92 H104 O4 -","2","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0518","0.0488","","","0.1357","0.1388","","","","","","1.054","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572259","8.03845","0.00007","13.58231","0.00012","16.53779","0.00014","90","","90","","90","","1805.61","0.03","100.4","0.9","100.4","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2,3,4,5,6-pentamethylphenyl)(2-phenylcyclopent-1-en-1-yl)methanone","","- C23 H26 O -","- C23 H26 O -","- C92 H104 O4 -","4","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0366","0.0361","","","0.0965","0.097","","","","","","1.027","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572260","16.63527","0.00013","10.0528","0.00009","21.90982","0.00017","90","","90","","90","","3664","0.05","99.99","0.1","99.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(S)-3-cyclopropyl-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropan-1-one","","- C23 H28 O -","- C23 H28 O -","- C184 H224 O8 -","8","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0474","0.0458","","","0.1261","0.1277","","","","","","1.05","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572261","14.2175","0.0007","14.873","0.0005","18.6528","0.0007","91.655","0.003","103.113","0.004","95.397","0.003","3819.3","0.3","99.95","0.13","99.95","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I La N2 -","- C86 H116 I La N2 -","- C172 H232 I2 La2 N4 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0619","0.0381","","","0.071","0.0804","","","","","","1.024","","","","has coordinates,has disorder","295169","2024-10-06","06:54:35",""
"1572262","22.4535","0.0003","16.0659","0.0002","20.2346","0.0002","90","","106.378","0.0013","90","","7003.14","0.15","99.97","0.1","99.97","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C78 H115 Eu N2 O1.5 -","- C78 H115 Eu N2 O1.5 -","- C312 H460 Eu4 N8 O6 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0422","0.0399","","","0.1034","0.1046","","","","","","1.063","","","","has coordinates,has disorder","295169","2024-10-06","06:54:43",""
"1572263","13.3508","0.0001","24.2551","0.0002","21.4353","0.0002","90","","96.728","0.001","90","","6893.48","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 N2 O Sm -","- C76 H110 N2 O Sm -","- C304 H440 N8 O4 Sm4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0454","0.0376","","","0.092","0.0954","","","","","","1.083","","","","has coordinates,has disorder","295169","2024-10-06","06:54:44",""
"1572264","13.2755","0.0002","24.2918","0.0003","21.4153","0.0003","90","","96.7512","0.0015","90","","6858.24","0.17","99.98","0.11","99.98","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 La N2 O -","- C76 H110 La N2 O -","- C304 H440 La4 N8 O4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0477","0.0451","","","0.1151","0.1164","","","","","","1.128","","","","has coordinates,has disorder","295169","2024-10-06","06:54:53",""
"1572265","13.8471","0.0003","15.1748","0.0003","19.2531","0.0003","90.1824","0.0014","110.29","0.0017","92.5177","0.0016","3790.18","0.13","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Tm -","- C86 H116 I N2 Tm -","- C172 H232 I2 N4 Tm2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0398","0.0373","","","0.1018","0.1033","","","","","","1.108","","","","has coordinates,has disorder","295169","2024-10-06","06:55:01",""
"1572266","18.0918","0.0003","16.7202","0.0003","23.1781","0.0004","90","","107.804","0.0019","90","","6675.6","0.2","100.01","0.13","100.01","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H110 N2 O Y -","- C76 H110 N2 O Y -","- C304 H440 N8 O4 Y4 -","4","0.5","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0349","0.033","","","0.0869","0.0879","","","","","","1.091","","","","has coordinates","295169","2024-10-06","06:55:02",""
"1572267","22.4353","0.0002","16.0693","0.0001","20.0264","0.0001","90","","106.494","0.001","90","","6922.81","0.09","99","6","99","6","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C78 H115 N2 O1.5 Yb -","- C78 H115 N2 O1.5 Yb -","- C312 H460 N8 O6 Yb4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0427","0.0413","","","0.1016","0.1022","","","","","","1.13","","","","has coordinates,has disorder","295169","2024-10-06","06:55:11",""
"1572268","12.8855","0.0003","13.5895","0.0004","20.8228","0.0004","75.703","0.002","89.2794","0.0016","62.71","0.002","3118.51","0.15","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C72 H100 N2 Sc -","- C72 H100 N2 Sc -","- C144 H200 N4 Sc2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1046","0.1063","","","","","","1.116","","","","has coordinates,has disorder","295169","2024-10-06","06:55:12",""
"1572269","13.7201","0.0003","15.2477","0.0004","19.153","0.0004","89.686","0.002","70.204","0.002","87.286","0.002","3765.56","0.16","100.01","0.13","100.01","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Sc -","- C86 H116 I N2 Sc -","- C172 H232 I2 N4 Sc2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0328","0.0319","","","0.0883","0.0889","","","","","","1.143","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572270","14.2996","0.0002","15.6187","0.0002","32.542","0.0005","90","","97.0977","0.0013","90","","7212.27","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H114 I La N2 -","- C78 H114 I La N2 -","- C312 H456 I4 La4 N8 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0442","0.0312","","","0.067","0.0705","","","","","","1.045","","","","has coordinates","295169","2024-10-06","06:55:14",""
"1572271","13.8601","0.0004","15.1451","0.0004","19.2635","0.0005","90.423","0.002","110.358","0.002","92.402","0.002","3786.7","0.18","100","0.8","100","0.8","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Y -","- C86 H116 I N2 Y -","- C172 H232 I2 N4 Y2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0663","0.0393","","","0.0807","0.0876","","","","","","1.007","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572272","11.91","0.0001","18.0916","0.0001","29.8982","0.0002","90","","95.943","0.001","90","","6407.57","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H100 N2 -","- C72 H100 N2 -","- C288 H400 N8 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.1081","0.0947","","","0.2741","0.2875","","","","","","1.063","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572273","13.1863","0.0002","24.2869","0.0003","21.3806","0.0003","90","","95.8291","0.0015","90","","6811.82","0.16","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 N2 O Tm -","- C76 H110 N2 O Tm -","- C304 H440 N8 O4 Tm4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0362","0.0318","","","0.0801","0.0823","","","","","","1.074","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572274","14.7959","0.0001","23.5264","0.0002","19.4313","0.0001","90","","97.291","0.001","90","","6709.23","0.08","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75 H107 I N2 Y -","- C75 H107 I N2 Y -","- C300 H428 I4 N8 Y4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0404","0.0355","","","0.0913","0.0935","","","","","","1.103","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572275","13.845","0.0003","15.1906","0.0003","19.2184","0.0003","90.204","0.0015","110.285","0.0016","92.515","0.0016","3786.81","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Yb -","- C86 H116 I N2 Yb -","- C172 H232 I2 N4 Yb2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0418","0.0295","","","0.0605","0.0637","","","","","","1.019","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572276","13.331","0.004","3.9432","0.0011","16.631","0.005","90","","108.334","0.007","90","","829.9","0.4","100.01","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 B2 Cl2 -","- C22 H14 B2 Cl2 -","- C44 H28 B4 Cl4 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.0947","0.0501","","","0.1177","0.1385","","","","","","1.018","","","","has coordinates","295193","2024-10-06","07:09:59",""
"1572277","12.3947","0.0008","12.5964","0.0008","19.1553","0.0012","79.135","0.002","72.923","0.002","89.308","0.002","2804.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","FBP-sIPr cation BARF","","","- C110 H82 B4 Cl4 F47.95 N4 -","- C110 H82 B4 Cl4 F47.952 N4 -","- C110 H82 B4 Cl4 F47.952 N4 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.0625","0.0529","","","0.1393","0.1492","","","","","","1.035","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572278","11.2159","0.0011","11.9173","0.0012","15.0102","0.0016","90","","90.326","0.003","90","","2006.3","0.4","99.98","","99.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B2 Cl2 N4 -","- C44 H54 B2 Cl2 N4 -","- C88 H108 B4 Cl4 N8 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","","0.0536","0.0386","","","0.0958","0.1038","","","","","","1.028","","","","has coordinates","295193","2024-10-06","07:10:00",""
"1572279","14.964","0.0006","11.9337","0.0005","21.9364","0.0009","90","","101.645","0.003","90","","3836.7","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 B2 Cl4 F12 N4 O8 S4 -","- C72 H88 B2 Cl4 F12 N4 O8 S4 -","- C144 H176 B4 Cl8 F24 N8 O16 S8 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","1.54178","CuKα","","0.1015","0.0625","","","0.1482","0.1706","","","","","","1.023","","","","has coordinates","295193","2024-10-06","07:10:00",""
"1572280","10.1202","0.0005","17.0454","0.0008","19.6957","0.0011","95.587","0.004","96.221","0.004","90.244","0.004","3361.1","0.3","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","WJS-5","","","- C159 H180 B4 Cl4 N8 -","- C159 H180 B4 Cl4 N8 -","- C159 H180 B4 Cl4 N8 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","1.54178","CuKα","","0.0913","0.0561","","","0.1306","0.1507","","","","","","1.008","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572281","24.7297","0.0012","18.7599","0.0008","15.6595","0.0007","90","","97.779","0.002","90","","7198","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H58 B Cl N O2 -","- C41 H58 B Cl N O2 -","- C328 H464 B8 Cl8 N8 O16 -","8","1","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","K-L~3~","0.0825","0.0611","","","0.1666","0.1917","","","","","","1.05","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572282","11.0428","0.0005","16.5514","0.0008","19.2623","0.0008","77.797","0.002","84.084","0.002","73.633","0.002","3298.1","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C140 H114 B4 F48 N8 O2 -","- C139.998 H114 B4 F47.994 N8 O2 -","- C139.998 H114 B4 F47.994 N8 O2 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.1138","0.0629","","","0.1383","0.1654","","","","","","0.947","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572283","16.7454","0.0005","27.4896","0.0009","21.7003","0.0006","90","","112.131","0.001","90","","9253.2","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","FBP-IPr2+ NTF2","","","- C83.99 H94 B2 Cl8 F11.99 N6 O7.99 S3.99 -","- C83.99 H94 B2 Cl8 F11.97 N5.995 O7.98 S3.99 -","- C335.96 H376 B8 Cl32 F47.88 N23.98 O31.92 S15.96 -","4","1","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.1056","0.0677","","","0.1661","0.1908","","","","","","1.03","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572284","12.5802","0.0015","13.142","0.0016","19.744","0.002","85.418","0.002","79.658","0.002","73.127","0.002","3071.6","0.6","100.03","","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H54 B2 F24.01 N -","- C65 H54 B2 F24.003 N -","- C130 H108 B4 F48.006 N2 -","2","1","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","K-L~3~","0.0858","0.0516","","","0.1239","0.144","","","","","","1.021","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572285","13.601","0.003","23.955","0.006","21.06","0.004","90","","96.006","0.006","90","","6824","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FBP-IPr dication BARF","","","- C142 H114 B4 Cl4 F48.03 N4 -","- C142 H114 B4 Cl4 F47.988 N4 -","- C284 H228 B8 Cl8 F95.976 N8 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.1282","0.064","","","0.1207","0.143","","","","","","1.008","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572286","8.9168","0.0004","9.3168","0.0004","18.6398","0.0007","96.753","0.001","92.366","0.001","95.831","0.001","1527.6","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H58 B2 Cl4 F12 N8 O8 S4 -","- C50 H58 B2 Cl4 F12 N8 O8 S4 -","- C50 H58 B2 Cl4 F12 N8 O8 S4 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","","0.087","0.0809","","","0.2826","0.2909","","","","","","2.583","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572287","13.2079","0.0005","15.4895","0.0006","19.1541","0.0006","80.403","0.001","84.517","0.001","72.088","0.001","3672.4","0.2","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C163 H104 B4 Cl6 F48 P4 -","- C163 H104 B4 Cl6 F48 P4 -","- C163 H104 B4 Cl6 F48 P4 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","","0.0546","0.0473","","","0.1283","0.1342","","","","","","1.0424","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572301","6.0617","0.0002","11.9065","0.0003","14.3836","0.0004","113.136","0.001","99.6","0.001","90.492","0.001","938.11","0.05","150","","150","","","","","","","","","3","P -1","-P 1","2","","(Z)-(4-benzylidene-2-oxabicyclo[4.1.1]octan-6-yl)(naphthalen-2-yl)methanone","","- C25 H22 O2 -","- C25 H22 O2 -","- C50 H44 O4 -","2","1","","Gao, Xin-Yu; Tang, Lei; Zhang, Xu; Feng, Jian-Jun","Palladium-catalyzed decarboxylative (4 + 3) cycloadditions of bicyclobutanes with 2-alkylidenetrimethylene carbonates for the synthesis of 2-oxabicyclo[4.1.1]octanes.","Chemical science","2024","15","34","13942","13948","10.1039/d4sc02998d","","","1.54178","CuKα","","0.0517","0.0355","","","0.093","0.0958","","","","","","1.074","","","","has coordinates","294491","2024-09-05","23:57:25",""
"1572302","16.6654","0.0017","38.187","0.004","29.129","0.003","90","","93.15","0.007","90","","18510","3","193","","193","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","I 1 2/a 1","-I 2ya","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C68 H36 N6 O4 -","- C68 H36 N6 O4 -","- C816 H432 N72 O48 -","12","1.5","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","x-ray","1.34139","GaKα","","0.2026","0.1469","","","0.3193","0.3485","","","","","","1.163","","","","has coordinates","295197","2024-10-06","07:11:27",""
"1572303","11.685","0.003","30.037","0.008","16.64","0.004","90","","109.381","0.008","90","","5509","2","150","","150","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","C 1 2/c 1","-C 2yc","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C68 H36 N6 O4 -","- C68 H36 N6 O4 -","- C272 H144 N24 O16 -","4","0.5","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","","1.34139","GaKα","","0.0882","0.0636","","","0.1858","0.2019","","","","","","1.073","","","","has coordinates","295197","2024-10-06","07:11:29",""
"1572304","11.6021","0.0019","30.046","0.004","16.575","0.002","90","","108.819","0.009","90","","5469.1","1.4","193","","193","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","C 1 2/c 1","-C 2yc","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C70 H40 N6 O4 -","- C70 H40 N6 O4 -","- C280 H160 N24 O16 -","4","0.5","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","x-ray","1.34139","GaKα","","0.174","0.1105","","","0.2831","0.3232","","","","","","1.053","","","","has coordinates,has disorder","295197","2024-10-06","07:11:29",""
"1572305","11.729","0.003","30.677","0.009","16.645","0.004","90","","109.751","0.01","90","","5637","3","275","","275","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","C 1 2/c 1","-C 2yc","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C143 H86 N12 O8 -","- C143 H86 N12 O8 -","- C286 H172 N24 O16 -","2","0.25","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","x-ray","1.34139","GaKα","","0.1183","0.0942","","","0.2587","0.2843","","","","","","1.013","","","","has coordinates,has disorder","295197","2024-10-06","07:11:29",""
"1572309","11.1573","0.0005","15.764","0.0009","20.1788","0.001","77.015","0.005","77.796","0.004","81.704","0.004","3362.7","0.3","150.01","0.19","150.01","0.19","","","","","","","","6","P -1","-P 1","2","","","","- C39 H17 B F10 N2 O2 -","- C39 H17 B F10 N2 O2 -","- C156 H68 B4 F40 N8 O8 -","4","2","","Cao, Yangyang; Xu, Zhenzhen; Zhao, Xinyuqi; Yang, Yong; Liu, Haoran; Wang, Pingyang; Yu, Miao; Li, Hao; Fu, Hongbing","Reversible switching from fluorescence to room temperature phosphorescence amplified by exciton-vibration coupling through pressure-induced tiny packing changes.","Chemical science","2024","15","34","13930","13936","10.1039/d4sc02867h","","x-ray","0.71073","MoKα","","0.0655","0.0449","","","0.1017","0.115","","","","","","1.024","","","","has coordinates","294498","2024-09-05","23:58:59",""
"1572310","10.9213","0.0003","15.6626","0.0004","20.1705","0.0006","77.832","0.002","78.451","0.002","82.208","0.002","3288.74","0.16","99.9","0.3","99.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C39 H17 B F10 N2 O2 -","- C39 H17 B F10 N2 O2 -","- C156 H68 B4 F40 N8 O8 -","4","2","","Cao, Yangyang; Xu, Zhenzhen; Zhao, Xinyuqi; Yang, Yong; Liu, Haoran; Wang, Pingyang; Yu, Miao; Li, Hao; Fu, Hongbing","Reversible switching from fluorescence to room temperature phosphorescence amplified by exciton-vibration coupling through pressure-induced tiny packing changes.","Chemical science","2024","15","34","13930","13936","10.1039/d4sc02867h","","x-ray","1.54184","CuKα","","0.1162","0.1055","","","0.2766","0.2805","","","","","","1.1","","","","has coordinates","294498","2024-09-05","23:58:59",""
"1572319","12.3035","0.0004","23.9565","0.0005","12.4053","0.0004","90","","118.757","0.004","90","","3205.5","0.2","100","","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H37 B K3 N6 O57 P2 W11 -","- C18 H29 B K3 N6 O53 P2 W11 -","- C36 H58 B2 K6 N12 O106 P4 W22 -","2","1","","Tsang, Nicole; Kibler, Alexander J.; Argent, Stephen P.; Lam, Hon Wai; Jones, Kieran D.; Newton, Graham N.","Organofunctionalized borotungstate polyoxometalates as tunable photocatalysts for oxidative dimerization of amines.","Chemical science","2024","15","36","14685","14691","10.1039/d4sc03534h","","x-ray","0.6889","synchrotron","","0.051","0.0498","","","0.1167","0.1175","","","","","","1.044","","","","has coordinates,has disorder","295185","2024-10-06","07:03:53",""
"1572320","12.186","","23.1617","0.0001","23.1375","0.0001","90","","97.73","","90","","6471.18","0.04","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18.88 H33.89 As1.98 B K3 N7 O55.99 W11.01 -","- C18.928 H31.928 As1.976 B K3 N7 O55.737 W11.012 -","- C75.712 H127.712 As7.904 B4 K12 N28 O222.948 W44.048 -","4","1","","Tsang, Nicole; Kibler, Alexander J.; Argent, Stephen P.; Lam, Hon Wai; Jones, Kieran D.; Newton, Graham N.","Organofunctionalized borotungstate polyoxometalates as tunable photocatalysts for oxidative dimerization of amines.","Chemical science","2024","15","36","14685","14691","10.1039/d4sc03534h","","","0.6889","Synchrotron","","0.0443","0.0354","","","0.0746","0.0768","","","","","","1.077","","","","has coordinates,has disorder","295185","2024-10-06","07:03:55",""
"1572321","13.9123","0.0013","14.8656","0.0013","13.084","0.001","90","","90","","90","","2706","0.4","123.15","","123.15","","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C56 H58 Br Cl6 Li N6 O4 -","- C56 H57 Br Cl6 Li N6 O4 -","- C112 H114 Br2 Cl12 Li2 N12 O8 -","2","0.5","","Heo, Nam Jung; Oh, Ju Hyun; Li, Aimin; Lee, Kyounghoon; He, Qing; Sessler, Jonathan L.; Kim, Sung Kuk","Ion pair extractant selective for LiCl and LiBr.","Chemical science","2024","15","34","13958","13965","10.1039/d4sc03760j","","","0.71073","MoKα","","0.0909","0.0681","","","0.171","0.1889","","","","","","1.027","","","","has coordinates,has disorder","294499","2024-09-05","23:59:08",""
"1572322","9.5403","0.0004","9.8557","0.0006","12.1971","0.0004","97.044","0.004","108.604","0.004","101.577","0.004","1043.07","0.09","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H32 B Bi N2 Si2 -","- C13 H32 B Bi N2 Si2 -","- C26 H64 B2 Bi2 N4 Si4 -","2","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","x-ray","1.54184","CuKα","","0.0377","0.035","","","0.0891","0.0919","","","","","","1.05","","","","has coordinates","295179","2024-10-06","07:00:14",""
"1572323","19.3792","0.0003","19.2881","0.0002","20.2475","0.0002","90","","90","","90","","7568.27","0.16","122.99","0.1","122.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H56 Bi Ga N2 Si2 -","- C33 H56 Bi Ga N2 Si2 -","- C264 H448 Bi8 Ga8 N16 Si16 -","8","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","x-ray","1.54184","CuKα","","0.0343","0.0323","","","0.0916","0.0929","","","","","","1.071","","","","has coordinates","295179","2024-10-06","07:00:15",""
"1572324","18.0837","0.0003","10.2928","0.0002","40.2707","0.0012","90","","91.9","0.002","90","","7491.5","0.3","123.01","0.1","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 B Bi N2 Si2 -","- C33 H56 B Bi N2 Si2 -","- C264 H448 B8 Bi8 N16 Si16 -","8","2","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","","0.71073","MoKα","","0.0436","0.0362","","","0.0679","0.0696","","","","","","1.168","","","","has coordinates,has disorder","295179","2024-10-06","07:00:15",""
"1572325","7.3161","0.0002","9.8444","0.0002","15.3209","0.0003","90.63","0.001","103.624","0.002","103.085","0.002","1042.14","0.04","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H30 B Bi N2 Si2 -","- C13 H30 B Bi N2 Si2 -","- C26 H60 B2 Bi2 N4 Si4 -","2","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","","1.54178","CuKα","","0.0221","0.0202","","","0.0526","0.0532","","","","","","1.09","","","","has coordinates","295179","2024-10-06","07:00:15",""
"1572326","6.4446","0.0002","8.9992","0.0006","11.3593","0.0004","99.016","0.004","92.137","0.003","109.139","0.005","611.91","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 Br2 N4 -","- C28 H30 Br2 N4 -","- C28 H30 Br2 N4 -","1","0.5","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0398","0.0383","","","0.1227","0.1232","","","","","","1.154","","","","has coordinates","295194","2024-10-06","07:10:44",""
"1572327","23.6941","0.0011","14.3036","0.0007","27.0164","0.0013","90","","101.598","0.004","90","","8969.2","0.8","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C44.1 H49.89 Br3 N6 -","- C44.097 H49.893 Br3 N6 -","- C352.776 H399.144 Br24 N48 -","8","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.1507","0.0942","","","0.2224","0.2449","","","","","","1.027","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572328","16.345","0.0007","17.4893","0.0006","26.7421","0.0011","90","","90","","90","","7644.6","0.5","100.01","0.11","100.01","0.11","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C76 H100 Br4 N8 O10 -","- C76 H100 Br4 N8 O10 -","- C304 H400 Br16 N32 O40 -","4","0.5","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.1112","0.0751","","","0.1911","0.209","","","","","","1.04","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572329","31.5459","0.0017","14.3588","0.0003","23.7813","0.0012","90","","123.99","0.008","90","","8931.5","1.1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.95 H46.9 Br3 Cl1.9 N6 -","- C42.95 H46.9 Br3 Cl1.9 N6 -","- C343.6 H375.2 Br24 Cl15.2 N48 -","8","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.1053","0.0661","","","0.15","0.1653","","","","","","1.086","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572330","14.8232","0.0007","19.6544","0.001","14.9442","0.0007","90","","92.335","0.002","90","","4350.2","0.4","149.99","","149.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43.24 H49.97 Br3 N6 O1.25 -","- C43.244 H49.976 Br3 N6 O1.244 -","- C172.976 H199.904 Br12 N24 O4.976 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","","0.71073","MoKα","","0.082","0.0546","","","0.1073","0.1204","","","","","","1.04","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572331","11.0041","0.0002","14.3125","0.0002","15.5247","0.0003","90","","109.692","0.002","90","","2302.09","0.07","100.01","0.11","100.01","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H52.65 Br3 N6 -","- C49 H52.65 Br3 N6 -","- C98 H105.3 Br6 N12 -","2","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0353","0.0303","","","0.0622","0.0634","","","","","","1.024","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572332","14.8142","0.0003","19.7153","0.0004","14.9459","0.0003","90","","92.298","0.002","90","","4361.68","0.15","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43.26 H50.05 Br3 N6 O1.26 -","- C43.262 H50.048 Br3 N6 O1.262 -","- C173.048 H200.192 Br12 N24 O5.048 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0765","0.0467","","","0.0996","0.109","","","","","","1.007","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572333","11.0644","0.0002","14.2714","0.0002","15.6724","0.0003","90","","109.809","0.002","90","","2328.31","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H55 Br3 N6 -","- C50 H55 Br3 N6 -","- C100 H110 Br6 N12 -","2","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.032","0.0271","","","0.0529","0.0541","","","","","","1.038","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572334","14.5723","0.0003","18.9659","0.0003","14.9238","0.0002","90","","91.908","0.001","90","","4122.31","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H45 Br3 N6 -","- C42 H45 Br3 N6 -","- C168 H180 Br12 N24 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.089","0.0755","","","0.1757","0.1829","","","","","","1.066","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572335","12.559","0.0004","23.3781","0.0006","16.2798","0.0005","90","","102.547","0.003","90","","4665.7","0.2","100.01","0.13","100.01","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Br3 N6 O2.29 -","- C42 H48 Br3 N6 O2.285 -","- C168 H192 Br12 N24 O9.14 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0763","0.0543","","","0.1315","0.1406","","","","","","1.051","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572336","14.3243","0.001","11.4688","0.0007","8.7762","0.0008","90","","90","","90","","1441.78","0.19","180","2","180","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 Br O4 -","- C16 H11 Br O4 -","- C64 H44 Br4 O16 -","4","1","","Winter, Alena; Hamdi, Farzad; Eichhöfer, Andreas; Saalwächter, Kay; Kastritis, Panagiotis L.; Haase, Frederik","Enhancing structural control in covalent organic frameworks through steric interaction-driven linker design.","Chemical science","2024","15","35","14449","14457","10.1039/d4sc03461a","","x-ray","1.34143","GaKα","GaKα","0.0485","0.0383","","","0.0973","0.102","","","","","","1.031","","","","has coordinates","295199","2024-10-06","07:11:55",""
"1572337","9.9945","0.0016","10.1084","0.0012","11.4916","0.0015","82.539","0.01","73.454","0.011","76.36","0.011","1079.1","0.3","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C56 H44 N4 O4 -","2","1","","Winter, Alena; Hamdi, Farzad; Eichhöfer, Andreas; Saalwächter, Kay; Kastritis, Panagiotis L.; Haase, Frederik","Enhancing structural control in covalent organic frameworks through steric interaction-driven linker design.","Chemical science","2024","15","35","14449","14457","10.1039/d4sc03461a","","x-ray","0.71073","MoKα","","0.1826","0.1171","","","0.2769","0.3287","","","","","","0.973","","","","has coordinates","295199","2024-10-06","07:11:56",""
"1572338","12.74441","0.00007","14.35189","0.00009","14.07101","0.00007","90","","94.028","0.0005","90","","2567.32","0.02","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 K2 O8 Zn2 -","- C44 H78 K2 O8 Zn2 -","- C88 H156 K4 O16 Zn4 -","2","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.029","0.0286","","","0.0784","0.0788","","","","","","1.049","","","","has coordinates,has disorder","295180","2024-10-06","07:00:48",""
"1572339","18.2697","0.0003","17.0018","0.0003","20.8902","0.0003","90","","112.777","0.0018","90","","5982.85","0.19","173.01","0.1","173.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H82 K2 O8 Zn2 -","- C52 H82 K2 O8 Zn2 -","- C208 H328 K8 O32 Zn8 -","4","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0691","0.0625","","","0.1977","0.2066","","","","","","1.062","","","","has coordinates","295180","2024-10-06","07:00:50",""
"1572340","18.3733","0.0003","15.7455","0.0003","18.5165","0.0003","90","","90","","90","","5356.76","0.16","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H76 K2 N2 O10 Zn2 -","- C46 H76 K2 N2 O10 Zn2 -","- C184 H304 K8 N8 O40 Zn8 -","4","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0525","0.0473","","","0.1317","0.1367","","","","","","1.077","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572341","10.92429","0.00016","11.04872","0.00016","13.15156","0.00019","112.469","0.0014","92.8879","0.0012","107.798","0.0013","1371.22","0.04","173.01","0.1","173.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H92 K2 N6 O4 Zn2 -","- C42 H92 K2 N6 O4 Zn2 -","- C42 H92 K2 N6 O4 Zn2 -","1","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0215","0.0213","","","0.0562","0.0564","","","","","","1.074","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572342","15.08965","0.00017","26.6881","0.0003","18.63986","0.00019","90","","102.261","0.001","90","","7335.32","0.14","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 K2 O4 Zn -","- C34 H56 K2 O4 Zn -","- C272 H448 K16 O32 Zn8 -","8","2","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","0.71073","MoKα","","0.0691","0.0475","","","0.1172","0.1269","","","","","","1.015","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572343","45.143","0.003","10.329","0.0004","25.339","0.0007","90","","98.908","0.004","90","","11672.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53.98 H79.93 N2 O9 -","- C54.012 H81.048 N2 O9 -","- C432.096 H648.384 N16 O72 -","8","1","","Li, Anquan; Du, Zhenglin; Zhang, Shilong; Xie, Jialin; Li, Xia; Chen, Qing; Tang, Yisong; Chen, Jiawen; Zhu, Kelong","A compact chemically driven [2]catenane rotary motor operated through alternate pumping and discharging.","Chemical science","2024","15","36","14721","14725","10.1039/d4sc04292a","","","1.54178","CuKα","","0.1137","0.0862","","","0.2221","0.2444","","","","","","1.03","","","","has coordinates,has disorder","295183","2024-10-06","07:03:03",""
"1572344","9.6885","0.0006","16.4051","0.0011","29.993","0.002","90","","96.342","0.002","90","","4737.9","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LAQ-X","","- C184 H276 B4 F16 N8 O28 -","- C184 H276 B4 F16 N8 O28 -","- C184 H276 B4 F16 N8 O28 -","1","0.25","","Li, Anquan; Du, Zhenglin; Zhang, Shilong; Xie, Jialin; Li, Xia; Chen, Qing; Tang, Yisong; Chen, Jiawen; Zhu, Kelong","A compact chemically driven [2]catenane rotary motor operated through alternate pumping and discharging.","Chemical science","2024","15","36","14721","14725","10.1039/d4sc04292a","","","0.71073","MoKα","","0.1372","0.081","","","0.2045","0.2438","","","","","","1.034","","","","has coordinates","295183","2024-10-06","07:03:05",""
"1572345","19.6838","0.0004","10.2976","0.0002","6.7242","0.0002","90","","94.821","0.002","90","","1358.15","0.06","240","","240","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0775","0.0765","","","0.173","0.1732","","","","","","1.184","","","","has coordinates,has disorder","295191","2024-10-06","07:07:01",""
"1572346","19.6862","0.0009","10.2795","0.0005","6.6908","0.0003","90","","94.908","0.004","90","","1349.01","0.11","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0912","0.0883","","","0.1966","0.1976","","","","","","1.244","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572347","19.6881","0.0009","10.2653","0.0004","6.6697","0.0003","90","","94.868","0.004","90","","1343.11","0.1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.097","0.0943","","","0.2113","0.2122","","","","","","1.206","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572348","19.8227","0.0006","10.2337","0.0003","6.6671","0.0002","90","","94.869","0.003","90","","1347.6","0.07","240","","240","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0671","0.0644","","","0.1452","0.1462","","","","","","1.13","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572349","19.8302","0.0014","10.2203","0.0005","6.6472","0.0004","90","","94.829","0.006","90","","1342.41","0.14","210","","210","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0729","0.0678","","","0.1503","0.1521","","","","","","1.116","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572350","19.6749","0.0007","10.2964","0.0004","6.7069","0.0002","90","","94.967","0.003","90","","1353.59","0.08","210","","210","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0864","0.084","","","0.1898","0.1905","","","","","","1.213","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572351","19.8291","0.0014","10.1978","0.0007","6.5967","0.0004","90","","94.736","0.007","90","","1329.39","0.15","130","","130","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0908","0.0852","","","0.2055","0.208","","","","","","1.104","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572352","19.6899","0.0011","10.2547","0.0005","6.6369","0.0003","90","","94.829","0.005","90","","1335.33","0.12","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.1117","0.1091","","","0.2349","0.2357","","","","","","1.191","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572353","19.8515","0.0006","10.2075","0.0003","6.5701","0.0002","90","","94.71","0.003","90","","1326.83","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0814","0.079","","","0.1568","0.1576","","","","","","1.118","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572354","19.8126","0.0014","10.2058","0.0008","6.607","0.0004","90","","94.742","0.007","90","","1331.39","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.099","0.0828","","","0.229","0.2385","","","","","","1.088","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572355","19.8407","0.0012","10.2132","0.0006","6.6271","0.0004","90","","94.798","0.005","90","","1338.19","0.14","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0789","0.074","","","0.1702","0.1722","","","","","","1.076","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572356","19.6867","0.0009","10.2626","0.0004","6.6569","0.0003","90","","94.892","0.004","90","","1340.04","0.1","130","","130","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.1005","0.0982","","","0.2182","0.2189","","","","","","1.22","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572360","13.0272","0.0012","12.4547","0.0008","14.7177","0.0013","90","","114.829","0.011","90","","2167.2","0.4","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 S -","- C26 H19 N5 S -","- C104 H76 N20 S4 -","4","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","0.71073","MoKα","","0.0698","0.0477","","","0.0965","0.1086","","","","","","1.02","","","","has coordinates","295175","2024-10-06","06:57:44",""
"1572361","8.806","0.0005","9.4077","0.0005","11.8916","0.0006","109.261","0.005","101.174","0.004","101.954","0.004","872.43","0.09","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N6 S -","- C20 H16 N6 S -","- C40 H32 N12 S2 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","1.54184","CuKα","","0.0466","0.0446","","","0.1213","0.1244","","","","","","1.048","","","","has coordinates","295175","2024-10-06","06:57:45",""
"1572362","7.5694","0.0005","8.978","0.0007","18.7562","0.0013","83.796","0.006","89.902","0.006","65.641","0.007","1153.07","0.16","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N7 S -","- C27 H21 N7 S -","- C54 H42 N14 S2 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","0.71073","MoKα","","0.0599","0.0464","","","0.1024","0.1113","","","","","","1.037","","","","has coordinates","295175","2024-10-06","06:57:45",""
"1572363","7.6716","0.0004","11.4509","0.0007","15.5455","0.001","102.548","0.005","98.148","0.004","103.294","0.005","1270.6","0.14","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Cl3 N5 O4 -","- C27 H20 Cl3 N5 O4 -","- C54 H40 Cl6 N10 O8 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","1.54184","CuKα","","0.0768","0.0566","","","0.1289","0.1444","","","","","","1.054","","","","has coordinates,has disorder","295175","2024-10-06","06:57:45",""
"1572364","12.7994","0.0005","13.045","0.0005","13.6798","0.0006","100.07","0.002","99.897","0.002","103.258","0.002","2134.75","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H40 N12 O2 S2 Zn -","- C43 H40 N12 O2 S2 Zn -","- C86 H80 N24 O4 S4 Zn2 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","1.54184","CuKα","","0.0501","0.0462","","","0.1285","0.1319","","","","","","1.05","","","","has coordinates","295175","2024-10-06","06:57:45",""
"1572374","10.0029","0.0011","7.3514","0.0005","10.4776","0.0007","90","","102.8","0.007","90","","751.33","0.11","299.15","","299.15","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C2 H9 N3 O3 S -","- C2 H9 N3 O3 S -","- C8 H36 N12 O12 S4 -","4","0.5","","Li, Yang; Chen, Xinglong; Ok, Kang Min","Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties.","Chemical science","2024","15","37","15145","15151","10.1039/d4sc04155k","","","0.71073","MoKα","","0.0775","0.068","","","0.1391","0.143","","","","","","1.2","","","","has coordinates","295165","2024-10-06","06:52:42",""
"1572375","14.3095","0.0003","29.8265","0.0006","32.5209","0.0005","105.679","0.002","94.669","0.002","100.24","0.002","13027.4","0.5","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C720 H320 N80 O4 -","- C720 H320 N80 O4 -","- C720 H320 N80 O4 -","1","0.5","","Shao, Gang; Liu, Yuan-Yuan; Niu, Chuang; Yin, Zheng-Chun; Ye, Shi-Qi; Yao, Yang-Rong; Chen, Muqing; Chen, Jun-Shen; Xia, Xu-Ling; Yang, Shangfeng; Wang, Guan-Wu","Unexpected and divergent mechanosynthesis of furanoid-bridged fullerene dimers C<sub>120</sub>O and C<sub>120</sub>O<sub>2</sub>.","Chemical science","2024","15","36","14899","14904","10.1039/d4sc04167d","","x-ray","1.54184","CuKα","","0.105","0.0839","","","0.2327","0.2603","","","","","","0.844","","","","has coordinates,has disorder","295181","2024-10-06","07:01:19",""
"1572376","14.2723","0.0004","29.9136","0.001","32.5999","0.001","105.97","0.003","94.818","0.002","100.16","0.003","13041.3","0.7","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C720 H320 N80 O2 -","- C720 H320 N80 O2 -","- C720 H320 N80 O2 -","1","0.5","","Shao, Gang; Liu, Yuan-Yuan; Niu, Chuang; Yin, Zheng-Chun; Ye, Shi-Qi; Yao, Yang-Rong; Chen, Muqing; Chen, Jun-Shen; Xia, Xu-Ling; Yang, Shangfeng; Wang, Guan-Wu","Unexpected and divergent mechanosynthesis of furanoid-bridged fullerene dimers C<sub>120</sub>O and C<sub>120</sub>O<sub>2</sub>.","Chemical science","2024","15","36","14899","14904","10.1039/d4sc04167d","","x-ray","1.54184","CuKα","","0.1376","0.0778","","","0.1744","0.2167","","","","","","0.984","","","","has coordinates,has disorder","295181","2024-10-06","07:01:19",""
"1572378","6.0431","0.0002","26.5905","0.0008","11.6793","0.0003","90","","101.772","0.001","90","","1837.26","0.09","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","","Hussein, Burhan A.; Maturi, William; Rylands, Mary Kate; Bismillah, Aisha N.; Wen, Yuzhen; Aguilar, Juan A.; Ayub, Rabia; Rankine, Conor D.; McGonigal, Paul R.","Correlated shapeshifting and configurational isomerization.","Chemical science","2024","15","36","14618","14624","10.1039/d4sc03699a","","x-ray","1.54178","CuKα","","0.0343","0.0333","","","0.0763","0.077","","","","","","1.025","","","","has coordinates","295187","2024-10-06","07:04:36",""
"1572379","22.6288","0.0006","14.0186","0.0004","17.8883","0.0005","90","","104.328","0.001","90","","5498.1","0.3","99.23","","99.23","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H53 Cl2 N3 O12 -","- C52 H53 Cl2 N3 O12 -","- C208 H212 Cl8 N12 O48 -","4","0.5","","Lu, Yu; Wang, Song-Meng; He, Sui-Sui; Huang, Qicheng; Zhao, Cheng-Da; Yu, Shan; Jiang, Wei; Yao, Huan; Wang, Li-Li; Yang, Liu-Pan","An <i>endo</i>-functionalized molecular cage for selective potentiometric determination of creatinine.","Chemical science","2024","15","36","14791","14797","10.1039/d4sc04950k","","","1.54178","CuKα","","0.0735","0.0613","","","0.1531","0.1615","","","","","","1.082","","","","has coordinates,has disorder","295186","2024-10-06","07:04:18",""
"1572380","22.161","0.002","14.1881","0.0013","17.9966","0.0017","90","","102.595","0.003","90","","5522.4","0.9","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C57 H60 Cl6 O12 -","- C57 H60 Cl6 O12 -","- C228 H240 Cl24 O48 -","4","0.5","","Lu, Yu; Wang, Song-Meng; He, Sui-Sui; Huang, Qicheng; Zhao, Cheng-Da; Yu, Shan; Jiang, Wei; Yao, Huan; Wang, Li-Li; Yang, Liu-Pan","An <i>endo</i>-functionalized molecular cage for selective potentiometric determination of creatinine.","Chemical science","2024","15","36","14791","14797","10.1039/d4sc04950k","","x-ray","1.34139","GaKα","","0.0478","0.0426","","","0.116","0.1204","","","","","","1.061","","","","has coordinates","295186","2024-10-06","07:04:19",""
"1572381","16.193","0.002","34.224","0.005","38.997","0.005","72.855","0.004","84.982","0.003","83.671","0.002","20491","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C204 H480 Ag66 O68 P34 Rh4 S68 -","- C204 H480 Ag66 O68 P34 Rh4 S68 -","- C408 H960 Ag132 O136 P68 Rh8 S136 -","2","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.","Chemical science","2024","15","36","14660","14667","10.1039/d4sc02920h","","","0.71073","MoKα","","0.1174","0.0666","","","0.1254","0.1519","","","","","","1.103","","","","has coordinates,has disorder","295188","2024-10-06","07:05:15",""
"1572382","44.382","0.007","17.68","0.003","28.939","0.004","90","","111.569","0.005","90","","21118","6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C408 H952 Ag132 O136 P68 Pt8 S136 -","4","0.5","","Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.","Chemical science","2024","15","36","14660","14667","10.1039/d4sc02920h","","","0.71073","MoKα","","0.0448","0.0364","","","0.0733","0.0811","","","","","","1.113","","","","has coordinates,has disorder","295188","2024-10-06","07:05:16",""
"1572383","19.4846","0.0011","20.7482","0.0012","30.0519","0.0017","98.0114","0.0014","102.16","0.0014","116.039","0.0013","10292.6","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H239 Ag32 O34 P17 Pt2 S34 -","- C102 H239 Ag32 O34 P17 Pt2 S34 -","- C204 H478 Ag64 O68 P34 Pt4 S68 -","2","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.","Chemical science","2024","15","36","14660","14667","10.1039/d4sc02920h","","","0.71073","MoKα","","0.0802","0.0555","","","0.1333","0.1511","","","","","","1.032","","","","has coordinates,has disorder","295188","2024-10-06","07:05:16",""
"1572384","10.33817","0.00007","10.45428","0.00008","14.51868","0.0001","90","","90","","90","","1569.15","0.019","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Liu, Shuxuan; Zhang, Chaoshen; Han, Zhengyu; Huang, Hai; Sun, Jianwei","Organocatalytic enantio- and diastereoselective assembly of cyclopropane-incorporated polycyclic molecules <i>via</i> isobenzopyrylium ions.","Chemical science","2024","15","37","15274","15279","10.1039/d4sc03746d","","x-ray","1.54184","CuKα","","0.0273","0.0258","","","0.072","0.0865","","","","","","1.174","","","","has coordinates","295177","2024-10-06","06:58:01",""
"1572385","9.9973","0.0004","10.5261","0.0004","15.941","0.0006","89.362","0.003","75.855","0.003","75.243","0.003","1570.66","0.11","100.03","0.1","100.03","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H33 Cl2 Fe N5 O4 -","- C32 H33 Cl2 Fe N5 O4 -","- C64 H66 Cl4 Fe2 N10 O8 -","2","1","","Ge, Jiajia; Chen, Binghui; Gong, Dirong","Catalytic polymerization of isoprene using an ultrahigh active iron(ii) complex with an ortho-modified 1,10-phenanthroline ligand, access to a thermal plastic rubber","Polymer Chemistry","2024","15","37","3751","3762","10.1039/D4PY00576G","","x-ray","1.54184","CuKα","","0.045","0.0421","","","0.1114","0.1131","","","","","","1.036","","","","has coordinates,has disorder","295346","2024-10-06","09:28:25",""
"1572386","15.4848","0.0008","14.4991","0.0007","16.3713","0.0008","90","","118.22","","90","","3238.7","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Cl2 Fe N4 O4 -","- C38 H28 Cl2 Fe N4 O4 -","- C152 H112 Cl8 Fe4 N16 O16 -","4","1","","Ge, Jiajia; Chen, Binghui; Gong, Dirong","Catalytic polymerization of isoprene using an ultrahigh active iron(ii) complex with an ortho-modified 1,10-phenanthroline ligand, access to a thermal plastic rubber","Polymer Chemistry","2024","15","37","3751","3762","10.1039/D4PY00576G","","","1.54178","CuKα","","0.077","0.0667","","","0.1591","0.17","","","","","","1.015","","","","has coordinates","295346","2024-10-06","09:28:25",""
"1572387","10.8158","0.0002","10.8158","0.0002","27.7228","0.0009","90","","90","","90","","3243.06","0.14","150","","150","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H17 Cl2 Fe N3 -","- C16 H17 Cl2 Fe N3 -","- C128 H136 Cl16 Fe8 N24 -","8","1","","Ge, Jiajia; Chen, Binghui; Gong, Dirong","Catalytic polymerization of isoprene using an ultrahigh active iron(ii) complex with an ortho-modified 1,10-phenanthroline ligand, access to a thermal plastic rubber","Polymer Chemistry","2024","15","37","3751","3762","10.1039/D4PY00576G","","","1.54178","CuKα","","0.0511","0.0486","","","0.1153","0.1164","","","","","","1.038","","","","has coordinates","295346","2024-10-06","09:28:25",""
"1572399","8.5595","0.0002","18.0868","0.0004","18.9345","0.0004","90","","99.522","0.007","90","","2890.94","0.13","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 B Cl5 F N2 O -","- C28 H33 B Cl5 F N2 O -","- C112 H132 B4 Cl20 F4 N8 O4 -","4","1","","Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor","Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.","Chemical science","2024","15","38","15679","15689","10.1039/d4sc00925h","","","0.71075","MoKα","","0.0536","0.0509","","","0.1165","0.118","","","","","","1.195","","","","has coordinates,has disorder","295205","2024-10-06","07:13:30",""
"1572400","10.208","0.002","17.008","0.003","20.085","0.004","90","","91.581","0.006","90","","3485.8","1.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","asymmetrically halogenated triaryl borane structure hydridecomplex","(2-chloro-6-fluorophenyl)bis(2,6-dichlorophenyl)(hydroxy)borate + piperidin-1-ium, +2 piperidine","","- C29 H31 B Cl5 F N2.2 O -","- C29 H31 B Cl5 F N2.2 O -","- C116 H124 B4 Cl20 F4 N8.8 O4 -","4","1","","Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor","Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.","Chemical science","2024","15","38","15679","15689","10.1039/d4sc00925h","","","0.71075","MoKα","","0.1705","0.1116","","","0.2789","0.3163","","","","","","0.994","","","","has coordinates","295205","2024-10-06","07:13:31",""
"1572401","16.53","0.0003","5.9431","0.0001","20.4998","0.0004","90","","110.449","0.001","90","","1886.98","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Wu, Fu-Peng; Lenz, Madina; Suresh, Adhya; Gogoi, Achyut R.; Tyler, Jasper L.; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Nitrogen-to-functionalized carbon atom transmutation of pyridine.","Chemical science","2024","15","37","15205","15211","10.1039/d4sc04413d","","x-ray","1.54178","CuKα","","0.0585","0.0418","","","0.0938","0.103","","","","","","1.049","","","","has coordinates","295168","2024-10-06","06:53:18",""
"1572402","30.9566","0.0005","17.6585","0.0002","8.2176","0.0001","90","","90","","90","","4492.13","0.1","120","0.1","120","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","0.5","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","1.54184","CuKα","","0.0286","0.0282","","","0.072","0.0725","","","","","","1.0588","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572403","10.4986","0.0005","11.6083","0.0006","12.2425","0.0006","97.683","0.004","106.716","0.004","100.894","0.004","1374.87","0.13","120.01","0.1","120.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C33.5 H26 O5.5 -","- C32 H20 O4 -","- C64 H40 O8 -","2","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0752","0.0598","","","0.1382","0.1457","","","","","","1.034","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572404","10.0081","0.0003","14.3562","0.0005","14.6779","0.0004","63.466","0.003","75.953","0.002","81.918","0.002","1829.09","0.11","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 Cl4 N4 O4 -","- C46 H26 Cl4 N4 O4 -","- C92 H52 Cl8 N8 O8 -","2","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0617","0.0486","","","0.1118","0.1204","","","","","","1.036","","","","has coordinates,has disorder","295182","2024-10-06","07:02:32",""
"1572405","10.5199","0.0002","18.4144","0.0003","13.8648","0.0003","90","","98.763","0.002","90","","2654.5","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 D12 O6 S3 -","- C30 H16 D12 O6 S3 -","- C120 H64 D48 O24 S12 -","4","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0638","0.0572","","","0.1256","0.129","","","","","","1.208","","","","has coordinates,has disorder","295182","2024-10-06","07:02:32",""
"1572406","17.9101","0.0006","8.2287","0.0003","14.3468","0.0005","90","","105.751","0.004","90","","2034.99","0.13","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C120 H88 O16 -","4","0.5","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0434","0.0331","","","0.0441","0.0465","","","","","","1.0922","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572407","10.2376","0.0007","10.4837","0.0006","12.0766","0.0007","107.559","0.003","103.934","0.003","103.55","0.003","1131.5","0.13","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H26 O5 -","- C31 H26 O5 -","- C62 H52 O10 -","2","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","","0.71073","MoKα","","0.0545","0.0328","","","0.0659","0.0738","","","","","","1.0588","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572408","14.0655","0.0008","7.6705","0.0005","13.2164","0.0007","90","","90","","90","","1425.91","0.14","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H13 Br4 Cl Ga N -","- C5 H13 Br4 Cl Ga N -","- C20 H52 Br16 Cl4 Ga4 N4 -","4","1","","Wang, Bin; Li, Zhirui; Tang, Zhengxiao; Zhao, Haixia; Long, Lasheng; Zheng, Lansun","Achievement of a giant electromechanical conversion coefficient in a molecule-based ferroelectric.","Chemical science","2024","15","37","15192","15197","10.1039/d4sc04185b","","x-ray","1.54184","CuKα","","0.0761","0.0616","","","0.1592","0.1806","","","","","","1.054","","","","has coordinates,has disorder","295172","2024-10-06","06:56:24",""
"1572409","11.1226","0.0007","15.8329","0.0009","15.9866","0.0009","104.893","0.002","90.229","0.002","96.128","0.002","2703.7","0.3","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H60 B N3 -","- C70 H60 B N3 -","- C140 H120 B2 N6 -","2","1","","Huang, Tingting; Yuan, Li; Lu, Xueying; Qu, Yupei; Qu, Cheng; Xu, Yincai; Zheng, You-Xuan; Wang, Yue","Efficient circularly polarized multiple resonance thermally activated delayed fluorescence from B,N-embedded hetero[8]helicene enantiomers.","Chemical science","2024","15","37","15170","15177","10.1039/d4sc03854a","","","0.71073","MoKα","","0.1271","0.0762","","","0.1967","0.241","","","","","","1.028","","","","has coordinates,has disorder","295178","2024-10-06","06:58:12",""
"1572410","12.5889","0.0011","15.8207","0.0013","12.628","0.0011","90","","94.562","0.002","90","","2507.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H36 Cl10 Ga3 -","- C54 H36 Cl10 Ga3 -","- C108 H72 Cl20 Ga6 -","2","1","","Bhattacharjee, Rameswar; McCormack, Megan E.; Zhou, Zheng; Wei, Zheng; Petrukhina, Marina A.; Kertesz, Miklos","A unique trimeric triphenylene radical cation: stacking aggregation, bonding, and stability.","Chemical science","2024","15","37","15221","15231","10.1039/d4sc03774j","","","0.71073","MoKα","","0.0407","0.0315","","","0.0641","0.0674","","","","","","1.034","","","","has coordinates","295176","2024-10-06","06:57:53",""
"1572416","14.4097","0.0015","5.8858","0.0007","21.876","0.003","90","","92.905","0.009","90","","1853","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Cu N6 -","- C36 H50 Cl2 Cu N6 -","- C72 H100 Cl4 Cu2 N12 -","2","0.5","","Gillhuber, Sebastian; Holloway, Joshua O.; Mundsinger, Kai; Kammerer, Jochen A.; Harmer, Jeffrey R.; Frisch, Hendrik; Barner-Kowollik, Christopher; Roesky, Peter W.","Visible light photoflow synthesis of a Cu(ii) single-chain polymer nanoparticle catalyst.","Chemical science","2024","15","37","15280","15290","10.1039/d4sc03079f","","x-ray","0.71073","MoKα","","0.0976","0.0511","","","0.11","0.1297","","","","","","1.032","","","","has coordinates","295173","2024-10-06","06:56:34",""
"1572417","6.7744","0.0013","9.1274","0.0019","15.003","0.003","90","","90","","90","","927.7","0.3","150","2","150","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C4 H12 Ag Br2 N -","- C4 H12 Ag Br2 N -","- C16 H48 Ag4 Br8 N4 -","4","0.25","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.","Chemical science","2024","15","38","15907","15912","10.1039/d4sc04165h","","","0.71073","MoKα","","0.08","0.0769","","","0.1817","0.1837","","","","","","1.107","","","","has coordinates","295200","2024-10-06","07:12:16",""
"1572418","6.797","0.003","9.193","0.005","15.12","0.007","90","","90","","90","","944.8","0.8","340","2","340","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C4 H12 Ag Br2 N -","- C4 H12 Ag Br2 N -","- C16 H48 Ag4 Br8 N4 -","4","0.25","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.","Chemical science","2024","15","38","15907","15912","10.1039/d4sc04165h","","","0.71073","MoKα","","0.1083","0.0893","","","0.2333","0.2576","","","","","","1.147","","","","has coordinates,has disorder","295200","2024-10-06","07:12:18",""
"1572419","6.7923","0.001","9.1285","0.0016","15.017","0.002","90","","90","","90","","931.1","0.2","298","2","298","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C4 H12 Ag Br2 N -","- C4 H12 Ag Br2 N -","- C16 H48 Ag4 Br8 N4 -","4","0.25","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.","Chemical science","2024","15","38","15907","15912","10.1039/d4sc04165h","","","0.71073","MoKα","","0.026","0.0234","","","0.0445","0.0454","","","","","","1.085","","","","has coordinates,has disorder","295200","2024-10-06","07:12:18",""
"1572420","19.7827","0.0005","24.1706","0.0007","21.6782","0.0006","90","","103.752","0.002","90","","10068.5","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46.7 H61.91 Au0.73 Cl3.43 N5 O0.54 Pt -","- C46.704 H61.908 Au0.7275 Cl3.4315 N5 O0.545 Pt -","- C373.632 H495.264 Au5.82 Cl27.452 N40 O4.36 Pt8 -","8","2","","Dietl, Martin C.; Maag, Melina; Ber, Sophia; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Andele, Pacome K.; Mkhalid, Ibraheem A. I.; Rizzolio, Flavio; Nogara, Pablo A.; Orian, Laura; Scattolin, Thomas; Hashmi, A Stephen K","Comparative study of the antiproliferative activity of heterometallic carbene gold(i)-platinum(ii) and gold(i)-palladium(ii) complexes in cancer cell lines.","Chemical science","2024","15","37","15291","15298","10.1039/d4sc04585h","","","1.54178","CuKα","","0.0916","0.0497","","","0.0951","0.1088","","","","","","1.012","","","","has coordinates,has disorder","295171","2024-10-06","06:56:17",""
"1572421","11.8697","0.0001","14.3822","0.0002","9.9352","0.0001","90","","95.776","0.001","90","","1687.45","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","","Gardner, Kristen E.; de Lescure, Louis; Hardy, Melissa A.; Tan, Jin; Sigman, Matthew S.; Paton, Robert S.; Sarpong, Richmond","Modular synthesis of aryl amines from 3-alkynyl-2-pyrones.","Chemical science","2024","15","38","15632","15638","10.1039/d4sc04885g","","x-ray","1.54184","CuKα","","0.0412","0.0384","","","0.097","0.0983","","","","","","1.029","","","","has coordinates","295207","2024-10-06","07:13:56",""
"1572422","9.4696","0.0005","9.4104","0.0004","7.9944","0.0004","90","","113.333","0.002","90","","654.14","0.06","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H5 N5 O3 Zn -","- C3 H5 N5 O3 Zn -","- C12 H20 N20 O12 Zn4 -","4","1","","Yang, Can; Kang, Yuwei; Wang, Xuefei; Gou, Jie; Xiong, Yi; Zhu, Zece; Chen, Ling; Wu, Qi","N<sub>2</sub>H<sub>4</sub>Zn(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>): exceptionally strong second harmonic generation and ultra-long phosphorescence.","Chemical science","2024","15","38","15725","15730","10.1039/d4sc04476b","","","0.71073","MoKα","","0.0175","0.0174","","","0.0468","0.0469","","","","","","1.062","","","","has coordinates","295210","2024-10-06","07:14:38",""
"1572423","43.206","0.008","9.8953","0.0019","25.757","0.005","90","","119.166","0.003","90","","9616","3","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H75 N4 Sc3 -","- C50 H75 N4 Sc3 -","- C400 H600 N32 Sc24 -","8","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","0.71073","MoKα","","0.0802","0.0446","","","0.1063","0.1226","","","","","","1.026","","","","has coordinates","296405","2024-12-06","16:46:48",""
"1572424","8.4652","0.0003","16.6864","0.0005","17.8292","0.0006","63.797","0.003","88.175","0.002","87.697","0.002","2257.53","0.14","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Cl O Sc -","- C24 H38 Cl O Sc -","- C96 H152 Cl4 O4 Sc4 -","4","2","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","x-ray","0.71073","MoKα","","0.0483","0.0376","","","0.095","0.1","","","","","","1.087","","","","has coordinates","296405","2024-12-06","16:46:50",""
"1572425","11.501","0.0009","11.579","0.0009","18.957","0.0015","82.26","0.004","81.73","0.004","64.75","0.003","2252","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 O7 Sc4 -","- C40 H66 O7 Sc4 -","- C80 H132 O14 Sc8 -","2","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","1.54178","CuKα","","0.0523","0.0469","","","0.1163","0.1212","","","","","","1.084","","","","has coordinates","296405","2024-12-06","16:46:50",""
"1572426","13.4651","0.0009","14.9197","0.001","20.5495","0.0013","90","","90","","90","","4128.3","0.5","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H67 I N2 O Sc2 -","- C40 H67 I N2 O Sc2 -","- C160 H268 I4 N8 O4 Sc8 -","4","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","0.71073","MoKα","","0.0366","0.0327","","","0.0869","0.0889","","","","","","1.073","","","","has coordinates,has disorder","296405","2024-12-06","16:46:50",""
"1572427","10.9904","0.0015","11.3937","0.0016","14.908","0.002","90","","90","","90","","1866.8","0.4","133","2","133","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C40 H60 N2 Sc2 -","- C40 H60 N2 Sc2 -","- C80 H120 N4 Sc4 -","2","0.25","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","0.71073","MoKα","","0.0563","0.0458","","","0.1071","0.1123","","","","","","1.058","","","","has coordinates,has disorder","296405","2024-12-06","16:46:50",""
"1572428","8.393","0.0005","11.1477","0.0007","20.9045","0.0011","90","","90","","90","","1955.9","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl Sc -","- C20 H30 Cl Sc -","- C80 H120 Cl4 Sc4 -","4","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","x-ray","0.71073","MoKα","","0.0484","0.0407","","","0.1023","0.1063","","","","","","1.051","","","","has coordinates","296405","2024-12-06","16:46:50",""
"1572429","7.375","0.0007","21.731","0.002","14.3104","0.0013","90","","90.31","0.003","90","","2293.4","0.4","100","2","100","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C38 H28 Fe2 N12 O8 Pd2 S4 -","- C38 H28 Fe2 N12 O8 Pd2 S4 -","- C76 H56 Fe4 N24 O16 Pd4 S8 -","2","0.25","","Paul, Abhik; Kosaka, Wataru; Kumar, Bhart; Mondal, Dibya Jyoti; Miyasaka, Hitoshi; Konar, Sanjit","CO<sub>2</sub>-actuated spin transition tuning in an interdigitated Hofmann-type coordination polymer.","Chemical science","2024","15","38","15610","15616","10.1039/d4sc04266b","","","0.71073","MoKα","","0.0468","0.0466","","","0.1222","0.1224","","","","","","1.185","","","","has coordinates","295204","2024-10-06","07:13:14",""
"1572430","10.52","0.04","14.31","0.07","14.38","0.06","82.65","0.09","74.13","0.11","72.38","0.08","1982","15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 O2 W -","- C47 H60 O2 W -","- C94 H120 O4 W2 -","2","1","","Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.","Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.","Chemical science","2024","15","38","15873","15879","10.1039/d4sc04411h","","","0.71073","MoKα","","0.0348","0.0264","","","0.0513","0.0536","","","","","","1.02","","","","has coordinates","295212","2024-10-06","07:15:19",""
"1572431","10.8411","0.0003","16.8936","0.0005","20.2912","0.0005","90","","99.748","0.001","90","","3662.58","0.17","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H56 O3 W -","- C43 O3 W -","- C172 O12 W4 -","4","1","","Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.","Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.","Chemical science","2024","15","38","15873","15879","10.1039/d4sc04411h","","","0.71073","MoKα","","0.0347","0.0304","","","0.0646","0.0661","","","","","","1.142","","","","has coordinates,has disorder","295212","2024-10-06","07:15:20",""
"1572432","12.2551","0.0006","14.4674","0.0007","20.7849","0.001","90","","96.471","0.002","90","","3661.7","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H0.25 O3 W -","- C43 H58 O3 W -","- C172 H232 O12 W4 -","4","1","","Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.","Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.","Chemical science","2024","15","38","15873","15879","10.1039/d4sc04411h","","","0.71073","MoKα","","0.0312","0.022","","","0.0454","0.0488","","","","","","1.041","","","","has coordinates","295212","2024-10-06","07:15:20",""
"1572433","10.8969","0.0004","13.5727","0.0005","14.1536","0.0006","90","","96.74","0.002","90","","2078.86","0.14","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H46 Co F6 N2 O2 P3 -","- C46 H46 Co F6 N2 O2 P3 -","- C92 H92 Co2 F12 N4 O4 P6 -","2","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0417","0.036","","","0.0843","0.0879","","","","","","1.063","","","","has coordinates","295170","2024-10-06","06:56:03",""
"1572434","15.4283","0.0009","9.7434","0.0005","12.9567","0.0008","90","","120.359","0.002","90","","1680.63","0.17","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H38 Co N2 O P2 -","- C42 H38 Co N2 O P2 -","- C84 H76 Co2 N4 O2 P4 -","2","0.5","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0294","0.0273","","","0.0622","0.0632","","","","","","1.1","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572435","37.0504","0.0012","9.6501","0.0004","23.1185","0.0008","90","","123.211","0.001","90","","6915.6","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Co N2 P2 -","- C44 H38 Co N2 P2 -","- C352 H304 Co8 N16 P16 -","8","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0371","0.0289","","","0.0709","0.076","","","","","","1.034","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572436","15.4595","0.0004","14.3076","0.0004","18.6069","0.0006","90","","90","","90","","4115.6","0.2","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H38 Co F12 N2 O P4 -","- C42 H38 Co F12 N2 O P4 -","- C168 H152 Co4 F48 N8 O4 P16 -","4","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.035","0.029","","","0.0662","0.0697","","","","","","1.052","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572437","11.1913","0.0004","13.9843","0.0006","17.7609","0.0008","76.602","0.001","83.396","0.001","67.358","0.001","2494.54","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H60 Co K N2 O6 P2 -","- C56 H60 Co K N2 O6 P2 -","- C112 H120 Co2 K2 N4 O12 P4 -","2","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0626","0.0393","","","0.0897","0.1011","","","","","","1.033","","","","has coordinates,has disorder","295170","2024-10-06","06:56:04",""
"1572438","11.4936","0.0005","12.2636","0.0005","15.7199","0.0007","87.128","0.001","75.067","0.002","85.597","0.001","2133.56","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45.44 H46.56 Co F6 N2 O0.79 P4 -","- C45.428 H46.56 Co F6 N2 O0.783 P4 -","- C90.856 H93.12 Co2 F12 N4 O1.566 P8 -","2","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0313","0.0282","","","0.0707","0.0734","","","","","","1.033","","","","has coordinates,has disorder","295170","2024-10-06","06:56:04",""
"1572439","11.2827","0.0005","24.3783","0.0012","46.956","0.002","90","","90","","90","","12915.4","1","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H80 Co K N2 O6 P2 -","- C74 H80 Co K N2 O6 P2 -","- C592 H640 Co8 K8 N16 O48 P16 -","8","2","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0544","0.0431","","","0.1093","0.1181","","","","","","1.078","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572464","21.0807","0.0004","4.92885","0.00012","23.4456","0.0005","90","","102.218","0.002","90","","2380.9","0.09","99.97","0.13","99.97","0.13","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","","Cheng, Qianqian; De Bo, Guillaume","Mechanochemical generation of aryne.","Chemical science","2024","15","33","13181","13184","10.1039/d4sc03968h","","x-ray","1.54184","CuKα","","0.0653","0.0578","","","0.1532","0.1604","","","","","","1.047","","","","has coordinates","294363","2024-09-04","07:53:04",""
"1572465","23.5231","0.0019","8.2852","0.0007","24.9724","0.0019","90","","105.323","0.008","90","","4693.9","0.7","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C240 H224 O32 -","8","2","","Cheng, Qianqian; De Bo, Guillaume","Mechanochemical generation of aryne.","Chemical science","2024","15","33","13181","13184","10.1039/d4sc03968h","","x-ray","1.54184","CuKα","","0.1398","0.0713","","","0.1605","0.2012","","","","","","1.029","","","","has coordinates","294363","2024-09-04","07:53:04",""
"1572466","14.6516","0.0007","27.2272","0.0013","29.4109","0.0014","90","","99.944","0.001","90","","11556.4","1","77.15","","77.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C114 H122 Cu4 F12 N4 O7 P10 S -","- C114 H122 Cu4 F12 N4 O7 P10 S -","- C456 H488 Cu16 F48 N16 O28 P40 S4 -","4","1","","Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.","Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.","Chemical science","2024","15","34","13668","13675","10.1039/d4sc00701h","","","0.40633","synchrotron","","0.0845","0.0568","","","0.1257","0.14","","","","","","1.025","","","","has coordinates","294364","2024-09-04","08:05:03",""
"1572467","11.668","0.004","47.89","0.016","11.5","0.005","90","","95.148","0.011","90","","6400","4","77.15","","77.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H66 Cu2 F12 N4 O3 P6 -","- C61 H66 Cu2 F12 N4 O3 P6 -","- C244 H264 Cu8 F48 N16 O12 P24 -","4","1","","Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.","Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.","Chemical science","2024","15","34","13668","13675","10.1039/d4sc00701h","","","0.41328","synchrotron","","0.0569","0.0506","","","0.125","0.1315","","","","","","1.068","","","","has coordinates,has disorder","294364","2024-09-04","08:05:06",""
"1572468","27.1837","0.0008","16.4148","0.0005","23.8408","0.0006","90","","110.577","0.001","90","","9959.4","0.5","77.15","","77.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H88 Cu4 F8 O P8 S -","- C103 H94 Cu4 F12 O P10 S -","- C412 H376 Cu16 F48 O4 P40 S4 -","4","0.5","","Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.","Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.","Chemical science","2024","15","34","13668","13675","10.1039/d4sc00701h","","","0.41328","synchrotron","","0.0527","0.0482","","","0.1359","0.1398","","","","","","1.081","","","","has coordinates","294364","2024-09-04","08:05:07",""
"1572469","13.6415","0.0002","19.3339","0.0003","18.973","0.0003","90","","109.138","0.0017","90","","4727.45","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H67 Al Mg N2 O -","- C52 H67 Al Mg N2 O -","- C208 H268 Al4 Mg4 N8 O4 -","4","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","1.54184","CuKα","","0.0896","0.0661","","","0.1834","0.2016","","","","","","1.044","","","","has coordinates,has disorder","295174","2024-10-06","06:57:22",""
"1572470","13.9427","0.0002","19.1025","0.0003","18.6052","0.0003","90","","108.451","0.002","90","","4700.59","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H67 Be In N2 O -","- C52 H67 Be In N2 O -","- C208 H268 Be4 In4 N8 O4 -","4","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","1.54184","CuKα","","0.0396","0.0313","","","0.0762","0.0806","","","","","","1.038","","","","has coordinates","295174","2024-10-06","06:57:31",""
"1572471","19.3033","0.0002","17.3028","0.0002","27.4999","0.0004","90","","103.204","0.0012","90","","8942.2","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Ga N2 O -","- C52 H67 Ga N2 O -","- C416 H536 Ga8 N16 O8 -","8","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","0.71073","MoKα","","0.0697","0.0607","","","0.1618","0.1667","","","","","","1.163","","","","has coordinates,has disorder","295174","2024-10-06","06:57:31",""
"1572472","13.87645","0.00013","21.59607","0.00019","20.08526","0.00015","90","","102.734","0.0008","90","","5871.03","0.09","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H98 Al N5 O -","- C63 H98 Al N5 O -","- C252 H392 Al4 N20 O4 -","4","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","1.54184","CuKα","","0.0698","0.0585","","","0.1658","0.18","","","","","","1.017","","","","has coordinates,has disorder","295174","2024-10-06","06:57:31",""
"1572473","17.626","0.002","7.583","0.0009","9.5983","0.0011","90","","93.496","0.005","90","","1280.5","0.3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-1","","- C18 H31 Cl6 In0.95 N3 Sb0.05 -","- C18 H31 Cl6 In0.95 N3 Sb0.05 -","- C36 H62 Cl12 In1.9 N6 Sb0.1 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0326","0.0295","","","0.0592","0.0611","","","","","","1.052","","","","has coordinates,has disorder","295166","2024-10-06","06:52:57",""
"1572474","14.807","0.005","9.305","0.003","9.672","0.004","90","","92.017","0.011","90","","1331.8","0.8","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2A","","- C19 H34 Cl6 In0.79 N3 Sb0.21 -","- C19 H34 Cl6 In0.79 N3 Sb0.21 -","- C38 H68 Cl12 In1.58 N6 Sb0.42 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0276","0.026","","","0.0628","0.0651","","","","","","1.08","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572475","14.843","0.005","9.3","0.003","9.69","0.003","90","","92.129","0.011","90","","1336.7","0.7","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2B","","- C19 H34 Cl6 In0.72 N3 Sb0.28 -","- C19 H34 Cl6 In0.72 N3 Sb0.28 -","- C38 H68 Cl12 In1.44 N6 Sb0.56 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0322","0.028","","","0.0595","0.0627","","","","","","1.093","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572476","14.74","0.006","9.26","0.004","9.647","0.004","90","","92.088","0.013","90","","1315.9","1","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2","","- C19 H34 Cl6 In0.95 N3 Sb0.05 -","- C19 H34 Cl6 In0.95 N3 Sb0.05 -","- C38 H68 Cl12 In1.9 N6 Sb0.1 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0345","0.0305","","","0.0705","0.0748","","","","","","1.057","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572477","14.863","0.004","9.29","0.002","9.706","0.002","90","","92.229","0.008","90","","1339.2","0.5","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2C","","- C19 H34 Cl6 In0.59 N3 Sb0.41 -","- C19 H34 Cl6 In0.59 N3 Sb0.41 -","- C38 H68 Cl12 In1.18 N6 Sb0.82 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0312","0.0278","","","0.0591","0.0615","","","","","","1.07","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572478","12.7343","0.0006","11.6579","0.0005","14.1462","0.0006","90","","113.366","0.002","90","","1927.85","0.15","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N2 O P2 -","- C15 H30 N2 O P2 -","- C60 H120 N8 O4 P8 -","4","1","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","1.54178","CuKα","K-L~3~","0.0333","0.0296","","","0.0753","0.0778","","","","","","1.049","","","","has coordinates","295209","2024-10-06","07:14:30",""
"1572479","5.1758","0.0003","5.3182","0.0003","11.4365","0.0006","88.01","0.002","83.733","0.002","80.367","0.002","308.46","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 P2 -","- C12 H20 P2 -","- C12 H20 P2 -","1","0.5","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","0.71073","MoKα","K-L~3~","0.0528","0.049","","","0.1255","0.1272","","","","","","1.142","","","","has coordinates","295209","2024-10-06","07:14:30",""
"1572480","10.5119","0.0004","15.7592","0.0006","16.7454","0.0006","90","","100.303","0.001","90","","2729.3","0.18","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 N2 -","- C30 H50 N2 -","- C120 H200 N8 -","4","1","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","1.54178","CuKα","K-L~3~","0.0396","0.038","","","0.0971","0.0988","","","","","","1.024","","","","has coordinates","295209","2024-10-06","07:14:30",""
"1572481","11.7119","0.0016","11.7054","0.0015","14.533","0.002","90","","113.731","0.004","90","","1823.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 N2 P2 -","- C14 H30 N2 P2 -","- C56 H120 N8 P8 -","4","1","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","0.71073","MoKα","K-L~3~","0.0641","0.0473","","","0.111","0.122","","","","","","1.06","","","","has coordinates,has disorder","295209","2024-10-06","07:14:30",""
"1572482","16.175","0.002","8.8838","0.001","16.016","0.003","90","","118.393","0.019","90","","2024.6","0.6","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorobenzyl)-3,3-difluoro-3a-(4-fluorobenzyl)octahydro-1H-indole-2-carbonitrile","","- C23 H22 Cl F3 N2 -","- C23 H22 Cl F3 N2 -","- C92 H88 Cl4 F12 N8 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","0.71073","MoKα","","0.0816","0.0484","","","0.1094","0.1324","","","","","","1.021","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572483","15.0621","0.0014","7.4049","0.0008","18.0353","0.0015","90","","109.111","0.009","90","","1900.7","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(4-chlorobenzyl)-3,3-difluoro-3a-(4-fluorobenzyl)octahydro-1H-indol-2-ol","","- C22 H23 Cl F3 N O -","- C22 H23 Cl F3 N O -","- C88 H92 Cl4 F12 N4 O4 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","0.71073","MoKα","","0.0796","0.0538","","","0.1159","0.1345","","","","","","1.038","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572484","9.4827","0.0008","11.3393","0.0009","16.2357","0.0014","90","","90","","90","","1745.8","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-(4-chlorophenyl)-3,3-difluoro-3a-(4-fluorobenzyl)hexahydrocyclopenta[b]pyrrol-2(1H)-one","","- C20 H17 Cl F3 N O -","- C20 H17 Cl F3 N O -","- C80 H68 Cl4 F12 N4 O4 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","0.71073","MoKα","","0.0558","0.0413","","","0.0899","0.1001","","","","","","1.032","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572485","11.743","0.003","16.564","0.004","12.926","0.003","90","","120.721","0.017","90","","2161.4","1","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl F2 N O S -","- C26 H20 Cl F2 N O S -","- C104 H80 Cl4 F8 N4 O4 S4 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","1.34138","GaKα","","0.1409","0.0717","","","0.1765","0.2201","","","","","","1.013","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572486","9.1803","0.0002","12.075","0.0002","28.1968","0.0004","90","","96.323","0.001","90","","3106.66","0.1","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C160 H176 N16 -","8","2","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0696","0.0647","","","0.1855","0.1892","","","","","","1.079","","","","has coordinates","296398","2024-12-06","16:44:16",""
"1572487","10.02211","0.00019","10.3152","0.0002","16.3908","0.0003","90","","90","","90","","1694.48","0.06","303.64","0.1","303.64","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0444","0.0427","","","0.1116","0.1138","","","","","","1.059","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572488","5.9659","0.0002","12.6239","0.0005","21.0785","0.0008","90","","90","","90","","1587.48","0.1","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C84 H80 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","","0.71073","MoKα","","0.0459","0.0376","","","0.0901","0.0943","","","","","","1.044","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572489","9.3172","0.0003","13.2929","0.0004","15.5466","0.0006","90","","90","","90","","1925.49","0.11","300.77","0.1","300.77","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H24 N2 -","- C24 H24 N2 -","- C96 H96 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0477","0.044","","","0.1208","0.1241","","","","","","1.032","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572490","10.892","0.0003","20.1165","0.0007","9.3605","0.0003","90","","104.195","0.003","90","","1988.35","0.11","302.03","0.1","302.03","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0687","0.0497","","","0.1327","0.1529","","","","","","1.072","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572491","9.002","0.0002","10.8545","0.0002","12.0854","0.0002","109.707","0.002","101.745","0.002","98.816","0.002","1056.44","0.04","301.84","0.1","301.84","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C54 H44 N4 -","2","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0543","0.0461","","","0.1288","0.1368","","","","","","1.072","","","","has coordinates,has disorder","296398","2024-12-06","16:44:17",""
"1572492","10.2015","0.0005","18.4915","0.0008","18.9255","0.0009","90","","90","","90","","3570.1","0.3","242","","242","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C160 H184 N8 O16 -","8","2","","Xiao, Jichao; Jia, Tingting; Chen, Shuang; Pan, Mengxiao; Li, Xingwei","Ni-catalyzed enantioselective three-component reductive alkylacylation of alkenes: modular access to structurally complex α-amino ketones.","Chemical science","2024","15","37","15489","15495","10.1039/d4sc04561k","","","1.54178","CuKα","","0.0326","0.0317","","","0.0824","0.083","","","","","","1.091","","","","has coordinates","295167","2024-10-06","06:53:08",""
"1572493","17.0757","0.0003","17.0757","0.0003","13.5351","0.0003","90","","90","","120","","3417.82","0.11","200","","200","","","","","","","","","6","P 31","P 31","144","","","","- C21 H23 Br Cl N O2 -","- C21 H23 Br Cl N O2 -","- C126 H138 Br6 Cl6 N6 O12 -","6","2","","Xiao, Jichao; Jia, Tingting; Chen, Shuang; Pan, Mengxiao; Li, Xingwei","Ni-catalyzed enantioselective three-component reductive alkylacylation of alkenes: modular access to structurally complex α-amino ketones.","Chemical science","2024","15","37","15489","15495","10.1039/d4sc04561k","","","1.54178","CuKα","","0.0731","0.0662","","","0.1941","0.2039","","","","","","1.049","","","","has coordinates,has disorder","295167","2024-10-06","06:53:09",""
"1572494","17.5466","0.0005","4.9289","0.0002","23.3375","0.0006","90","","97.338","0.003","90","","2001.82","0.11","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N7 O4 S -","- C17 H13 N7 O4 S -","- C68 H52 N28 O16 S4 -","4","1","","Miyazaki, Ryuya; Takada, Fumito; Kikuchi, Takunari; Oguro, Yuya; Kamata, Makoto; Yukawa, Takafumi; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","2<i>H</i>-Thiazolo[4,5-<i>d</i>][1,2,3]triazole: synthesis, functionalization, and application in scaffold-hopping.","Chemical science","2024","15","38","15835","15840","10.1039/d4sc03874f","","x-ray","1.54184","CuKα","","0.0664","0.0583","","","0.1665","0.1746","","","","","","1.065","","","","has coordinates","295203","2024-10-06","07:13:07",""
"1572495","6.124","0.0002","10.0991","0.0003","14.9338","0.0006","80.551","0.003","86.987","0.003","77.131","0.002","888.07","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N5 S -","- C19 H23 N5 S -","- C38 H46 N10 S2 -","2","1","","Miyazaki, Ryuya; Takada, Fumito; Kikuchi, Takunari; Oguro, Yuya; Kamata, Makoto; Yukawa, Takafumi; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","2<i>H</i>-Thiazolo[4,5-<i>d</i>][1,2,3]triazole: synthesis, functionalization, and application in scaffold-hopping.","Chemical science","2024","15","38","15835","15840","10.1039/d4sc03874f","","x-ray","1.54184","CuKα","","0.0383","0.0345","","","0.0916","0.0947","","","","","","1.065","","","","has coordinates","295203","2024-10-06","07:13:08",""
"1572508","9.3455","0.0003","12.358","0.0003","14.8848","0.0003","108.452","0.002","92.03","0.002","97.599","0.002","1610.9","0.08","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","Ruthenium MACHO-(N-phenylformamide)","carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-phenylformamide)-ruthenium","","- C36 H36 N2 O2 P2 Ru -","- C36 H36 N2 O2 P2 Ru -","- C72 H72 N4 O4 P4 Ru2 -","2","1","","Luk, James; Goodfellow, Alister S.; More, Nachiket Deepak; Bühl, Michael; Kumar, Amit","Exploiting decarbonylation and dehydrogenation of formamides for the synthesis of ureas, polyureas, and poly(urea-urethanes).","Chemical science","2024","15","40","16594","16604","10.1039/d4sc03948c","","x-ray","0.71073","MoKα","","0.085","0.0522","","","0.0942","0.1017","","","","","","1.028","","","","has coordinates","296424","2024-12-06","16:54:10",""
"1572509","10.3385","0.0002","12.963","0.0002","15.3995","0.0004","85.247","0.002","80.723","0.002","85.758","0.001","2025.95","0.07","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-benzylformamide)-ruthenium N-benzylformamide","","- C45 H47 N3 O3 P2 Ru -","- C45 H47 N3 O3 P2 Ru -","- C90 H94 N6 O6 P4 Ru2 -","2","1","","Luk, James; Goodfellow, Alister S.; More, Nachiket Deepak; Bühl, Michael; Kumar, Amit","Exploiting decarbonylation and dehydrogenation of formamides for the synthesis of ureas, polyureas, and poly(urea-urethanes).","Chemical science","2024","15","40","16594","16604","10.1039/d4sc03948c","","x-ray","0.71073","MoKα","","0.0652","0.0406","","","0.0751","0.0801","","","","","","1.015","","","","has coordinates","296424","2024-12-06","16:54:11",""
"1572529","7.97347","0.00014","14.0397","0.0003","18.8868","0.0004","89.8034","0.0016","87.772","0.0016","74.1423","0.0016","2032.23","0.07","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Mo N O9 S -","- C19 H19 Mo N O9 S -","- C76 H76 Mo4 N4 O36 S4 -","4","2","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.049","0.044","","","0.1166","0.1203","","","","","","1.064","","","","has coordinates,has disorder","296400","2024-12-06","16:44:44",""
"1572530","12.514","0.00014","6.72111","0.00008","23.5861","0.0003","90","","93.9945","0.0011","90","","1978.96","0.04","109.95","0.1","109.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Mo N O6 S2 -","- C17 H21 Mo N O6 S2 -","- C68 H84 Mo4 N4 O24 S8 -","4","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0287","0.0258","","","0.0643","0.0658","","","","","","1.039","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572531","6.93153","0.0001","11.7456","0.00018","20.3314","0.0003","90","","94.9309","0.0013","90","","1649.15","0.04","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Mo N O7 -","- C16 H17 Mo N O7 -","- C64 H68 Mo4 N4 O28 -","4","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0303","0.0283","","","0.0665","0.0676","","","","","","1.066","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572532","6.7559","0.0004","12.1951","0.0007","12.2098","0.0007","71.97","0.005","80.752","0.005","77.252","0.005","928.33","0.1","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 F2 Mo N O5.5 -","- C19 H19 F2 Mo N O5.5 -","- C38 H38 F4 Mo2 N2 O11 -","2","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0292","0.0279","","","0.066","0.0668","","","","","","1.056","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572533","13.3516","0.0003","14.811","0.0003","11.4468","0.0003","90","","112.217","0.003","90","","2095.56","0.1","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F6 Mo N O6 -","- C19 H17 F6 Mo N O6 -","- C76 H68 F24 Mo4 N4 O24 -","4","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0326","0.0297","","","0.0773","0.0793","","","","","","1.058","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572534","5.1775","0.0004","11.4157","0.001","7.2715","0.0005","90","","90","","90","","429.78","0.06","297","","297","","","","","","","","","5","A m m 2","A 2 -2","38","","","","- B3 K2 La2 Na O9 -","- B3 K2 La2 Na O9 -","- B6 K4 La4 Na2 O18 -","2","0.25","","Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng","A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates.","Chemical science","2024","15","39","16196","16204","10.1039/d4sc05081a","","x-ray","0.71073","MoKα","","0.05","0.0497","","","0.1276","0.1279","","","","","","1.121","","","","has coordinates","296399","2024-12-06","16:44:26",""
"1572535","6.7996","0.0013","16.42","0.003","9.4868","0.0017","90","","90","","90","","1059.2","0.3","273.15","","273.15","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- B3 K3 La2 O9 -","- B3 K3 La2 O9 -","- B12 K12 La8 O36 -","4","1","","Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng","A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates.","Chemical science","2024","15","39","16196","16204","10.1039/d4sc05081a","","x-ray","0.71073","MoKα","","0.0518","0.0399","","","0.0938","0.096","","","","","","0.983","","","","has coordinates,has disorder","296399","2024-12-06","16:44:27",""
"1572536","19.1121","0.0013","13.8417","0.0009","30.0202","0.0017","90","","90","","90","","7941.7","0.9","150","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C53 H42 N2 -","- C53 H42 N2 -","- C424 H336 N16 -","8","1","","Li, Qian; Guo, Yusong; Lan, Jingbo; Yang, Yudong; Wu, Di; Bin, Zhengyang","Spirobifluorene-based hole-transporting materials for RGB OLEDs with high efficiency and low efficiency roll-off.","Chemical science","2024","15","39","16096","16102","10.1039/d4sc04979a","","","0.71073","MoKα","","0.0877","0.0537","","","0.1284","0.1548","","","","","","1.039","","","","has coordinates","296403","2024-12-06","16:45:42",""
"1572537","15.2944","0.0004","20.2938","0.0006","25.559","0.0009","90","","96.449","0.002","90","","7882.8","0.4","213","2","213","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C74 H98 B N4 O2 Y2 -","- C74 H98 B N4 O2 Y2 -","- C296 H392 B4 N16 O8 Y8 -","4","0.5","","Mavragani, Niki; Kitos, Alexandros A.; Mansikkamäki, Akseli; Murugesu, Muralee","Stabilizing an exotic dianionic tetrazine bridge in a Ln<sub>2</sub> metallocene.","Chemical science","2024","15","39","16234","16242","10.1039/d4sc03734k","","","0.71073","MoKα","","0.0465","0.0337","","","0.0875","0.0954","","","","","","1.037","","","","has coordinates","296402","2024-12-06","16:45:33",""
"1572538","14.2304","0.0008","13.3587","0.0008","15.0126","0.001","90","","95.235","0.004","90","","2842","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 N4 O4 Y2 -","- C58 H94 N4 O4 Y2 -","- C116 H188 N8 O8 Y4 -","2","0.5","","Mavragani, Niki; Kitos, Alexandros A.; Mansikkamäki, Akseli; Murugesu, Muralee","Stabilizing an exotic dianionic tetrazine bridge in a Ln<sub>2</sub> metallocene.","Chemical science","2024","15","39","16234","16242","10.1039/d4sc03734k","","","0.71073","MoKα","","0.0718","0.0471","","","0.1282","0.147","","","","","","1.046","","","","has coordinates,has disorder","296402","2024-12-06","16:45:33",""
"1572539","14.3222","0.0004","13.3614","0.0003","14.9998","0.0004","90","","94.976","0.001","90","","2859.61","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 Gd2 N4 O4 -","- C58 H94 Gd2 N4 O4 -","- C116 H188 Gd4 N8 O8 -","2","0.5","","Mavragani, Niki; Kitos, Alexandros A.; Mansikkamäki, Akseli; Murugesu, Muralee","Stabilizing an exotic dianionic tetrazine bridge in a Ln<sub>2</sub> metallocene.","Chemical science","2024","15","39","16234","16242","10.1039/d4sc03734k","","","0.71073","MoKα","","0.0563","0.046","","","0.1112","0.1233","","","","","","1.076","","","","has coordinates,has disorder","296402","2024-12-06","16:45:33",""
"1572545","9.6477","0.0007","10.3442","0.0008","15.3145","0.0012","88.415","0.001","72.422","0.001","63.567","0.001","1294.42","0.17","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 Hf N2 Si -","- C27 H36 Hf N2 Si -","- C54 H72 Hf2 N4 Si2 -","2","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","x-ray","0.71073","MoKα","","0.036","0.0338","","","0.0881","0.0892","","","","","","1.028","","","","has coordinates","295201","2024-10-06","07:12:43",""
"1572546","9.4363","0.0004","9.4941","0.0004","16.9652","0.0007","83.659","0.001","80.491","0.001","70.284","0.001","1408.68","0.1","112","2","112","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Hf N3 Si -","- C29 H39 Hf N3 Si -","- C58 H78 Hf2 N6 Si2 -","2","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0369","0.0301","","","0.0553","0.0572","","","","","","1.013","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572547","9.488","0.0003","38.1993","0.0014","9.6016","0.0003","90","","114.088","0.001","90","","3176.92","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H45 Hf N3 Si -","- C32 H45 Hf N3 Si -","- C128 H180 Hf4 N12 Si4 -","4","2","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0524","0.0469","","","0.0903","0.0932","","","","","","1.032","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572548","9.2803","0.0007","37.819","0.003","9.6856","0.0007","90","","114.12","0.0015","90","","3102.6","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H40 Br0.5 Cl0.5 Hf N3 Si -","- C30 H40 Br0.5 Cl0.5 Hf N3 Si -","- C120 H160 Br2 Cl2 Hf4 N12 Si4 -","4","2","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.052","0.0447","","","0.0915","0.0942","","","","","","1.02","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572549","10.4428","0.0007","12.0367","0.001","15.1051","0.001","84.604","0.004","76.557","0.003","65.977","0.004","1686.7","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N4 Zr -","- C36 H50 N4 Zr -","- C72 H100 N8 Zr2 -","2","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0744","0.0611","","","0.1401","0.1538","","","","","","1.051","","","","has coordinates,has disorder","295201","2024-10-06","07:12:45",""
"1572550","16.1939","0.0014","15.9751","0.001","27.1492","0.0016","90","","90","","90","","7023.5","0.9","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 Hf N4 Si -","- C35 H50 Hf N4 Si -","- C280 H400 Hf8 N32 Si8 -","8","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0661","0.0431","","","0.0846","0.0978","","","","","","1.036","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572551","44.5128","0.0008","44.5128","0.0008","9.3817","0.0003","90","","90","","120","","16098.4","0.7","120","","120","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41 H46 Hf N4 Si -","- C41 H46 Hf N4 Si -","- C738 H828 Hf18 N72 Si18 -","18","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.053","0.0406","","","0.0814","0.0872","","","","","","1.025","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572552","30.058","0.0002","30.058","0.0002","45.2905","0.0003","90","","90","","120","","35437.1","0.4","100.02","0.13","100.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C106 H124 Cl4 N8 O12 -","- C106 H124 Cl4 N8 O12 -","- C954 H1116 Cl36 N72 O108 -","9","1","","Hu, Ming; Ye, Feng-Ying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song","Highly enhanced chiroptical effect from self-inclusion helical nanocrystals of tetraphenylethylene bimacrocycles.","Chemical science","2024","15","40","16627","16636","10.1039/d4sc03599b","","","1.54184","CuKα","","0.0789","0.0722","","","0.2064","0.2131","","","","","","1.052","","","","has coordinates","296430","2024-12-06","16:58:18",""
"1572553","29.7705","0.0003","26.2949","0.0003","8.8623","0.0001","90","","90","","90","","6937.52","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C65 H66 Cl2 N4 O10 -","- C65 H66 Cl2 N4 O10 -","- C260 H264 Cl8 N16 O40 -","4","1","","Hu, Ming; Ye, Feng-Ying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song","Highly enhanced chiroptical effect from self-inclusion helical nanocrystals of tetraphenylethylene bimacrocycles.","Chemical science","2024","15","40","16627","16636","10.1039/d4sc03599b","","x-ray","1.54184","CuKα","","0.0596","0.052","","","0.1446","0.1509","","","","","","1.038","","","","has coordinates,has disorder","296430","2024-12-06","16:58:19",""
"1572554","19.334","0.005","13.388","0.004","23.028","0.009","90","","112.142","0.003","90","","5521","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 Fe Li2 N4 O2 -","- C52 H76 Fe Li2 N4 O2 -","- C208 H304 Fe4 Li8 N16 O8 -","4","1","","Hertler, Phoebe R.; Sauza-de la Vega, Arturo; Darù, Andrea; Sarkar, Arup; Lewis, Richard A.; Wu, Guang; Gagliardi, Laura; Hayton, Trevor W.","A homoleptic Fe(iv) ketimide complex with a low-lying excited state.","Chemical science","2024","15","40","16559","16566","10.1039/d4sc04880f","","","0.71073","MoKα","","0.1319","0.0776","","","0.1998","0.2339","","","","","","1.017","","","","has coordinates","296426","2024-12-06","16:55:06",""
"1572555","23.042","0.006","9.565","0.003","21.412","0.008","90","","121.565","0.005","90","","4021","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Fe N4 -","- C44 H56 Fe N4 -","- C176 H224 Fe4 N16 -","4","0.5","","Hertler, Phoebe R.; Sauza-de la Vega, Arturo; Darù, Andrea; Sarkar, Arup; Lewis, Richard A.; Wu, Guang; Gagliardi, Laura; Hayton, Trevor W.","A homoleptic Fe(iv) ketimide complex with a low-lying excited state.","Chemical science","2024","15","40","16559","16566","10.1039/d4sc04880f","","","0.71073","MoKα","","0.0701","0.0441","","","0.0565","0.0603","","","","","","1.381","","","","has coordinates","296426","2024-12-06","16:55:07",""
"1572556","23.477","0.012","9.781","0.005","21.869","0.016","90","","122.075","0.008","90","","4255","4","287","2","287","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Fe N4 -","- C44 H56 Fe N4 -","- C176 H224 Fe4 N16 -","4","0.5","","Hertler, Phoebe R.; Sauza-de la Vega, Arturo; Darù, Andrea; Sarkar, Arup; Lewis, Richard A.; Wu, Guang; Gagliardi, Laura; Hayton, Trevor W.","A homoleptic Fe(iv) ketimide complex with a low-lying excited state.","Chemical science","2024","15","40","16559","16566","10.1039/d4sc04880f","","","0.71073","MoKα","","0.0779","0.0581","","","0.1466","0.1607","","","","","","1.021","","","","has coordinates","296426","2024-12-06","16:55:07",""
"1572557","12.6131","0.0005","23.9374","0.0009","16.1455","0.0007","90","","109.519","0.001","90","","4594.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 F18 Fe N10 P2 -","- C40 H40 F18 Fe N10 P2 -","- C160 H160 F72 Fe4 N40 P8 -","4","1","","Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric","Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.","Chemical science","2024","15","38","15625","15631","10.1039/d4sc03504f","","","0.71073","MoKα","","0.0498","0.037","","","0.0791","0.0842","","","","","","1.026","","","","has coordinates","295211","2024-10-06","07:14:57",""
"1572558","11.2151","0.0007","11.2151","0.0007","39.789","0.004","90","","90","","120","","4334.1","0.6","100","","100","","","","","","","","","6","P 32","P 32","145","","","","- C52 H60 F12 Fe N8 P2 -","- C52 H60 F12 Fe N8 P2 -","- C156 H180 F36 Fe3 N24 P6 -","3","1","","Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric","Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.","Chemical science","2024","15","38","15625","15631","10.1039/d4sc03504f","","","0.71073","MoKα","","0.0495","0.0484","","","0.1274","0.1283","","","","","","1.094","","","","has coordinates,has disorder","295211","2024-10-06","07:14:57",""
"1572559","12.2526","0.0005","13.4256","0.0004","20.2744","0.0008","84.787","0.001","80.556","0.001","76.504","0.001","3194.3","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H50 Cl6 F18 Fe N10 P2 -","- C53 H50 Cl6 F18 Fe N10 P2 -","- C106 H100 Cl12 F36 Fe2 N20 P4 -","2","1","","Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric","Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.","Chemical science","2024","15","38","15625","15631","10.1039/d4sc03504f","","","0.71073","MoKα","","0.0682","0.0606","","","0.1488","0.1539","","","","","","1.069","","","","has coordinates,has disorder","295211","2024-10-06","07:14:57",""
"1572560","6.8078","0.0018","31.102","0.008","12.122","0.003","90","","99.747","0.008","90","","2529.6","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O3 S -","- C31 H27 N O3 S -","- C124 H108 N4 O12 S4 -","4","1","","Sarkar, Deeptanu; Deswal, Shiksha; Chandra Das, Rohan; Biju, Akkattu T.","Lewis acid-catalyzed (3 + 2) annulation of bicyclobutanes with ynamides: access to 2-amino-bicyclo[2.1.1]hexenes.","Chemical science","2024","15","39","16243","16249","10.1039/d4sc03893b","","","0.71073","MoKα","","0.0475","0.0427","","","0.1056","0.1083","","","","","","1.097","","","","has coordinates","296397","2024-12-06","16:43:54",""
"1572561","9.8956","0.0005","10.1319","0.0005","11.9988","0.0009","90","","90","","90","","1203.01","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Spieß, Philipp; Brześkiewicz, Jakub; Maulide, Nuno","Deprotective Lossen rearrangement: a direct and general transformation of Nms-amides to unsymmetrical ureas.","Chemical science","2024","15","38","15799","15803","10.1039/d4sc04974h","","x-ray","0.71073","MoKα","","0.0477","0.0378","","","0.0813","0.0825","","","","","","1.048","","","","has coordinates","295208","2024-10-06","07:14:15",""
"1572562","21.3525","0.0012","8.6525","0.0005","11.7801","0.0008","90","","105.852","0.005","90","","2093.6","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C96 H96 N16 O16 -","4","1","","Spieß, Philipp; Brześkiewicz, Jakub; Maulide, Nuno","Deprotective Lossen rearrangement: a direct and general transformation of Nms-amides to unsymmetrical ureas.","Chemical science","2024","15","38","15799","15803","10.1039/d4sc04974h","","x-ray","1.54186","CuKα","","0.1117","0.0549","","","0.1138","0.147","","","","","","1.039","","","","has coordinates","295208","2024-10-06","07:14:15",""
"1572563","8.0672","0.0003","13.059","0.0007","24.6529","0.0012","90","","90.676","0.002","90","","2597","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H58 Cl2 N4 O6 -","- C59 H58 Cl2 N4 O6 -","- C118 H116 Cl4 N8 O12 -","2","0.5","","Printz, Gaël; Shuvo, Redoy Gazi; Schweizer, Antoine; Ryzhakov, Dmytro; Gourlaouen, Christophe; Lantigner, Lielou; Jacques, Béatrice; Messaoudi, Samir; Le Bideau, Franck; Dagorne, Samuel","N-Heterocyclic carbene-initiated epoxide/anhydride ring-opening copolymerization: effective and selective organoinitiators for the production of various polyesters","Polymer Chemistry","2024","15","38","3901","3906","10.1039/D4PY00778F","","","0.71073","MoKα","","0.0732","0.0514","","","0.121","0.1359","","","","","","1.025","","","","has coordinates","295347","2024-10-06","09:28:41",""
"1572565","11.7578","0.0007","11.7959","0.0008","21.4886","0.0013","104.299","0.002","95.141","0.002","106.641","0.002","2725.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H21 Cl3 N2 Pt -","- C30.5 H21 Cl3 N2 Pt -","- C122 H84 Cl12 N8 Pt4 -","4","2","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0813","0.0475","","","0.0923","0.0994","","","","","","1.056","","","","has coordinates","295189","2024-10-06","07:05:50",""
"1572566","16.2246","0.0007","7.6549","0.0003","18.0393","0.0008","90","","109.503","0.001","90","","2111.89","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 N2 Pt -","- C30 H20 N2 Pt -","- C120 H80 N8 Pt4 -","4","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0168","0.0136","","","0.0302","0.0311","","","","","","1.058","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572567","18.29","0.003","7.4428","0.001","21.746","0.003","90","","114.056","0.004","90","","2703.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl4 N2 Pt -","- C31 H22 Cl4 N2 Pt -","- C124 H88 Cl16 N8 Pt4 -","4","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0923","0.0782","","","0.1605","0.1682","","","","","","1.298","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572568","14.9481","0.0007","8.4291","0.0004","21.4418","0.0011","90","","90","","90","","2701.6","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H24 Cl2 N2 Pt -","- C38 H24 Cl2 N2 Pt -","- C152 H96 Cl8 N8 Pt4 -","4","0.5","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0493","0.0345","","","0.0787","0.0876","","","","","","1.092","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572569","17.067","0.003","7.9171","0.0012","19.976","0.003","90","","101.319","0.004","90","","2646.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N2 Pt -","- C38 H24 N2 Pt -","- C152 H96 N8 Pt4 -","4","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0788","0.0509","","","0.1071","0.1211","","","","","","1.159","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572570","12.775","0.003","15.586","0.003","16.27","0.003","80.19","0.006","76.548","0.006","85.221","0.006","3101.4","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H52 Cl4 N4 Pt2 -","- C77 H52 Cl4 N4 Pt2 -","- C154 H104 Cl8 N8 Pt4 -","2","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.1096","0.0684","","","0.1691","0.2045","","","","","","1.037","","","","has coordinates,has disorder","295189","2024-10-06","07:05:51",""
"1572571","14.4996","0.0019","14.069","0.002","22.58","0.003","90","","90","","90","","4606.2","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H21 Cl N2 Pt -","- C30 H21 Cl N2 Pt -","- C240 H168 Cl8 N16 Pt8 -","8","2","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0376","0.0335","","","0.0699","0.0714","","","","","","1.241","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572572","21.839","0.003","19.399","0.003","16.667","0.002","90","","99.571","0.002","90","","6962.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.33 H24.66 Cl2.66 N2 Pt -","- C38.3315 H24.663 Cl2.663 N2 Pt -","- C306.652 H197.304 Cl21.304 N16 Pt8 -","8","2","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.1245","0.0831","","","0.1657","0.1945","","","","","","1.048","","","","has coordinates,has disorder","295189","2024-10-06","07:05:51",""
"1572573","16.1667","0.0007","13.9159","0.0005","18.6147","0.0008","90","","106.908","0.004","90","","4006.8","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H42 Br4 Mn P2 -","- C42 H42 Br4 Mn P2 -","- C168 H168 Br16 Mn4 P8 -","4","0.5","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.0492","0.03","","","0.0563","0.0602","","","","","","1.034","","","","has coordinates","296404","2024-12-06","16:46:17",""
"1572574","11.7943","0.0003","19.8244","0.0006","19.3722","0.0007","90","","94.116","0.001","90","","4517.8","0.2","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C45 H50 Br4 Mn O P2 -","- C45 H50 Br4 Mn O P2 -","- C180 H200 Br16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","","0.71073","MoKα","","0.0542","0.0412","","","0.0904","0.0993","","","","","","1.064","","","","has coordinates","296404","2024-12-06","16:46:17",""
"1572575","15.4957","0.001","33.2381","0.0011","16.6711","0.0005","90","","90","","90","","8586.4","0.7","101","1","101","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H46 Br4 Mn P2 -","- C44 H46 Br4 Mn P2 -","- C352 H368 Br32 Mn8 P16 -","8","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.1148","0.081","","","0.2132","0.2368","","","","","","1.047","","","","has coordinates,has disorder","296404","2024-12-06","16:46:17",""
"1572576","11.8477","0.0003","19.6629","0.0004","19.696","0.0004","90","","95.412","0.002","90","","4567.93","0.18","100.02","0.1","100.02","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H46 Br4 F4 Mn O P2 -","- C45 H46 Br4 F4 Mn O P2 -","- C180 H184 Br16 F16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.0452","0.0342","","","0.0707","0.0734","","","","","","1.046","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572577","11.5253","0.0002","19.8357","0.0003","20.0972","0.0003","90","","93.259","0.001","90","","4587.04","0.13","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H46 Br4 F4 Mn O P2 -","- C45 H46 Br4 F4 Mn O P2 -","- C180 H184 Br16 F16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.0327","0.0276","","","0.0545","0.0556","","","","","","1.036","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572578","13.6889","0.0006","16.4095","0.0007","18.7391","0.0008","90","","99.905","0.001","90","","4146.6","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Br4 F4 Mn P2 -","- C42 H38 Br4 F4 Mn P2 -","- C168 H152 Br16 F16 Mn4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","","1.34138","GaKα","","0.0437","0.0356","","","0.0931","0.0972","","","","","","1.099","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572579","12.0173","0.0001","13.3312","0.0001","27.318","0.0003","90","","102.66","0.001","90","","4270.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Br4 Mn P2 -","- C43 H44 Br4 Mn P2 -","- C172 H176 Br16 Mn4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","1.54184","CuKα","","0.0476","0.0433","","","0.1152","0.1181","","","","","","1.049","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572580","12.2655","0.0002","19.6016","0.0003","19.2241","0.0003","90","","96.361","0.001","90","","4593.47","0.13","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H46 Br4 F4 Mn O P2 -","- C45 H46 Br4 F4 Mn O P2 -","- C180 H184 Br16 F16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.04","0.0289","","","0.0578","0.0597","","","","","","1.052","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572592","9.7904","0.0014","13.791","0.002","14.347","0.002","90","","99.606","0.005","90","","1910","0.5","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N S2 -","- C20 H22 Cl N S2 -","- C80 H88 Cl4 N4 S8 -","4","1","","Patra, Koushik; Dey, Manas Pratim; Baidya, Mahiuddin","Metal-free site-selective functionalization with cyclic diaryl λ<sup>3</sup>-chloranes: suppression of benzyne formation for ligand-coupling reactions.","Chemical science","2024","15","40","16605","16611","10.1039/d4sc04108a","","","0.71073","MoKα","","0.081","0.062","","","0.1506","0.1619","","","","","","1.082","","","","has coordinates,has disorder","296423","2024-12-06","16:53:56",""
"1572593","17.9856","0.0009","7.6368","0.0003","23.5135","0.0013","90","","92.914","0.002","90","","3225.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl N -","- C20 H18 Cl N -","- C160 H144 Cl8 N8 -","8","1","","Patra, Koushik; Dey, Manas Pratim; Baidya, Mahiuddin","Metal-free site-selective functionalization with cyclic diaryl λ<sup>3</sup>-chloranes: suppression of benzyne formation for ligand-coupling reactions.","Chemical science","2024","15","40","16605","16611","10.1039/d4sc04108a","","","0.71073","MoKα","","0.0579","0.0449","","","0.1142","0.1235","","","","","","1.049","","","","has coordinates","296423","2024-12-06","16:53:57",""
"1572594","11.6034","0.0003","12.2578","0.0003","17.0531","0.0004","74.1121","0.001","85.164","0.0011","64.8014","0.001","2109.39","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H40 Cl2 N2 Os P2 S2 -","- C47 H40 Cl2 N2 Os P2 S2 -","- C94 H80 Cl4 N4 Os2 P4 S4 -","2","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0369","0.0292","","","0.0656","0.0686","","","","","","1.075","","","","has coordinates","295206","2024-10-06","07:13:48",""
"1572595","9.6569","0.0008","11.9102","0.0008","20.8069","0.0016","86.218","0.004","84.416","0.004","69.354","0.004","2227.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 B N2 Os P2 S4 -","- C50 H40 B N2 Os P2 S4 -","- C100 H80 B2 N4 Os2 P4 S8 -","2","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0649","0.039","","","0.069","0.0771","","","","","","1.03","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572596","9.516","0.003","19.737","0.007","19.416","0.006","90","","93.665","0.009","90","","3639","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 B N3 Os P S3 -","- C33 H29 B N3 Os P S3 -","- C132 H116 B4 N12 Os4 P4 S12 -","4","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0545","0.0378","","","0.0721","0.0787","","","","","","1.052","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572597","9.7769","0.0003","11.7895","0.0004","13.7966","0.0006","69.327","0.002","85.219","0.002","68.07","0.001","1378.05","0.09","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H25 B N2 O Os P S2 -","- C28 H26 B N2 O Os P S2 -","- C56 H52 B2 N4 O2 Os2 P2 S4 -","2","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0246","0.0177","","","0.0372","0.0441","","","","","","1.216","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572598","10.9773","0.0004","23.2835","0.0008","14.8343","0.0005","90","","103.877","0.0015","90","","3680.8","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 B N3 Os P S6 -","- C39 H29 B N3 Os P S6 -","- C156 H116 B4 N12 Os4 P4 S24 -","4","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0654","0.0402","","","0.0785","0.0868","","","","","","1.013","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572599","36.1185","0.0015","10.179","0.0004","28.0264","0.0012","90","","127.78","0.001","90","","8143.9","0.6","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 B Cl2 N3 Os P S6 -","- C40 H31 B Cl2 N3 Os P S6 -","- C320 H248 B8 Cl16 N24 Os8 P8 S48 -","8","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0592","0.0456","","","0.1014","0.1081","","","","","","1.093","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572600","10.7564","0.0005","12.6856","0.0003","10.7941","0.0005","90","","119.599","0.006","90","","1280.67","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Rb2InP2S7","","","- In2 P4 Rb4 S14 -","- In2 P4 Rb4 S14 -","- In4 P8 Rb8 S28 -","2","0.5","","Jiang, Lin-Tao; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Guo, Guo-Cong","Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates.","Chemical science","2024","15","41","17114","17119","10.1039/d4sc03683b","","","0.71073","MoKα","","0.0485","0.0399","","","0.0969","0.1005","","","","","","0.999","","","","has coordinates","296367","2024-12-06","16:26:17",""
"1572601","18.7064","0.0003","25.4567","0.0004","10.8159","0.0001","90","","90","","90","","5150.57","0.13","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","Rb2InP2S7","","","- In8 P16 Rb16 S56 -","- In8 P16 Rb16 S56 -","- In16 P32 Rb32 S112 -","2","0.125","","Jiang, Lin-Tao; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Guo, Guo-Cong","Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates.","Chemical science","2024","15","41","17114","17119","10.1039/d4sc03683b","","","0.71073","MoKα","","0.0193","0.0182","","","0.0441","0.0443","","","","","","1","","","","has coordinates","296367","2024-12-06","16:26:18",""
"1572602","10.9132","0.0005","13.1589","0.0004","10.964","0.0005","90","","119.511","0.006","90","","1370.22","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cs2InP2S7","","","- Ba0 Cl0 Cs4 In2 P4 S14 -","- Cs4 In2 P4 S14 -","- Cs8 In4 P8 S28 -","2","0.5","","Jiang, Lin-Tao; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Guo, Guo-Cong","Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates.","Chemical science","2024","15","41","17114","17119","10.1039/d4sc03683b","","","0.71073","MoKα","","0.0385","0.0356","","","0.0955","0.0972","","","","","","1.001","","","","has coordinates","296367","2024-12-06","16:26:18",""
"1572603","26.064","0.001","27.538","0.001","35.319","0.001","90","","91.118","0.002","90","","25345.4","1.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C165 H145.17 Au13 Cl2 N20 Na0.67 O24.42 -","- C165 H136.333 Au13 Cl2 N20 Na0.6667 O24.4167 -","- C660 H545.333 Au52 Cl8 N80 Na2.6668 O97.6668 -","4","1","","Yuan, Xiting; Ye, Zichen; Malola, Sami; Shekhah, Osama; Jiang, Hao; Hu, Xinyan; Wang, Jian-Xin; Wang, Hong; Shkurenko, Aleksander; Jia, Jiangtao; Guillerm, Vincent; Mohammed, Omar F.; Chen, Xiaolan; Zheng, Nanfeng; Häkkinen, Hannu; Eddaoudi, Mohamed","Synthesis and crystallization of a carboxylate functionalized <i>N</i>-heterocyclic carbene-based Au<sub>13</sub> cluster with strong photo-luminescence.","Chemical science","2024","15","39","16112","16117","10.1039/d4sc04594g","","","1.54178","CuKα","","0.081","0.0615","","","0.186","0.2176","","","","","","1.038","","","","has coordinates,has disorder","296396","2024-12-06","16:43:34",""
"1572604","23.977","0.005","8.9117","0.0016","7.7036","0.0015","90","","101.973","0.005","90","","1610.3","0.5","273","","273","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 Br3 F N Pb -","- C10 H15 Br3 F N Pb -","- C40 H60 Br12 F4 N4 Pb4 -","4","1","","Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi","The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.","Chemical science","2024","15","40","16612","16617","10.1039/d4sc03571b","","","0.71073","MoKα","","0.1001","0.0347","","","0.0627","0.0845","","","","","","0.957","","","","has coordinates","296429","2024-12-06","16:57:53",""
"1572605","23.5064","0.0018","8.9668","0.0005","6.8118","0.0004","90","","98.299","0.007","90","","1420.74","0.16","420","0.2","420","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Br3 F N Pb -","- C10 H15 Br3 F N Pb -","- C40 H60 Br12 F4 N4 Pb4 -","4","0.5","","Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi","The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.","Chemical science","2024","15","40","16612","16617","10.1039/d4sc03571b","","x-ray","0.71073","MoKα","","0.1039","0.0852","","","0.2754","0.3068","","","","","","1.089","","","","has coordinates,has disorder","296429","2024-12-06","16:57:54",""
"1572606","23.11","0.003","9.609","0.0013","26.851","0.004","90","","106.99","0.014","90","","5702.4","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 Br5 N2 Pb1.5 -","- C20 Br5 N2 Pb1.5 -","- C160 Br40 N16 Pb12 -","8","1","","Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi","The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.","Chemical science","2024","15","40","16612","16617","10.1039/d4sc03571b","","x-ray","0.71073","MoKα","","0.1246","0.0648","","","0.128","0.1419","","","","","","1.033","","","","has coordinates","296429","2024-12-06","16:57:54",""
"1572615","17.649","0.0004","12.8229","0.0003","24.5818","0.0006","90","","101.244","0.001","90","","5456.4","0.2","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 Hf2 N4 -","- C66 H62 Hf2 N4 -","- C264 H248 Hf8 N16 -","4","1","","Xing, Yanhong; Liu, Shaofeng; Li, Zhibo","Synthesis of dinuclear pyridyl-amido hafnium and zirconium complexes toward olefin polymerization with unexpected stereospecificity and ultra-high molecular weight capability","Polymer Chemistry","2024","15","40","4141","4150","10.1039/D4PY00794H","","x-ray","0.71073","MoKα","","0.041","0.0283","","","0.0556","0.0605","","","","","","1.035","","","","has coordinates,has disorder","296716","2024-12-06","20:53:59",""
"1572616","5.3552","0.0006","11.2241","0.0013","33.85","0.004","90","","90","","90","","2034.6","0.4","304","2","304","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MUAFO","MUAFO","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Haridas, V.; Maurya, Govind P.; Dutta, Souvik","Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.","Chemical science","2024","15","41","16908","16916","10.1039/d4sc04023f","","","0.71073","MoKα","","0.1051","0.0532","","","0.1078","0.126","","","","","","1.017","","","","has coordinates","296362","2024-12-06","16:23:38",""
"1572617","5.3547","0.0002","11.2231","0.0004","33.8405","0.0011","90","","90","","90","","2033.69","0.12","302","2","302","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","dMUAFO","dMUAFO","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Haridas, V.; Maurya, Govind P.; Dutta, Souvik","Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.","Chemical science","2024","15","41","16908","16916","10.1039/d4sc04023f","","","0.71073","MoKα","","0.1112","0.0508","","","0.0994","0.1207","","","","","","1","","","","has coordinates","296362","2024-12-06","16:23:38",""
"1572618","12.7958","0.0003","12.7958","0.0003","26.2968","0.0012","90","","90","","120","","3728.8","0.2","150","2","150","2","","","","","","","","4","P 65","P 65","170","MUFFO","MUFFO","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C156 H162 N18 O24 -","6","1","","Haridas, V.; Maurya, Govind P.; Dutta, Souvik","Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.","Chemical science","2024","15","41","16908","16916","10.1039/d4sc04023f","","","0.71073","MoKα","","0.0385","0.0331","","","0.0791","0.083","","","","","","1.057","","","","has coordinates","296362","2024-12-06","16:23:38",""
"1572619","22.864","0.001","35.6826","0.0012","3.7147","0.0001","90","","91.622","0.003","90","","3029.41","0.19","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","HOF-PTBA","","- C48 H28 O8 -","- C48 H28 O8 -","- C96 H56 O16 -","2","0.25","","Di, Zhengyi; Qi, Yu; Yu, Xin-Xin; Li, Hai-Ruo; Zuo, Meng-Xuan; Ren, Tian-Tian; Li, Cheng-Peng; Zhao, Yanli","Facile and scale-up syntheses of high-performance enzyme@meso-HOF biocatalysts.","Chemical science","2024","15","41","16987","16996","10.1039/d4sc04619f","","","1.54184","CuKα","","0.0754","0.0668","","","0.1993","0.2112","","","","","","1.026","","","","has coordinates","296364","2024-12-06","16:24:16",""
"1572620","29.2025","0.0013","6.5188","0.0002","23.6035","0.0011","90","","116.637","0.001","90","","4016.4","0.3","170","2","170","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 O12 -","- C44 H52 O12 -","- C176 H208 O48 -","4","0.5","","Zhu, Weijie; Zhao, Bohan; Fang, Shuai; Zhu, Huangtianzhi; Huang, Feihe","An anthracene-containing crown ether: synthesis, host-guest properties and modulation of solid state luminescence.","Chemical science","2024","15","39","16300","16306","10.1039/d4sc05077k","","","0.71073","MoKα","","0.0569","0.0422","","","0.1061","0.1178","","","","","","1.045","","","","has coordinates","296395","2024-12-06","16:43:07",""
"1572621","13.1957","0.0008","19.8927","0.0013","9.9873","0.0006","90","","112.009","0.004","90","","2430.6","0.3","277","","277","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 N4 O10 -","- C54 H50 N4 O10 -","- C108 H100 N8 O20 -","2","0.5","","Zhu, Weijie; Zhao, Bohan; Fang, Shuai; Zhu, Huangtianzhi; Huang, Feihe","An anthracene-containing crown ether: synthesis, host-guest properties and modulation of solid state luminescence.","Chemical science","2024","15","39","16300","16306","10.1039/d4sc05077k","","","1.34139","GaKα","","0.1985","0.1237","","","0.2647","0.303","","","","","","1.06","","","","has coordinates,has disorder","296395","2024-12-06","16:43:07",""
"1572622","7.7436","0.0017","9.132","0.002","12.604","0.003","108.398","0.004","91.815","0.004","108.545","0.004","793.1","0.3","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.75 H1.75 Cd0.25 N0.75 O1.75 S0.25 -","- C3.75 H1.75 Cd0.25 N0.75 O1.75 S0.25 -","- C30 H14 Cd2 N6 O14 S2 -","8","4","","Ma, Lin; Zhang, Tiexin; Li, Mochen; Zhang, Xu; Li, Lanqiao; Shi, Yusheng; Cai, Rui; Yang, Xueming; Duan, Chunying","Electron transport chain-inspired coordination polymers for macroscopic spatiotemporal scales of charge separation and transport in photocatalysis.","Chemical science","2024","15","41","17150","17160","10.1039/d4sc05592f","","","0.71073","MoKα","","0.0755","0.0513","","","0.1016","0.1095","","","","","","1.082","","","","has coordinates,has disorder","296369","2024-12-06","16:28:44",""
"1572623","9.8187","0.0001","13.4677","0.0001","20.2736","0.0001","90","","103.365","0.001","90","","2608.28","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B Cl4 Cu N2 O2 -","- C24 H26 B Cl4 Cu N2 O2 -","- C96 H104 B4 Cl16 Cu4 N8 O8 -","4","1","","Chen, Ting-An; Staples, Richard J.; Warren, Timothy H.","Copper catalyzed benzylic sp<sup>3</sup> C-H alkenylation.","Chemical science","2024","15","42","17685","17690","10.1039/d4sc03430a","","x-ray","1.54184","CuKα","","0.0322","0.0305","","","0.0803","0.0813","","","","","","1.075","","","","has coordinates","296389","2024-12-06","16:38:47",""
"1572624","17.6807","0.0002","16.85029","0.00018","20.0632","0.0002","90","","92.0395","0.001","90","","5973.54","0.11","99.9","0.5","99.9","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 Cu2 F12 N4 -","- C62 H76 Cu2 F12 N4 -","- C248 H304 Cu8 F48 N16 -","4","0.5","","Chen, Ting-An; Staples, Richard J.; Warren, Timothy H.","Copper catalyzed benzylic sp<sup>3</sup> C-H alkenylation.","Chemical science","2024","15","42","17685","17690","10.1039/d4sc03430a","","x-ray","1.54184","CuKα","","0.038","0.0371","","","0.0921","0.0928","","","","","","1.058","","","","has coordinates,has disorder","296389","2024-12-06","16:38:48",""
"1572625","14.9701","0.0003","24.0962","0.0006","15.7004","0.0004","90","","116.04","0.001","90","","5088.6","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53.64 H68.34 Cl2.02 N9 O3.43 -","- C53.639 H68.338 Cl2.024 N9 O3.434 -","- C214.556 H273.352 Cl8.096 N36 O13.736 -","4","1","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","x-ray","1.54178","CuKα","","0.0506","0.048","","","0.1308","0.1331","","","","","","1.036","","","","has coordinates,has disorder","296401","2024-12-06","16:45:16",""
"1572626","14.9459","0.0006","15.2203","0.0007","18.4006","0.0008","67.614","0.003","81.558","0.003","68.56","0.003","3602.4","0.3","107","","107","","","","","","","","","6","P -1","-P 1","2","","","","- C57.3 H75.9 Cl3 N9 O12.41 S1.65 -","- C57.3 H75.9 Cl3 N9 O12.4166 S1.65 -","- C114.6 H151.8 Cl6 N18 O24.8332 S3.3 -","2","1","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","","1.54178","CuKα","","0.1968","0.1361","","","0.3432","0.3934","","","","","","1.295","","","","has coordinates,has disorder","296401","2024-12-06","16:45:17",""
"1572627","13.046","0.001","25.708","0.002","27.482","0.002","113.091","0.005","99.699","0.005","92.773","0.005","8290.6","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64.2 H67 F15.31 N9 O17.7 -","- C64.205 H67 F15.3075 N9 O17.705 -","- C256.82 H268 F61.23 N36 O70.82 -","4","2","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","","1.54178","CuKα","","0.1366","0.1091","","","0.306","0.3349","","","","","","1.367","","","","has coordinates,has disorder","296401","2024-12-06","16:45:17",""
"1572628","14.8832","0.0002","32.8405","0.0005","15.324","0.0002","90","","102.804","0.0007","90","","7303.69","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65.04 H85.33 I3 N14.52 O8.39 -","- C65.038 H85.337 I3 N14.519 O8.385 -","- C260.152 H341.348 I12 N58.076 O33.54 -","4","1","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","x-ray","1.54178","CuKα","","0.0367","0.0355","","","0.1003","0.1012","","","","","","1.039","","","","has coordinates,has disorder","296401","2024-12-06","16:45:17",""
"1572629","20.3056","0.0008","22.3996","0.0009","37.5185","0.0012","82.015","0.003","84.918","0.003","83.158","0.003","16733.9","1.1","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C264.23 H177.12 Ag20 Au Cu12 F68.11 P5.75 S26 -","- C264.2 H177.09 Ag20 Au Cu12 F68.11 P5.75 S26 -","- C528.4 H354.18 Ag40 Au2 Cu24 F136.22 P11.5 S52 -","2","1","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","x-ray","1.54186","CuKα","","0.1303","0.0997","","","0.2746","0.3009","","","","","","1.015","","","","has coordinates,has disorder","296428","2024-12-06","16:57:33",""
"1572630","34.523","0.004","34.523","0.004","82.326","0.009","90","","90","","120","","84974","17","120","","120","","","","","","","","","9","R -3 :H","-R 3","148","","","","- C864 H588 Ag56 Au4 Cl Cu40 F216 P20 S72 -","- C864 H588 Ag56 Au4 Cl Cu40 F216 P20 S72 -","- C2592 H1764 Ag168 Au12 Cl3 Cu120 F648 P60 S216 -","3","0.166667","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","x-ray","1.54186","CuKα","","0.1489","0.0954","","","0.2882","0.3291","","","","","","1.023","","","","has coordinates,has disorder","296428","2024-12-06","16:57:33",""
"1572631","28.6272","0.0009","28.6272","0.0009","108.574","0.005","90","","90","","120","","77057","5","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C336 H225 Ag26 Cu17 F90 P7 S30 -","- C336 H225 Ag26 Cu17 F90 P7 S30 -","- C2016 H1350 Ag156 Cu102 F540 P42 S180 -","6","0.333333","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","x-ray","1.54186","CuKα","","0.0544","0.043","","","0.1223","0.1309","","","","","","1.024","","","","has coordinates,has disorder","296428","2024-12-06","16:57:33",""
"1572632","41.4184","0.0015","29.7952","0.0015","47.331","0.002","90","","91.097","0.003","90","","58399","4","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C372 H255 Ag27 Au2 Cl14 Cu28 F90 P9 S33 -","- C372 H255 Ag27 Au2 Cl14 Cu28 F90 P9 S33 -","- C1488 H1020 Ag108 Au8 Cl56 Cu112 F360 P36 S132 -","4","1","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","","1.54186","CuKα","","0.1678","0.0708","","","0.1744","0.2025","","","","","","0.713","","","","has coordinates","296428","2024-12-06","16:57:33",""
"1572633","49.3794","0.0003","49.3794","0.0003","28.6911","0.0005","90","","90","","120","","60585.6","1.2","100","0.1","100","0.1","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C384 H348 N30 Zn6 -","- C384 H348 N30 Zn6 -","- C1536 H1392 N120 Zn24 -","4","0.333333","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.132","0.1041","","","0.3224","0.3558","","","","","","1.067","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572634","49.745","0.00017","49.745","0.00017","55.2247","0.0004","90","","90","","120","","118348","1","100","0.1","100","0.1","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C384 H348 N30 Zn6 -","- C384 H348 N30 Zn6 -","- C3072 H2784 N240 Zn48 -","8","0.666667","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.1759","0.1474","","","0.4219","0.4794","","","","","","1.028","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572635","20.6135","0.0002","38.7108","0.0003","39.1085","0.0004","81.878","0.001","80.21","0.001","74.897","0.001","29535.9","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C390 H352 Cl2 N30 Zn6 -","- C390 H352 Cl2 N30 Zn6 -","- C780 H704 Cl4 N60 Zn12 -","2","1","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.2045","0.1815","","","0.5064","0.5353","","","","","","1.03","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572636","20.1388","0.0003","53.4956","0.0007","31.8306","0.0004","90","","106.792","0.001","90","","32830.1","0.8","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C240 H172 Cl8 N12 -","- C240 H172 Cl8 N12 -","- C960 H688 Cl32 N48 -","4","0.5","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.1626","0.1395","","","0.4051","0.4512","","","","","","1.016","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572637","13.4271","0.0005","13.9487","0.0004","19.3551","0.0008","102.551","0.003","105.385","0.004","106.129","0.003","3187.5","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H65 B N2 -","- C70 H65 B N2 -","- C140 H130 B2 N4 -","2","1","","Wang, Jingxiang; Chen, Dongyang; Moreno-Naranjo, Juan Manuel; Zinna, Francesco; Frédéric, Lucas; Cordes, David B.; McKay, Aidan P.; Fuchter, Matthew J.; Zhang, Xiaohong; Zysman-Colman, Eli","Helically chiral multiresonant thermally activated delayed fluorescent emitters and their use in hyperfluorescent organic light-emitting diodes.","Chemical science","2024","15","41","16917","16927","10.1039/d4sc03478c","","x-ray","0.71073","MoKα","","0.1386","0.0983","","","0.2922","0.3208","","","","","","1.027","","","","has coordinates","296366","2024-12-06","16:26:05",""
"1572638","10.53694","0.00004","20.05694","0.00009","33.47918","0.00014","90","","90","","90","","7075.45","0.05","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C89 H90 B N3 O2 -","- C89 H90 B N3 O2 -","- C356 H360 B4 N12 O8 -","4","1","","Wang, Jingxiang; Chen, Dongyang; Moreno-Naranjo, Juan Manuel; Zinna, Francesco; Frédéric, Lucas; Cordes, David B.; McKay, Aidan P.; Fuchter, Matthew J.; Zhang, Xiaohong; Zysman-Colman, Eli","Helically chiral multiresonant thermally activated delayed fluorescent emitters and their use in hyperfluorescent organic light-emitting diodes.","Chemical science","2024","15","41","16917","16927","10.1039/d4sc03478c","","x-ray","1.54184","CuKα","","0.0382","0.0371","","","0.102","0.1038","","","","","","1.024","","","","has coordinates,has disorder","296366","2024-12-06","16:26:05",""
"1572639","15.7586","0.0007","19.2635","0.0007","14.1296","0.0005","90","","90","","90","","4289.3","0.3","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Au O2.5 P -","- C24 H28 Au O2.5 P -","- C192 H224 Au8 O20 P8 -","8","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0427","0.0245","","","0.0457","0.0508","","","","","","1.016","","","","has coordinates,has disorder","296427","2024-12-06","16:55:51",""
"1572640","11.279","0.004","13.765","0.003","29.733","0.009","90","","94.479","0.014","90","","4602","2","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H65 Au B9 Cl N4 O2 P2 -","- C32.5 H65 Au B9 Cl N4 O2 P2 -","- C130 H260 Au4 B36 Cl4 N16 O8 P8 -","4","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0827","0.071","","","0.1569","0.1619","","","","","","1.199","","","","has coordinates,has disorder","296427","2024-12-06","16:55:54",""
"1572641","10.7611","0.0007","14.4997","0.0009","13.7734","0.0008","90","","98.291","0.002","90","","2126.6","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Au Cl2 O2 P -","- C22 H22 Au Cl2 O2 P -","- C88 H88 Au4 Cl8 O8 P4 -","4","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0202","0.0153","","","0.0359","0.0373","","","","","","1.042","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572642","19.4759","0.0013","17.3049","0.0011","10.6632","0.0006","90","","102.725","0.002","90","","3505.5","0.4","193","2","193","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C19 H46 Au B9 Cl5 N4 P2 -","- C19 H46 Au B9 Cl5 N4 P2 -","- C76 H184 Au4 B36 Cl20 N16 P8 -","4","0.5","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0462","0.0386","","","0.1062","0.1107","","","","","","1.087","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572643","28.7347","0.0009","28.7347","0.0009","20.9068","0.001","90","","90","","120","","14949.7","1","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.32 H43.3 Au O2.33 P -","- C31.32 H43.3 Au O2.33 P -","- C563.76 H779.4 Au18 O41.94 P18 -","18","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.044","0.0294","","","0.0682","0.0766","","","","","","1.068","","","","has coordinates,has disorder","296427","2024-12-06","16:55:54",""
"1572644","9.5342","0.0008","17.6708","0.0015","10.3038","0.0009","90","","95.66","0.002","90","","1727.5","0.3","192","2","192","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H49 Au B9 N4 O2 P2 -","- C24 H49 Au B9 N4 O2 P2 -","- C48 H98 Au2 B18 N8 O4 P4 -","2","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.044","0.0331","","","0.0694","0.0732","","","","","","1.024","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572645","15.3901","0.0011","15.6458","0.0009","19.214","0.0011","90","","90","","90","","4626.5","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Au Cl4 O2 P -","- C22 H20 Au Cl4 O2 P -","- C176 H160 Au8 Cl32 O16 P8 -","8","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","x-ray","1.54178","CuKα","","0.0247","0.0219","","","0.052","0.0534","","","","","","1.12","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572646","20.6538","0.0002","25.2668","0.0002","25.4854","0.0002","119.028","0.001","90.191","0.001","112.348","0.001","10461.4","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","potassium pivaloylmethanate","","- C90 H161.64 K6 O18 -","- C90 H161.639 K6 O18 -","- C360 H646.558 K24 O72 -","4","2","","Masero, Fabio; Mougel, Victor","Chemical and redox non-innocence in low-valent molybdenum β diketonate complexes: novel pathways for CO<sub>2</sub> and CS<sub>2</sub> activation.","Chemical science","2024","15","41","16954","16965","10.1039/d4sc03496a","","x-ray","1.54184","CuKα","","0.1187","0.0949","","","0.2747","0.2996","","","","","","1.058","","","","has coordinates,has disorder","296363","2024-12-06","16:24:00",""
"1572647","12.3218","0.0004","15.3674","0.0005","20.1514","0.0006","90","","90","","90","","3815.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Br2 Mn O2 P2 -","- C44 H32 Br2 Mn O2 P2 -","- C176 H128 Br8 Mn4 O8 P8 -","4","1","","Kong, De-Hao; Wu, Yue; Shi, Cui-Mi; Zeng, Hao; Xu, Liang-Jin; Chen, Zhong-Ning","Highly efficient circularly polarized electroluminescence based on chiral manganese(ii) complexes.","Chemical science","2024","15","40","16698","16704","10.1039/d4sc04748f","","","1.54178","CuKα","","0.0241","0.0238","","","0.057","0.0572","","","","","","1.061","","","","has coordinates","296425","2024-12-06","16:54:46",""
"1572648","12.2709","0.0005","15.4159","0.0006","20.1625","0.0008","90","","90","","90","","3814.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Br2 Mn O2 P2 -","- C44 H32 Br2 Mn O2 P2 -","- C176 H128 Br8 Mn4 O8 P8 -","4","1","","Kong, De-Hao; Wu, Yue; Shi, Cui-Mi; Zeng, Hao; Xu, Liang-Jin; Chen, Zhong-Ning","Highly efficient circularly polarized electroluminescence based on chiral manganese(ii) complexes.","Chemical science","2024","15","40","16698","16704","10.1039/d4sc04748f","","","1.54178","CuKα","","0.055","0.0499","","","0.1288","0.1325","","","","","","1.035","","","","has coordinates","296425","2024-12-06","16:54:48",""
"1572662","11.1755","0.0013","29.096","0.003","18.61","0.002","90","","105.731","0.005","90","","5824.6","1.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C77 H61 Cu N2 -","- C77 H61 Cu N2 -","- C308 H244 Cu4 N8 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.052","0.0415","","","0.1054","0.114","","","","","","1.032","","","","has coordinates","296386","2024-12-06","16:37:33",""
"1572663","14.7045","0.0014","25.388","0.002","19.6946","0.0017","90","","94.099","0.004","90","","7333.5","1.1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H75 Cu F2 N2 O S -","- C95 H75 Cu F2 N2 O S -","- C380 H300 Cu4 F8 N8 O4 S4 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0874","0.0799","","","0.1813","0.1857","","","","","","1.105","","","","has coordinates,has disorder","296386","2024-12-06","16:37:42",""
"1572664","14.389","0.006","19.498","0.009","25.095","0.011","88.045","0.01","89.523","0.012","84.392","0.012","7003","5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C87 H79 Cl2 Cu N2 O3 -","- C87 H79 Cl2 Cu N2 O3 -","- C348 H316 Cl8 Cu4 N8 O12 -","4","2","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0611","0.0534","","","0.1322","0.1375","","","","","","1.045","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572665","33.633","0.003","12.0225","0.0012","14.4644","0.0015","90","","90","","90","","5848.7","1","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C77 H61 Cu N2 O2 -","- C77 H61 Cu N2 O2 -","- C308 H244 Cu4 N8 O8 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0244","0.0239","","","0.065","0.0654","","","","","","1.034","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572666","17.6667","0.0015","23.566","0.002","34.121","0.003","90","","90","","90","","14206","2","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H69 Cu F2 N2 O3 -","- C90 H69 Cu F2 N2 O3 -","- C720 H552 Cu8 F16 N16 O24 -","8","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0644","0.046","","","0.1031","0.1129","","","","","","1.134","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572667","21.973","0.0003","19.4588","0.0004","45.8368","0.0009","90","","90","","90","","19598.4","0.6","100","2","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H66 Cu2 Fe2 P4 -","- C84 H66 Cu2 Fe2 P4 -","- C1008 H792 Cu24 Fe24 P48 -","12","1.5","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0488","0.0443","","","0.106","0.1087","","","","","","1.16","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572668","11.1609","0.0007","22.9772","0.0009","24.3876","0.0009","90","","93.141","0.002","90","","6244.7","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H67 Cu N2 O -","- C84 H67 Cu N2 O -","- C336 H268 Cu4 N8 O4 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0572","0.0528","","","0.1329","0.1355","","","","","","1.059","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572669","13.2312","0.0012","13.3247","0.0012","23.32","0.002","86.812","0.003","83.797","0.003","63.701","0.003","3664.1","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C95.25 H79.51 Cu F2 N2 O -","- C95.248 H79.512 Cu F2 N2 O -","- C190.496 H159.024 Cu2 F4 N4 O2 -","2","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.049","0.0452","","","0.1173","0.1202","","","","","","1.019","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572670","11.1621","0.0006","28.8506","0.0019","18.6601","0.0012","90","","105.503","0.002","90","","5790.5","0.6","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H59 Cu N2 S -","- C75 H59 Cu N2 S -","- C300 H236 Cu4 N8 S4 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0392","0.0362","","","0.0993","0.1017","","","","","","1.021","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572671","13.262","0.0008","13.3089","0.0008","23.2168","0.0014","86.485","0.002","83.009","0.002","63.633","0.002","3644.1","0.4","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C93.21 H73.75 Cl2 Cu F2 N2 O -","- C93.209 H73.746 Cl2 Cu F2 N2 O -","- C186.418 H147.492 Cl4 Cu2 F4 N4 O2 -","2","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0414","0.0391","","","0.0992","0.1009","","","","","","1.049","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572672","13.6127","0.0007","24.0012","0.001","26.5094","0.0014","90","","90.423","0.002","90","","8660.9","0.7","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C452 H344 Cu8 P16 -","- C440 H320 Cu8 P16 -","- C440 H320 Cu8 P16 -","1","0.5","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0312","0.0292","","","0.0742","0.0752","","","","","","1.019","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572675","12.778","0.005","16.435","0.005","21.845","0.005","82.66","0.005","82.881","0.005","80.64","0.005","4464","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H105 Fe2 N15 O14 -","- C94 H105 Fe2 N15 O14 -","- C188 H210 Fe4 N30 O28 -","2","1","","Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad","Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.","Chemical science","2024","15","42","17407","17417","10.1039/d4sc05432f","","","0.71069","MoKα","","0.1281","0.0699","","","0.1499","0.1769","","","","","","1.021","","","","has coordinates,has disorder","296388","2024-12-06","16:38:28",""
"1572676","24.4285","0.0014","17.2727","0.0014","23.7474","0.0015","90","","98.248","0.003","90","","9916.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H143 Fe2 N9 O2 -","- C110 H143 Fe2 N9 O2 -","- C440 H572 Fe8 N36 O8 -","4","0.5","","Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad","Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.","Chemical science","2024","15","42","17407","17417","10.1039/d4sc05432f","","","0.71073","MoKα","","0.0442","0.0352","","","0.0842","0.0902","","","","","","1.061","","","","has coordinates","296388","2024-12-06","16:38:29",""
"1572677","34.122","0.003","14.8098","0.0017","35.216","0.004","90","","100.218","0.01","90","","17514","3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C94 H101 F10 Fe2 N9 O2 -","- C94 H101 F10 Fe2 N9 O2 -","- C752 H808 F80 Fe16 N72 O16 -","8","1","","Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad","Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.","Chemical science","2024","15","42","17407","17417","10.1039/d4sc05432f","","","0.71073","MoKα","","0.1726","0.0821","","","0.1846","0.2435","","","","","","1.013","","","","has coordinates","296388","2024-12-06","16:38:29",""
"1572688","15.929","0.002","13.377","0.002","31.338","0.005","90","","98.093","0.006","90","","6611.1","1.7","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 F3 N2 O S Si2 Y -","- C28 H40 F3 N2 O S Si2 Y -","- C224 H320 F24 N16 O8 S8 Si16 Y8 -","8","1","","Wang, Xiuling; Wang, Yang; Qin, Zhonglei; Shen, Liying; Shi, Xiaochao","Polymerization of isoprene and butadiene with unparalleled stereoselectivity catalysed by rare-earth metal cationic species bearing a novel tridentate ligand","Polymer Chemistry","2024","15","41","4255","4263","10.1039/D4PY00781F","","","0.71073","MoKα","","0.071","0.0577","","","0.1512","0.1616","","","","","","1.03","","","","has coordinates","296714","2024-12-06","20:53:08",""
"1572691","21.073","0.006","6.658","0.002","21.467","0.006","90","","117.635","0.006","90","","2668.3","1.3","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1202_GT_iboga_Wayama","","- C27 H34 N2 O5 Si -","- C27 H34 N2 O5 Si -","- C108 H136 N8 O20 Si4 -","4","1","","Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki","Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.","Chemical science","2024","15","38","15599","15609","10.1039/d4sc02597k","","","0.71073","MoKα","","0.2993","0.0879","","","0.2275","0.3378","","","","","","0.893","","","","has coordinates","295202","2024-10-06","07:12:58",""
"1572692","10.9336","0.0004","17.7838","0.0005","13.0108","0.0004","90","","102.254","0.003","90","","2472.19","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 Cl2 Fe N7 P3 -","- C19 H30 Cl2 Fe N7 P3 -","- C76 H120 Cl8 Fe4 N28 P12 -","4","1","","Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki","Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.","Chemical science","2024","15","38","15599","15609","10.1039/d4sc02597k","","","0.71073","MoKα","","0.0385","0.0307","","","0.075","0.079","","","","","","1.037","","","","has coordinates","295202","2024-10-06","07:12:59",""
"1572693","10.4706","0.0018","11.081","0.002","18.106","0.003","90","","97.388","0.004","90","","2083.3","0.6","109","","109","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bowl-type scaffold","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","","Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki","Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.","Chemical science","2024","15","38","15599","15609","10.1039/d4sc02597k","","","0.71073","MoKα","","0.1976","0.0772","","","0.1655","0.2437","","","","","","0.955","","","","has coordinates","295202","2024-10-06","07:12:59",""
"1572697","20.291","0.002","5.8861","0.0006","14.4945","0.0014","90","","128.653","0.004","90","","1351.9","0.2","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu","Flexible organic crystals with multi-stimuli-responsive CPL for broadband multicolor optical waveguides.","Chemical science","2024","15","42","17444","17452","10.1039/d4sc05005c","","","1.54178","CuKα","","0.0528","0.0431","","","0.1078","0.1179","","","","","","1.046","","","","has coordinates","296385","2024-12-06","16:36:48",""
"1572698","20.0857","0.0012","5.8189","0.0004","14.3076","0.0009","90","","128.517","0.002","90","","1308.39","0.15","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu","Flexible organic crystals with multi-stimuli-responsive CPL for broadband multicolor optical waveguides.","Chemical science","2024","15","42","17444","17452","10.1039/d4sc05005c","","","1.54178","CuKα","","0.0428","0.0401","","","0.0975","0.1005","","","","","","1.082","","","","has coordinates","296385","2024-12-06","16:36:49",""
"1572699","12.704","0.004","13.535","0.004","14.921","0.003","90","","90","","90","","2565.6","1.2","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 N4 Si Zn -","- C14 H18 F6 N4 Si Zn -","- C56 H72 F24 N16 Si4 Zn4 -","4","0.5","","O'Hearn, Daniel J; Sensharma, Debobroto; Raza, Asif; Bezrukov, Andrey A.; Vandichel, Matthias; Mukherjee, Soumya; Zaworotko, Michael J.","Crystal engineering of a new platform of hybrid ultramicroporous materials and their C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation properties.","Chemical science","2024","15","43","17937","17943","10.1039/d4sc03029j","","","1.54184","CuKα","","0.1088","0.0709","","","0.1692","0.1914","","","","","","0.979","","","","has coordinates","296372","2024-12-06","16:30:55",""
"1572700","16.713","0.0015","8.6188","0.001","9.356","0.0008","90","","103.976","0.009","90","","1307.8","0.2","240","0.1","240","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DTST","","- C26 H20 N4 O4 S2 -","- C26 H20 N4 O4 S2 -","- C52 H40 N8 O8 S4 -","2","0.5","","Sun, Hui-Li; Zhang, Qiang-Sheng; Wang, Zhong-Hao; Huang, Yan-Ting; Pan, Mei","Long-persistent luminescence by host-guest Förster resonance energy transfer.","Chemical science","2024","15","42","17600","17607","10.1039/d4sc04746j","","x-ray","1.54184","CuKα","","0.0535","0.0471","","","0.1245","0.131","","","","","","1.116","","","","has coordinates","296391","2024-12-06","16:39:18",""
"1572701","8.589","0.0005","13.184","0.0008","39.0756","0.0017","90","","90","","90","","4424.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","DPDA","","- C25 H18 N3 O7 -","- C25 H18 N3 O7 -","- C200 H144 N24 O56 -","8","1","","Sun, Hui-Li; Zhang, Qiang-Sheng; Wang, Zhong-Hao; Huang, Yan-Ting; Pan, Mei","Long-persistent luminescence by host-guest Förster resonance energy transfer.","Chemical science","2024","15","42","17600","17607","10.1039/d4sc04746j","","x-ray","1.54184","CuKα","","0.0702","0.0489","","","0.1236","0.1362","","","","","","1.042","","","","has coordinates","296391","2024-12-06","16:39:18",""
"1572702","9.0653","0.0002","8.3658","0.0002","20.4585","0.0005","90","","94.228","0.002","90","","1547.32","0.06","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C32 H36 Br2 N2 O4 -","- C32 H36 Br2 N2 O4 -","- C64 H72 Br4 N4 O8 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.54184","CuKα","","0.0765","0.0753","","","0.208","0.2102","","","","","","1.072","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572703","8.6414","0.0004","10.489","0.0005","11.9877","0.0006","90","","95.388","0.002","90","","1081.76","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","Synchrotron","GaKα","0.0526","0.05","","","0.1304","0.1333","","","","","","1.051","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572704","11.676","0.0005","9.3251","0.0004","13.9069","0.0005","90","","93.036","0.001","90","","1512.06","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 Br2 N2 O4 -","- C32 H36 Br2 N2 O4 -","- C64 H72 Br4 N4 O8 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","Synchrotron","GaKα","0.0289","0.0279","","","0.0687","0.0693","","","","","","1.046","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1572705","15.9463","0.0003","15.9463","0.0003","35.1878","0.0011","90","","90","","90","","8947.7","0.4","170","2","170","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C48 H48 Cl3.5 F2 N4 -","- C48 H48 Cl3.5 F2 N4 -","- C384 H384 Cl28 F16 N32 -","8","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","","0.71073","MoKα","","0.0889","0.0757","","","0.2198","0.2383","","","","","","1.072","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1572706","13.8368","0.0013","22.1444","0.0019","17.5091","0.0016","90","","110.064","0.004","90","","5039.3","0.8","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C119 H140 N8 O13 -","- C119 H140 N8 O13 -","- C238 H280 N16 O26 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","","1.34139","GaKα","","0.0962","0.0676","","","0.169","0.1908","","","","","","1.09","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1572707","15.9913","0.0015","19.7892","0.0019","21.961","0.002","112.136","0.004","107.694","0.004","95.621","0.004","5952.5","1","170","2","170","","","","","","","","","5","P 1","P 1","1","","","","- C104 H110 Br4 N10 O10 -","- C104 H110 Br4 N10 O10 -","- C208 H220 Br8 N20 O20 -","2","2","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","GaKα","","0.1033","0.0674","","","0.1804","0.2034","","","","","","0.947","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572708","40.326","0.002","20.5209","0.0011","16.032","0.0009","90","","110.733","0.002","90","","12407.7","1.2","170","","170","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C103 H104 Br4 Cl2 N10 O8 -","- C103 H104 Br4 Cl2 N10 O8 -","- C412 H416 Br16 Cl8 N40 O32 -","4","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","GaKα","","0.1158","0.0713","","","0.1911","0.2218","","","","","","0.959","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572709","41.3673","0.0006","24.2477","0.0003","9.2397","0.0002","90","","90","","90","","9268","0.3","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C96 H49 Bi2 Co2 N8 O16 -","- C96 H50 Bi2 Co2 N8 O18 -","- C384 H200 Bi8 Co8 N32 O72 -","4","1","","He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu","Boosting photothermal conversion through array aggregation of metalloporphyrins in bismuth-based coordination frameworks.","Chemical science","2024","15","42","17498","17505","10.1039/d4sc04063e","","x-ray","1.3405","GaKα","","0.0637","0.0607","","","0.1525","0.1545","","","","","","1.047","","","","has coordinates","296384","2024-12-06","16:36:38",""
"1572710","41.7558","0.0005","24.304","0.0003","9.2689","0.0001","90","","90","","90","","9406.39","0.19","199.99","0.1","199.99","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C96 Bi2 N8 Ni2 O16 -","- C96 Bi2 N8 Ni2 O16 -","- C384 Bi8 N32 Ni8 O64 -","4","1","","He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu","Boosting photothermal conversion through array aggregation of metalloporphyrins in bismuth-based coordination frameworks.","Chemical science","2024","15","42","17498","17505","10.1039/d4sc04063e","","x-ray","1.3405","GaKα","","0.0814","0.0707","","","0.1856","0.192","","","","","","1.073","","","","has coordinates","296384","2024-12-06","16:36:38",""
"1572714","11.321","0.003","11.321","","9.154","0.003","90","","90","","90","","1173.2","0.5","293","2","293.15","","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H26 Ag2 N4 O13 -","- C16 H26 Ag2 N4 O13 -","- C32 H52 Ag4 N8 O26 -","2","0.125","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0299","0.0293","","","0.0811","0.0817","","","","","","1.149","","","","has coordinates,has disorder","296379","2024-12-06","16:33:59",""
"1572715","11.3504","0.0005","11.3504","0.0005","8.7443","0.0004","90","","90","","90","","1126.54","0.09","122","2","122","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C16 H24 Ag Cs N4 O12 -","- C16 H24 Ag Cs N4 O12 -","- C32 H48 Ag2 Cs2 N8 O24 -","2","0.125","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.023","0.0218","","","0.0511","0.0518","","","","","","1.133","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572716","8.2595","0.0005","9.1546","0.0006","9.1795","0.0006","64.956","0.002","67.171","0.002","87.677","0.002","573.17","0.07","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N4 Na2 O12 Pd -","- C16 H24 N4 Na2 O12 Pd -","- C16 H24 N4 Na2 O12 Pd -","1","0.5","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0184","0.018","","","0.0446","0.0448","","","","","","1.093","","","","has coordinates,has disorder","296379","2024-12-06","16:33:59",""
"1572717","9.7035","0.0006","13.0999","0.0008","13.5608","0.0009","68.125","0.002","73.051","0.002","76.873","0.002","1516.49","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Ag Cs N2 O8 -","- C8 H16 Ag Cs N2 O8 -","- C32 H64 Ag4 Cs4 N8 O32 -","4","2","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0346","0.0218","","","0.0419","0.0451","","","","","","1.026","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572718","11.3963","0.0009","11.3963","0.0009","8.5069","0.0006","90","","90","","90","","1104.84","0.15","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C32 H48 Ag2 N8 O24 Rb2 -","- C32 H48 Ag2 N8 O24 Rb2 -","- C32 H48 Ag2 N8 O24 Rb2 -","1","0.0625","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0305","0.0214","","","0.0438","0.0459","","","","","","1.125","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572719","11.554","0.004","11.554","","8.42","0.003","90","","90","","90","","1124","0.6","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","potassium tetrasuccinimidatoargentate(III)","","- C2 H3 Ag0.12 K0.12 N0.5 O1.5 -","- C2 H3 Ag0.125 K0.125 N0.5 O1.5 -","- C32 H48 Ag2 K2 N8 O24 -","16","1","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0143","0.0143","","","0.0398","0.0398","","","","","","1.209","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572730","12.2018","0.0002","16.4476","0.0002","16.9585","0.0003","68.442","0.001","69.632","0.002","79.14","0.001","2960.26","0.09","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H57 La2 Li N8 O38 P10 -","- C34 H51 La2 Li N8 O38 P10 -","- C68 H102 La4 Li2 N16 O76 P20 -","2","1","","Ma, Yu-Juan; Xu, Fei; Ren, Xin-Ye; Chen, Fan-Yao; Pan, Jie; Li, Jin-Hua; Han, Song-De; Wang, Guo-Ming","A photoinduced electron-transfer strategy for switchable fluorescence and phosphorescence in lanthanide-based coordination polymers.","Chemical science","2024","15","42","17642","17651","10.1039/d4sc04632c","","","0.71073","MoKα","","0.0356","0.0297","","","0.0757","0.0785","","","","","","1.053","","","","has coordinates","296390","2024-12-06","16:39:03",""
"1572731","12.1985","0.0002","16.4328","0.0003","16.9643","0.0004","68.463","0.002","69.625","0.002","79.152","0.002","2958.13","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H57 La2 Li N8 O38 P10 -","- C34 H51 La2 Li N8 O38 P10 -","- C68 H102 La4 Li2 N16 O76 P20 -","2","1","","Ma, Yu-Juan; Xu, Fei; Ren, Xin-Ye; Chen, Fan-Yao; Pan, Jie; Li, Jin-Hua; Han, Song-De; Wang, Guo-Ming","A photoinduced electron-transfer strategy for switchable fluorescence and phosphorescence in lanthanide-based coordination polymers.","Chemical science","2024","15","42","17642","17651","10.1039/d4sc04632c","","","0.71073","MoKα","","0.0387","0.0334","","","0.0838","0.0859","","","","","","1.118","","","","has coordinates","296390","2024-12-06","16:39:04",""
"1572732","15.9465","0.0004","14.8115","0.0004","22.4995","0.0007","90","","90","","90","","5314.2","0.3","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H32 B2 N2 -","- C31 H32 B2 N2 -","- C248 H256 B16 N16 -","8","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0534","0.0464","","","0.1264","0.1326","","","","","","1.045","","","","has coordinates","296383","2024-12-06","16:36:16",""
"1572733","23.3386","0.0007","22.7872","0.0006","12.1836","0.0004","90","","90","","90","","6479.5","0.3","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62 H64 B4 N4 Se -","- C62 H64 B4 N4 Se -","- C248 H256 B16 N16 Se4 -","4","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0409","0.0357","","","0.0948","0.0972","","","","","","1.048","","","","has coordinates","296383","2024-12-06","16:36:17",""
"1572734","15.6639","0.0006","16.1414","0.0007","23.311","0.001","90","","93.896","0.004","90","","5880.3","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H71 B4 N4 S -","- C65 H71 B4 N4 S -","- C260 H284 B16 N16 S4 -","4","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.103","0.0561","","","0.1238","0.1424","","","","","","1.018","","","","has coordinates","296383","2024-12-06","16:36:17",""
"1572735","14.4403","0.0004","25.7841","0.0009","32.0022","0.0011","90","","90","","90","","11915.4","0.7","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H64 B4 N4 Se4.85 -","- C62 H64 B4 N4 Se4.8501 -","- C496 H512 B32 N32 Se38.8008 -","8","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0941","0.0575","","","0.1209","0.1327","","","","","","1.071","","","","has coordinates,has disorder","296383","2024-12-06","16:36:17",""
"1572736","18.1411","0.0011","18.1411","0.0011","10.1359","0.0009","90","","90","","120","","2888.8","0.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C31 H35 Au Cl N4 -","- C31 H35 Au Cl N4 -","- C93 H105 Au3 Cl3 N12 -","3","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.168","0.0935","","","0.2049","0.2375","","","","","","1.038","","","","has coordinates","296393","2024-12-06","16:41:56",""
"1572737","9.2394","0.0004","13.0032","0.0007","13.1246","0.0007","82.772","0.003","84.032","0.003","85.266","0.003","1551.95","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Au Cl N5 O0 -","- C31 H35 Au Cl N5 -","- C62 H70 Au2 Cl2 N10 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71076","MoKα","","0.0826","0.0634","","","0.1574","0.1694","","","","","","1.136","","","","has coordinates","296393","2024-12-06","16:41:57",""
"1572738","19.51","0.008","10.172","0.004","28.549","0.011","90","","97.256","0.01","90","","5620","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 Au2 B2 Cl2 F10 N8 -","- C57 H60 Au2 B2 Cl2 F10 N8 -","- C228 H240 Au8 B8 Cl8 F40 N32 -","4","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.2442","0.1303","","","0.2571","0.314","","","","","","1.143","","","","has coordinates","296393","2024-12-06","16:41:58",""
"1572739","9.5527","0.0012","13.7464","0.0017","14.2095","0.0015","77.893","0.003","80.575","0.003","80.828","0.003","1784.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H36 Au B Cl2 F4 N4 -","- C37 H36 Au B Cl2 F4 N4 -","- C74 H72 Au2 B2 Cl4 F8 N8 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0878","0.0631","","","0.1186","0.1277","","","","","","1.066","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572740","10.008","0.0004","10.3247","0.0004","16.4908","0.0006","86.08","0.001","89.998","0.001","69.301","0.001","1589.73","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 Au B Cl3 F4 N4 -","- C31 H35 Au B Cl3 F4 N4 -","- C62 H70 Au2 B2 Cl6 F8 N8 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.052","0.0331","","","0.0689","0.0818","","","","","","1.172","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572741","9.3865","0.0019","17.981","0.004","20.354","0.005","90","","98.923","0.006","90","","3393.7","1.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Au2 B2 Cl6 F8 N10 O -","- C62 H68 Au2 B2 Cl6 F8 N10 O -","- C124 H136 Au4 B4 Cl12 F16 N20 O2 -","2","0.5","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.091","0.0715","","","0.1409","0.1488","","","","","","1.17","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572742","9.2528","0.0006","16.3004","0.001","18.1706","0.001","90.162","0.002","95.521","0.003","95.26","0.003","2716.2","0.3","307","2","307","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Au B F4 N4 -","- C28 H30 Au B F4 N4 -","- C112 H120 Au4 B4 F16 N16 -","4","2","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.1658","0.0741","","","0.1372","0.1698","","","","","","1.067","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572743","14.84","0.02","15.5","0.02","16.5","0.03","95.25","0.04","99.16","0.04","108.37","0.03","3515","9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H73 B6 F24 N13 -","- C62 H73 B6 F24 N13 -","- C124 H146 B12 F48 N26 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71076","MoKα","","0.1383","0.0668","","","0.1409","0.1654","","","","","","1.019","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572744","10.54","0.0013","13.2869","0.0019","13.5269","0.0018","87.44","0.004","88.406","0.004","74.202","0.004","1820.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H72 Au2 B2 Cl12 F8 N8 -","- C62 H72 Au2 B2 Cl12 F8 N8 -","- C62 H72 Au2 B2 Cl12 F8 N8 -","1","0.5","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0562","0.0417","","","0.0946","0.1025","","","","","","1.059","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572745","13.4261","0.0012","12.5589","0.0009","16.0123","0.0013","90","","90.397","0.003","90","","2699.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Au B F4 N4 O2 -","- C29 H30 Au B F4 N4 O2 -","- C116 H120 Au4 B4 F16 N16 O8 -","4","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0575","0.0303","","","0.0565","0.0646","","","","","","1.047","","","","has coordinates","296393","2024-12-06","16:41:58",""
"1572746","19.7358","0.0014","17.0365","0.0014","18.688","0.0014","90","","90","","90","","6283.4","0.8","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H35 Au B Cl2 F5 N4 -","- C31 H35 Au B Cl2 F5 N4 -","- C248 H280 Au8 B8 Cl16 F40 N32 -","8","2","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0941","0.0537","","","0.0939","0.1078","","","","","","1.085","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572747","10.2345","0.0004","12.0047","0.0004","13.9944","0.0006","112.256","0.001","111.385","0.002","90.484","0.001","1460.15","0.1","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H26 Br F3 N O3 P S -","- C30 H26 Br F3 N O3 P S -","- C60 H52 Br2 F6 N2 O6 P2 S2 -","2","1","","Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence","Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature.","Chemical science","2024","15","43","17962","17970","10.1039/d4sc05190d","","","0.71073","MoKα","","0.0513","0.0379","","","0.087","0.0961","","","","","","1.012","","","","has coordinates","296377","2024-12-06","16:32:26",""
"1572748","17.628","0.002","7.0992","0.001","13.6449","0.0016","90","","92.821","0.007","90","","1705.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N O2 S -","- C18 H18 F3 N O2 S -","- C72 H72 F12 N4 O8 S4 -","4","1","","Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence","Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature.","Chemical science","2024","15","43","17962","17970","10.1039/d4sc05190d","","","0.71073","MoKα","","0.0796","0.0443","","","0.1183","0.1459","","","","","","0.856","","","","has coordinates","296377","2024-12-06","16:32:27",""
"1572749","11.2161","0.0017","11.2502","0.0018","11.6904","0.0018","89.379","0.005","62.804","0.004","74.413","0.005","1253","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 N O3 P S -","- C29 H28 N O3 P S -","- C58 H56 N2 O6 P2 S2 -","2","1","","Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence","Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature.","Chemical science","2024","15","43","17962","17970","10.1039/d4sc05190d","","","1.54178","CuKα","","0.0423","0.0416","","","0.1345","0.1355","","","","","","1.021","","","","has coordinates","296377","2024-12-06","16:32:27",""
"1572750","10.9166","0.0009","11.0302","0.0009","11.9822","0.001","71.314","0.002","70.32","0.002","84.685","0.002","1286.73","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 N6 O8 Zn -","- C22 H26 Cl2 N6 O8 Zn -","- C44 H52 Cl4 N12 O16 Zn2 -","2","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.046","0.0329","","","0.0758","0.0824","","","","","","1.017","","","","has coordinates","296381","2024-12-06","16:35:04",""
"1572751","8.4126","0.0012","8.7175","0.0012","11.8242","0.0016","68.674","0.004","81.829","0.004","82.012","0.004","795.98","0.19","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","1","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0644","0.045","","","0.0976","0.1039","","","","","","1.045","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572752","9.7462","0.0006","11.2383","0.0007","14.4759","0.0009","84.92","0.002","84.334","0.002","76.057","0.002","1527.87","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 F6 N6 O6 S2 Zn -","- C24 H26 F6 N6 O6 S2 Zn -","- C48 H52 F12 N12 O12 S4 Zn2 -","2","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0533","0.0326","","","0.0684","0.0767","","","","","","1.019","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572753","7.9977","0.0005","24.6887","0.0016","13.6159","0.0009","90","","93.213","0.002","90","","2684.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl N9 O6 Zn -","- C22 H32 Cl N9 O6 Zn -","- C88 H128 Cl4 N36 O24 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0434","0.0336","","","0.082","0.0858","","","","","","1.031","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572754","11.9275","0.001","14.57","0.0012","20.8368","0.0017","90","","104.442","0.003","90","","3506.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Cl2 N6 O9 P Zn -","- C28 H41 Cl2 N6 O9 P Zn -","- C112 H164 Cl8 N24 O36 P4 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0863","0.0461","","","0.0971","0.1117","","","","","","1.026","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572755","32.352","0.006","11.149","0.002","23.519","0.007","90","","128.178","0.005","90","","6669","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H67 Cl3 N14 O13 Zn2 -","- C64 H67 Cl3 N14 O13 Zn2 -","- C256 H268 Cl12 N56 O52 Zn8 -","4","0.5","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1492","0.0605","","","0.1366","0.1799","","","","","","1.01","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572756","14.0967","0.0009","11.9311","0.0008","14.7941","0.0009","90","","90","","90","","2488.2","0.3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C22 H26 Cl N7 O6 Zn -","- C22 H26 Cl N7 O6 Zn -","- C88 H104 Cl4 N28 O24 Zn4 -","4","0.5","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0408","0.0304","","","0.0781","0.0846","","","","","","1.025","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572757","8.5047","0.0013","21.305","0.004","20.512","0.003","90","","92.188","0.005","90","","3713.9","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 Cl2 N8 O9 P Zn -","- C28 H47 Cl2 N8 O9 P Zn -","- C112 H188 Cl8 N32 O36 P4 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0786","0.0507","","","0.1221","0.1367","","","","","","1.032","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572758","9.554","0.003","12.332","0.003","16.893","0.004","109.731","0.007","90.608","0.008","91.289","0.008","1872.7","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 F6 N6 O6 S2 Zn -","- C32 H30 F6 N6 O6 S2 Zn -","- C64 H60 F12 N12 O12 S4 Zn2 -","2","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0755","0.0426","","","0.0995","0.1128","","","","","","1.017","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572759","19.739","0.003","8.1896","0.0012","23.969","0.004","90","","111.897","0.005","90","","3595.2","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl N7 O6 Zn -","- C30 H30 Cl N7 O6 Zn -","- C120 H120 Cl4 N28 O24 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1239","0.0637","","","0.1529","0.1755","","","","","","1.045","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572760","18.1198","0.0016","16.7592","0.0014","20.9767","0.0019","90","","90","","90","","6370.1","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H35 Cl2 N9 O8 Zn -","- C24 H35 Cl2 N9 O8 Zn -","- C192 H280 Cl16 N72 O64 Zn8 -","8","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1002","0.0695","","","0.1398","0.1539","","","","","","1.145","","","","has coordinates,has disorder","296381","2024-12-06","16:35:07",""
"1572761","13.982","0.003","12.019","0.002","23.87","0.005","90","","97.56","0.03","90","","3976.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H37 Cl N8 -","- C49 H36 N8 -","- C196 H144 N32 -","4","1","","Fracassa, Alessandro; Calogero, Francesco; Pavan, Giulio; Nikolaou, Pavlos; Fermi, Andrea; Ceroni, Paola; Paolucci, Francesco; Cozzi, Pier Giorgio; Scattolin, Thomas; Demitri, Nicola; Negri, Fabrizia; Gualandi, Andrea; Aliprandi, Alessandro; Valenti, Giovanni","Tunable electrochemiluminescence of TADF luminophores: manipulating efficiency and unveiling water-soluble emitters.","Chemical science","2024","15","43","17892","17899","10.1039/d4sc04986a","","","0.62","Synchrotron","","0.054","0.0497","","","0.1385","0.1428","","","","","","1.018","","","","has coordinates,has disorder","296380","2024-12-06","16:34:15",""
"1572762","7.9195","0.0006","11.7007","0.0011","14.6519","0.0015","90","","98.998","0.008","90","","1341","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H32.82 N6 O9 Sc -","- C27 H32.818 N6 O9 Sc -","- C54 H65.636 N12 O18 Sc2 -","2","1","","Kelderman, Cormac A. A.; Glaser, Owen M.; Whetter, Jennifer N.; Aluicio-Sarduy, Eduardo; Mixdorf, Jason C.; Sanders, Kyana M.; Guzei, Ilia A.; Barnhart, Todd E.; Engle, Jonathan W.; Boros, Eszter","Charting the coordinative landscape of the <sup>18</sup>F-Sc/<sup>44</sup>Sc/<sup>177</sup>Lu triad with the tri-aza-cyclononane (tacn) scaffold.","Chemical science","2024","15","43","17927","17936","10.1039/d4sc04735d","","x-ray","1.54178","CuKα","K-L~3~","0.0473","0.0441","","","0.1105","0.113","","","","","","1.063","","","","has coordinates,has disorder","296373","2024-12-06","16:31:05",""
"1572763","8.5963","0.0005","14.7551","0.0008","13.323","0.0007","90","","94.308","0.002","90","","1685.11","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 B2 Cl2 -","- C16 H24 B2 Cl2 -","- C64 H96 B8 Cl8 -","4","2","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0675","0.0545","","","0.1415","0.1558","","","","","","1.082","","","","has coordinates","296370","2024-12-06","16:30:14",""
"1572764","11.6102","0.0004","20.6129","0.0008","16.4977","0.0005","90","","95.399","0.001","90","","3930.7","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 B Cl N2 -","- C44 H70 B Cl N2 -","- C176 H280 B4 Cl4 N8 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0478","0.0371","","","0.1012","0.1047","","","","","","1.07","","","","has coordinates","296370","2024-12-06","16:30:14",""
"1572765","8.7428","0.0007","9.4037","0.0008","13.3258","0.0011","80.686","0.003","87.975","0.003","80.672","0.003","1066.79","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 B Br N -","- C23 H35 B Br N -","- C46 H70 B2 Br2 N2 -","2","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0283","0.0242","","","0.0646","0.066","","","","","","1.073","","","","has coordinates","296370","2024-12-06","16:30:14",""
"1572766","9.2417","0.0005","10.0889","0.0006","11.8541","0.0008","90","","110.192","0.003","90","","1037.33","0.11","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H36 B Cl N -","- C22 H36 B Cl N -","- C44 H72 B2 Cl2 N2 -","2","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0533","0.0482","","","0.1274","0.1303","","","","","","1.053","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572767","8.7528","0.0003","10.9747","0.0003","15.4186","0.0006","90","","91.674","0.002","90","","1480.47","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 B -","- C18 H23 B -","- C72 H92 B4 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0663","0.0611","","","0.1507","0.1565","","","","","","1.066","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572768","14.0779","0.0006","12.7663","0.0006","20.0966","0.001","90","","91.539","0.002","90","","3610.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 B Br Cl2 N -","- C36 H55 B Br Cl2 N -","- C144 H220 B4 Br4 Cl8 N4 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0669","0.0617","","","0.2129","0.2197","","","","","","1.072","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572769","10.81","0.011","12.282","0.008","23.47","0.03","90","","93.75","0.05","90","","3109","5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 B Br N -","- C35 H53 B Br N -","- C140 H212 B4 Br4 N4 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0345","0.0289","","","0.08","0.0822","","","","","","1.1","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572770","11.7206","0.0008","12.0045","0.0008","15.0853","0.001","108.946","0.003","93.723","0.002","95.092","0.003","1989.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 B Cl7 N2 -","- C36 H48 B Cl7 N2 -","- C72 H96 B2 Cl14 N4 -","2","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0462","0.04","","","0.0982","0.1031","","","","","","1.032","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572771","12.0999","0.001","13.3302","0.001","25.993","0.002","90","","90","","90","","4192.5","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 B Cl N -","- C23 H35 B Cl N -","- C184 H280 B8 Cl8 N8 -","8","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0355","0.0327","","","0.0897","0.0924","","","","","","1.058","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572772","12.1571","0.0005","13.5618","0.0007","25.839","0.0013","90","","90","","90","","4260.1","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 B Br N -","- C23 H35 B Br N -","- C184 H280 B8 Br8 N8 -","8","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0435","0.0421","","","0.1","0.1006","","","","","","1.093","","","","has coordinates,has disorder","296370","2024-12-06","16:30:15",""
"1572773","23.3813","0.0011","8.8522","0.0004","18.8122","0.0009","90","","111.915","0.005","90","","3612.3","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 N8 O16 Zn3 -","- C78 H72 N8 O16 Zn3 -","- C156 H144 N16 O32 Zn6 -","2","0.5","","Logelin, Madison E.; Schreiber, Eric; Mercado, Brandon Q.; Burke, Michael J.; Davis, Caitlin M.; Bartholomew, Amymarie K.","Exfoliation of a metal-organic framework enabled by post-synthetic cleavage of a dipyridyl dianthracene ligand.","Chemical science","2024","15","37","15198","15204","10.1039/d4sc03524k","","x-ray","1.54184","CuKα","","0.1297","0.0788","","","0.1936","0.223","","","","","","1.03","","","","has coordinates","295041","2024-10-04","09:43:26",""
"1572774","16.9","0.5","9.5","0.2","18.2","0.3","90","","94.7","0.3","90","","2912","12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H44 N4 O12 Zn3 -","- C66 H44 N4 O12 Zn3 -","- C132 H88 N8 O24 Zn6 -","2","0.5","","Logelin, Madison E.; Schreiber, Eric; Mercado, Brandon Q.; Burke, Michael J.; Davis, Caitlin M.; Bartholomew, Amymarie K.","Exfoliation of a metal-organic framework enabled by post-synthetic cleavage of a dipyridyl dianthracene ligand.","Chemical science","2024","15","37","15198","15204","10.1039/d4sc03524k","","electron","0.0251","electron","","0.2839","0.2263","","","0.5061","0.5386","","","","","","1.011","","","","has coordinates","295041","2024-10-04","09:43:28",""
"1572775","11.0839","0.0013","13.719","0.002","15.383","0.003","106.314","0.005","104.337","0.004","105.219","0.003","2031.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H37 B Cl3 F2 N9 O2 -","- C45 H37 B Cl3 F2 N9 O2 -","- C90 H74 B2 Cl6 F4 N18 O4 -","2","1","","Pim, Sebastian; Bourgès, Anaïs C; Wu, Dan; Durán-Sampedro, Gonzalo; Garre, Massimiliano; O'Shea, Donal F","Observing bioorthogonal macrocyclizations in the nuclear envelope of live cells using on/on fluorescence lifetime microscopy.","Chemical science","2024","15","36","14913","14923","10.1039/d4sc03489a","","x-ray","0.71073","MoKα","","0.056","0.0433","","","0.1079","0.115","","","","","","1.029","","","","has coordinates,has disorder","295042","2024-10-04","09:47:17",""
"1572776","9.9175","0.0014","17.323","0.003","10.7669","0.0015","90","","115.609","0.002","90","","1668.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br2 N O2 -","- C16 H13 Br2 N O2 -","- C64 H52 Br8 N4 O8 -","4","1","","Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications.","Chemical science","2024","15","36","14668","14676","10.1039/d4sc01513d","","","0.71073","MoKα","","0.0852","0.0442","","","0.1051","0.1234","","","","","","1.017","","","","has coordinates","295043","2024-10-04","09:48:21",""
"1572777","9.915","0.003","17.251","0.006","10.682","0.003","90","","115.375","0.005","90","","1650.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br Cl N O2 -","- C16 H13 Br Cl N O2 -","- C64 H52 Br4 Cl4 N4 O8 -","4","1","","Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications.","Chemical science","2024","15","36","14668","14676","10.1039/d4sc01513d","","","0.71073","MoKα","","0.0992","0.0476","","","0.1286","0.1519","","","","","","1.017","","","","has coordinates","295043","2024-10-04","09:48:24",""
"1572778","5.611","0.0006","7.1772","0.0008","25.602","0.003","90","","90","","90","","1031","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C40 H40 Br4 N4 O8 -","4","1","","Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications.","Chemical science","2024","15","36","14668","14676","10.1039/d4sc01513d","","","0.71073","MoKα","","0.0547","0.036","","","0.0807","0.0873","","","","","","1.013","","","","has coordinates","295043","2024-10-04","09:48:33",""
"1572779","10.8087","0.0008","11.2182","0.0008","11.3752","0.0008","61.101","0.002","89.292","0.003","66.734","0.002","1081.66","0.14","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 Cl2 N2 O P -","- C20 H29 Cl2 N2 O P -","- C40 H58 Cl4 N4 O2 P2 -","2","1","","Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami","Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.","Chemical science","2024","15","35","14406","14414","10.1039/d4sc03518f","","","0.71073","MoKα","","0.0673","0.0594","","","0.1698","0.1743","","","","","","1.115","","","","has coordinates","295044","2024-10-04","09:49:54",""
"1572780","18.3122","0.0008","5.9341","0.0002","22.4465","0.0011","90","","97.4662","0.0018","90","","2418.5","0.18","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 O P -","- C14 H15 O P -","- C112 H120 O8 P8 -","8","1","","Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami","Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.","Chemical science","2024","15","35","14406","14414","10.1039/d4sc03518f","","","0.71073","MoKα","","0.0463","0.0445","","","0.1009","0.1019","","","","","","1.133","","","","has coordinates,has disorder","295044","2024-10-04","09:49:56",""
"1572781","6.8013","0.0013","13.832","0.003","20.961","0.004","102.003","0.005","99.318","0.006","98.164","0.007","1871.6","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H45 O7 P -","- C45 H45 O7 P -","- C90 H90 O14 P2 -","2","1","","Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami","Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.","Chemical science","2024","15","35","14406","14414","10.1039/d4sc03518f","","","0.71073","MoKα","","0.19","0.097","","","0.2388","0.3356","","","","","","1.021","","","","has coordinates,has disorder","295044","2024-10-04","09:49:56",""
"1572782","29.1614","0.0016","29.1614","0.0016","29.1614","0.0016","90","","90","","90","","24798","2","173","","173","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C78 H111 N O12 P6 Pt3 -","- C78 H111 N O12 P6 Pt3 -","- C624 H888 N8 O96 P48 Pt24 -","8","0.333333","","Liu, Haifei; Guo, Chenxing; Huang, Yujuan; Zhou, Zilin; Jian, Shijin; Zhang, Zeyuan; Hou, Yali; Mu, Chaoqun; Zhang, Mingming","Fusion of two homoleptic truncated tetrahedra into a heteroleptic truncated octahedron.","Chemical science","2024","15","35","14352","14357","10.1039/d4sc02736a","","x-ray","1.34139","GaKα","","0.0476","0.0417","","","0.1154","0.1192","","","","","","1.064","","","","has coordinates,has disorder","295045","2024-10-04","09:51:51",""
"1572783","59.444","0.006","59.444","0.006","167.23","0.03","90","","90","","120","","511754","12","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C744 N28 O48 P48 Pt24 -","- C744 N28 O48 P48 Pt24 -","- C8928 N336 O576 P576 Pt288 -","12","0.666667","","Liu, Haifei; Guo, Chenxing; Huang, Yujuan; Zhou, Zilin; Jian, Shijin; Zhang, Zeyuan; Hou, Yali; Mu, Chaoqun; Zhang, Mingming","Fusion of two homoleptic truncated tetrahedra into a heteroleptic truncated octahedron.","Chemical science","2024","15","35","14352","14357","10.1039/d4sc02736a","","x-ray","1.54178","CuKα","","0.3397","0.157","","","0.3446","0.3856","","","","","","1.608","","","","has coordinates","295045","2024-10-04","09:51:52",""
"1572784","9.8076","0.0002","16.1235","0.0003","22.4399","0.0004","90","","90","","90","","3548.49","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 N6 O10 S -","- C30 H54 N6 O10 S -","- C120 H216 N24 O40 S4 -","4","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","x-ray","1.54184","CuKα","","0.0551","0.0522","","","0.1399","0.1419","","","","","","1.035","","","","has coordinates","295046","2024-10-04","09:52:47",""
"1572785","9.6433","0.0001","16.0251","0.0002","22.6439","0.0003","90","","90","","90","","3499.27","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H52 N6 O10 S -","- C29 H52 N6 O10 S -","- C116 H208 N24 O40 S4 -","4","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","x-ray","1.54184","CuKα","","0.0412","0.0394","","","0.1031","0.1043","","","","","","1.033","","","","has coordinates","295046","2024-10-04","09:52:48",""
"1572786","10.4739","0.0001","10.4739","0.0001","61.7275","0.0008","90","","90","","90","","6771.67","0.13","100.15","","100.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H46 N6 O6 S -","- C30 H46 N6 O6 S -","- C240 H368 N48 O48 S8 -","8","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","","1.54184","CuKα","","0.0529","0.0457","","","0.1073","0.1105","","","","","","1.042","","","","has coordinates,has disorder","295046","2024-10-04","09:52:48",""
"1572787","10.30099","0.00006","10.30099","0.00006","63.8033","0.0006","90","","90","","90","","6770.19","0.08","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H47 N5 O8 S -","- C30 H48 N6 O7 S -","- C240 H384 N48 O56 S8 -","8","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","","1.54184","CuKα","","0.0379","0.0367","","","0.0972","0.098","","","","","","1.067","","","","has coordinates","295046","2024-10-04","09:52:48",""
"1572788","8.5539","0.0005","15.9444","0.001","11.4097","0.0006","90","","90","","90","","1556.13","0.16","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C21 H17 Ti -","- C21 H17 Ti -","- C84 H68 Ti4 -","4","0.5","","Wisbeck, Sarita; Sorrentino, Andrea Luigi; Santana, Francielli S.; de Camargo, Luana C.; Ribeiro, Ronny R.; Salvadori, Enrico; Chiesa, Mario; Giaconi, Niccolò; Caneschi, Andrea; Mannini, Matteo; Poggini, Lorenzo; Briganti, Matteo; Serrano, Giulia; Soares, Jaísa F; Sessoli, Roberta","(η<sup>8</sup>-Cyclooctatetraene)(η<sup>5</sup>-fluorenyl)titanium: a processable molecular spin qubit with optimized control of the molecule-substrate interface.","Chemical science","2024","15","35","14390","14398","10.1039/d4sc03290j","","","0.71073","MoKα","","0.0511","0.039","","","0.0933","0.1008","","","","","","1.073","","","","has coordinates","295047","2024-10-04","09:53:44",""
"1572789","8.3693","0.0005","15.9237","0.0008","11.3545","0.0006","90","","90","","90","","1513.22","0.14","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C21 H17 Ti -","- C21 H17 Ti -","- C84 H68 Ti4 -","4","0.5","","Wisbeck, Sarita; Sorrentino, Andrea Luigi; Santana, Francielli S.; de Camargo, Luana C.; Ribeiro, Ronny R.; Salvadori, Enrico; Chiesa, Mario; Giaconi, Niccolò; Caneschi, Andrea; Mannini, Matteo; Poggini, Lorenzo; Briganti, Matteo; Serrano, Giulia; Soares, Jaísa F; Sessoli, Roberta","(η<sup>8</sup>-Cyclooctatetraene)(η<sup>5</sup>-fluorenyl)titanium: a processable molecular spin qubit with optimized control of the molecule-substrate interface.","Chemical science","2024","15","35","14390","14398","10.1039/d4sc03290j","","","0.71073","MoKα","","0.032","0.0294","","","0.0701","0.0713","","","","","","1.048","","","","has coordinates","295047","2024-10-04","09:53:46",""
"1572795","19.7252","0.001","19.7252","0.001","23.5747","0.0011","90","","90","","120","","7943.6","0.7","218","13","218","13","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C105 H63 Co6 N15 O25 -","- C105 H63 Co6 N15 O25 -","- C210 H126 Co12 N30 O50 -","2","0.166667","","Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo","Metal-organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade.","Chemical science","2024","15","42","17547","17555","10.1039/d4sc04387a","","x-ray","0.71073","MoKα","","0.0955","0.0787","","","0.2238","0.2389","","","","","","1.066","","","","has coordinates","296394","2024-12-06","16:42:51",""
"1572796","19.8699","0.0004","19.8699","0.0004","23.3404","0.0007","90","","90","","120","","7980.5","0.3","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C102 H60 Co6 N18 O25 -","- C102 H60 Co6 N18 O25 -","- C204 H120 Co12 N36 O50 -","2","0.166667","","Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo","Metal-organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade.","Chemical science","2024","15","42","17547","17555","10.1039/d4sc04387a","","","0.71073","MoKα","","0.1213","0.0673","","","0.1837","0.2125","","","","","","1.006","","","","has coordinates","296394","2024-12-06","16:42:53",""
"1572797","13.8977","0.0006","16.6183","0.0007","20.3259","0.0008","113.405","0.001","95.369","0.002","91.274","0.002","4280.2","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","DB-SF1","","- C86 H59 B2 N3 -","- C86 H59 B2 N3 -","- C172 H118 B4 N6 -","2","1","","Xu, Ke; Li, Nengquan; Ye, Zeyuan; Guo, Yuxi; Wu, Yuxin; Gui, Chenghao; Yin, Xiaojun; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo","High-performance deep-blue electroluminescence from multi-resonance TADF emitters with a spirofluorene-fused double boron framework.","Chemical science","2024","15","43","18076","18084","10.1039/d4sc04835k","","","1.34139","GaKα","","0.1026","0.0861","","","0.277","0.2896","","","","","","1.04","","","","has coordinates","296378","2024-12-06","16:33:31",""
"1572798","14.1931","0.0011","16.6449","0.0012","17.7614","0.0014","71.081","0.003","69.022","0.004","78.65","0.004","3690.7","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","DB-SF2","","- C86 H59 B2 N3 -","- C86 H59 B2 N3 -","- C172 H118 B4 N6 -","2","1","","Xu, Ke; Li, Nengquan; Ye, Zeyuan; Guo, Yuxi; Wu, Yuxin; Gui, Chenghao; Yin, Xiaojun; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo","High-performance deep-blue electroluminescence from multi-resonance TADF emitters with a spirofluorene-fused double boron framework.","Chemical science","2024","15","43","18076","18084","10.1039/d4sc04835k","","","1.34139","GaKα","","0.1824","0.1112","","","0.3059","0.3547","","","","","","1.067","","","","has coordinates","296378","2024-12-06","16:33:31",""
"1572799","21.64","0.004","16.954","0.003","6.7999","0.0012","90","","90","","90","","2494.8","0.8","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6.04 H31 B30.96 -","- C6.04 H31 B30.96 -","- C24.16 H124 B123.84 -","4","0.5","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0601","0.0504","","","0.14","0.1494","","","","","","1.104","","","","has coordinates,has disorder","296376","2024-12-06","16:32:04",""
"1572800","13.9904","0.0002","17.1121","0.0002","19.3321","0.0002","90","","109.802","0.001","90","","4354.53","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 B31 O P -","- C26 H46 B31 O P -","- C104 H184 B124 O4 P4 -","4","1","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0401","0.0381","","","0.1018","0.1032","","","","","","1.036","","","","has coordinates","296376","2024-12-06","16:32:06",""
"1572801","10.9967","0.0001","15.5241","0.0002","15.9285","0.0003","69.719","0.001","81.164","0.001","78.446","0.001","2488.44","0.06","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H72 B31 O P -","- C33 H72 B31 O P -","- C66 H144 B62 O2 P2 -","2","1","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","","1.54184","CuKα","","0.0722","0.0703","","","0.1808","0.1814","","","","","","1.0242","","","","has coordinates","296376","2024-12-06","16:32:06",""
"1572802","12.196","0.003","12.565","0.003","15.872","0.004","91.154","0.008","106.328","0.009","117.784","0.007","2032.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 B31 O P -","- C26 H46 B31 O P -","- C52 H92 B62 O2 P2 -","2","1","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0562","0.0498","","","0.1258","0.13","","","","","","1.075","","","","has coordinates","296376","2024-12-06","16:32:06",""
"1572819","8.5264","0.0003","12.9009","0.0003","13.416","0.0004","90","","90","","90","","1475.74","0.08","300","0.1","300","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C5 H13 Br5 Ga N -","- C5 H13 Br5 Ga N -","- C20 H52 Br20 Ga4 N4 -","4","0.5","","Tang, Zheng-Xiao; Wang, Bin; Li, Zhi-Rui; Huang, Zhuo; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","Enhancing the performance of molecule-based piezoelectric sensors by optimizing their microstructures.","Chemical science","2024","15","43","18060","18066","10.1039/d4sc05442c","","x-ray","1.54184","CuKα","","0.0491","0.0455","","","0.1144","0.1167","","","","","","1.092","","","","has coordinates,has disorder","296375","2024-12-06","16:31:25",""
"1572820","7.6159","0.0015","8.6763","0.0013","7.9574","0.0011","90","","90","","90","","525.81","0.15","296.32","0.1","296.32","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- N O6 Sb Te -","- N O6 Sb Te -","- N4 O24 Sb4 Te4 -","4","1","","Zhang, Bo; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","Fully tricoordinated assembly unveils a pioneering nonlinear optical crystal (SbTeO<sub>3</sub>)(NO<sub>3</sub>).","Chemical science","2024","15","44","18549","18556","10.1039/d4sc05640j","","x-ray","0.71073","MoKα","","0.0395","0.0336","","","0.0765","0.0797","","","","","","1.028","","","","has coordinates","296361","2024-12-06","16:23:06",""
"1572821","10.0967","0.0004","23.8308","0.001","24.3101","0.0011","90","","90","","90","","5849.3","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H27 B12 Br2 F3 N2 S -","- C18 H27 B12 Br2 F3 N2 S -","- C144 H216 B96 Br16 F24 N16 S8 -","8","1","","Zhong, Minling; Zhang, Jie; Xie, Zuowei","N[double bond, length as m-dash]N bond cleavage in diazirines by a cyclic diborane(4) compound.","Chemical science","2024","15","43","18048","18051","10.1039/d4sc04980b","","","0.71073","MoKα","","0.0854","0.0553","","","0.119","0.1332","","","","","","1.058","","","","has coordinates","296371","2024-12-06","16:30:44",""
"1572822","16.7138","0.0019","35.995","0.004","13.3816","0.0016","90","","118.474","0.003","90","","7076.7","1.4","245","2","245","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H32 B12 Br3 Cl3 F3 N2 P S -","- C16 H31 B12 Br3 Cl2 F3 N2 P S -","- C128 H248 B96 Br24 Cl16 F24 N16 P8 S8 -","8","1","","Zhong, Minling; Zhang, Jie; Xie, Zuowei","N[double bond, length as m-dash]N bond cleavage in diazirines by a cyclic diborane(4) compound.","Chemical science","2024","15","43","18048","18051","10.1039/d4sc04980b","","","0.71073","MoKα","","0.1698","0.084","","","0.2148","0.2568","","","","","","1.044","","","","has coordinates","296371","2024-12-06","16:30:44",""
"1572823","10.3152","0.0019","12.2542","0.0016","20.6868","0.0014","79.983","0.007","82.962","0.01","71.165","0.015","2431","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H50 N4 O -","- C58 H50 N4 O -","- C116 H100 N8 O2 -","2","1","","Zhou, Huayi; Wang, Runze; Sun, Mizhen; Zhou, Yannan; Zhang, Li; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Highly efficient pure organic near-ultraviolet (NUV) electro-fluorescent materials with high electron mobility and improved hole mobility.","Chemical science","2024","15","44","18601","18607","10.1039/d4sc05625f","","","0.71073","MoKα","","0.2219","0.117","","","0.2692","0.3146","","","","","","1.062","","","","has coordinates","296351","2024-12-06","16:19:35",""
"1572824","10.419","0.004","10.639","0.004","23.685","0.009","93.232","0.008","102.281","0.008","112.408","0.007","2344","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H47 Cl3 N4 -","- C58 H47 Cl3 N4 -","- C116 H94 Cl6 N8 -","2","1","","Zhou, Huayi; Wang, Runze; Sun, Mizhen; Zhou, Yannan; Zhang, Li; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Highly efficient pure organic near-ultraviolet (NUV) electro-fluorescent materials with high electron mobility and improved hole mobility.","Chemical science","2024","15","44","18601","18607","10.1039/d4sc05625f","","","0.71073","MoKα","","0.2081","0.1255","","","0.3279","0.3596","","","","","","1.058","","","","has coordinates","296351","2024-12-06","16:19:35",""
"1572825","32.1662","0.0007","24.9817","0.0004","13.4105","0.0005","90","","90","","90","","10776.2","0.5","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","TC-MOF","","- C65 H49 Er3 N2 O21 -","- C65 H49 Er3 N1.5 O21 -","- C260 H196 Er12 N6 O84 -","4","0.5","","Xia, Qingchun; Han, Kaixin; Ma, Xuxiao; Qiu, Pengtao; Li, Zhiyong; Chen, Xuenian","A tetraphenylborate-based anionic metal-organic framework as a versatile solid electrolyte for fast Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Mg<sup>2+</sup>, Ca<sup>2+</sup>, and Zn<sup>2+</sup> transportation.","Chemical science","2024","15","42","17579","17589","10.1039/d4sc02861a","","x-ray","1.54184","CuKα","","0.066","0.0502","","","0.1287","0.1449","","","","","","1.032","","","","has coordinates,has disorder","296387","2024-12-06","16:38:00",""
"1572826","32.6786","0.0005","24.8964","0.0004","13.9814","0.0003","90","","90","","90","","11375","0.4","170","0.1","170","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31.5 H23.5 B Er1.5 N O10.5 -","- C31.5 H23.5 B Er1.5 N O10.5 -","- C252 H188 B8 Er12 N8 O84 -","8","1","","Xia, Qingchun; Han, Kaixin; Ma, Xuxiao; Qiu, Pengtao; Li, Zhiyong; Chen, Xuenian","A tetraphenylborate-based anionic metal-organic framework as a versatile solid electrolyte for fast Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Mg<sup>2+</sup>, Ca<sup>2+</sup>, and Zn<sup>2+</sup> transportation.","Chemical science","2024","15","42","17579","17589","10.1039/d4sc02861a","","x-ray","1.54184","CuKα","","0.0687","0.0537","","","0.1479","0.1537","","","","","","1.141","","","","has coordinates,has disorder","296387","2024-12-06","16:38:00",""
"1572827","14.3934","0.0003","15.1871","0.0003","24.943","0.0005","89.932","0.002","99.74","0.002","115.133","0.002","4849.75","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","Hf6-phenylphosphinate","","- C73.45 H78.9 Cl2.9 Hf6 O32 P12 -","- C72.2 H76.4 Cl0.4 Hf6 O32 P12 -","- C144.4 H152.8 Cl0.8 Hf12 O64 P24 -","2","1","","Unniram Parambil, Ajmal Roshan; Pokratath, Rohan; Parammal, Muhammed Jibin; Dhaene, Evert; Van den Eynden, Dietger; Balog, Sandor; Prescimone, Alessandro; Infante, Ivan; Shahgaldian, Patrick; De Roo, Jonathan","Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands.","Chemical science","2024","15","42","17380","17396","10.1039/d4sc03859b","","x-ray","1.34143","GaKα","","0.0984","0.0899","","","0.2276","0.2348","","","","","","1.046","","","","has coordinates","296392","2024-12-06","16:40:42",""
"1572828","14.4003","0.0003","15.2252","0.0004","24.9863","0.0006","89.897","0.002","80.487","0.002","64.685","0.002","4869.4","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","Zr6-phenylphosphinate","","- C73 H78 Cl2 O32 P12 Zr6 -","- C72.7 H77.4 Cl1.4 O32 P12 Zr6 -","- C145.4 H154.8 Cl2.8 O64 P24 Zr12 -","2","1","","Unniram Parambil, Ajmal Roshan; Pokratath, Rohan; Parammal, Muhammed Jibin; Dhaene, Evert; Van den Eynden, Dietger; Balog, Sandor; Prescimone, Alessandro; Infante, Ivan; Shahgaldian, Patrick; De Roo, Jonathan","Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands.","Chemical science","2024","15","42","17380","17396","10.1039/d4sc03859b","","x-ray","1.34143","GaKα","","0.0972","0.0871","","","0.2444","0.257","","","","","","1.048","","","","has coordinates,has disorder","296392","2024-12-06","16:40:47",""
"1572829","32.4731","0.0004","32.4731","0.0004","96.4532","0.0011","90","","90","","120","","88083.5","1.8","150","0.1","150","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C432 H192 Ag98 Cl4 F144 -","- C432 H192 Ag98 Cl4 F144 -","- C2592 H1152 Ag588 Cl24 F864 -","6","0.333333","","Cui, Xiaoqin; Zhang, Xuehuan; Li, Ting; Zhu, Sheng; Han, Gaoyi; Li, Huan","Substituent effect in determining the total structure of an all-alkynyl-protected Ag<sub>98</sub> nanocluster for methanol tolerant oxygen reduction reaction.","Chemical science","2024","15","43","18161","18169","10.1039/d4sc04318a","","x-ray","1.54184","CuKα","","0.117","0.0778","","","0.2263","0.2582","","","","","","0.946","","","","has coordinates,has disorder","296382","2024-12-06","16:35:45",""
"1572830","8.3637","0.0003","14.3587","0.0006","21.379","0.0008","90","","90","","90","","2567.44","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 B N -","- C30 H34 B N -","- C120 H136 B4 N4 -","4","1","","Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli","Regioisomers containing triarylboron-based motifs as multi-functional photoluminescent materials: from dual-mode delayed emission to pH-switchable room-temperature phosphorescence.","Chemical science","2024","15","44","18364","18378","10.1039/d4sc05656f","","","0.71073","MoKα","","0.1003","0.0584","","","0.1648","0.1918","","","","","","1.013","","","","has coordinates","296355","2024-12-06","16:21:39",""
"1572831","7.9503","0.0004","8.3312","0.0004","19.4228","0.0009","78.527","0.004","89.087","0.004","87.192","0.004","1259.23","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 B N -","- C30 H34 B N -","- C60 H68 B2 N2 -","2","1","","Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli","Regioisomers containing triarylboron-based motifs as multi-functional photoluminescent materials: from dual-mode delayed emission to pH-switchable room-temperature phosphorescence.","Chemical science","2024","15","44","18364","18378","10.1039/d4sc05656f","","","0.71073","MoKα","","0.0716","0.0585","","","0.1667","0.1787","","","","","","1.048","","","","has coordinates","296355","2024-12-06","16:21:39",""
"1572832","17.9022","0.0007","8.3999","0.0003","47.941","0.0016","90","","94.795","0.003","90","","7184","0.5","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C34 H41 B Cl4 F3 N O3 S -","- C34 H41 B Cl4 F3 N O3 S -","- C272 H328 B8 Cl32 F24 N8 O24 S8 -","8","1","","Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli","Regioisomers containing triarylboron-based motifs as multi-functional photoluminescent materials: from dual-mode delayed emission to pH-switchable room-temperature phosphorescence.","Chemical science","2024","15","44","18364","18378","10.1039/d4sc05656f","","","0.71073","MoKα","","0.0976","0.0764","","","0.2016","0.2146","","","","","","1.026","","","","has coordinates,has disorder","296355","2024-12-06","16:21:39",""
"1572833","8.241","0.0003","15.6585","0.0007","9.0543","0.0004","90","","92.064","0.001","90","","1167.62","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(tert-butyl)-4λ4-azaspiro[2.5]octane hydrochloride","","- C11 H22 Cl N -","- C11 H22 Cl N -","- C44 H88 Cl4 N4 -","4","1","","Izzotti, Anthony R.; Gleason, James L.","Driving <i>tert</i>-butyl axial: the surprising cyclopropyl effect.","Chemical science","2024","15","44","18592","18600","10.1039/d4sc05470a","","","1.54178","CuKα","","0.0478","0.0461","","","0.1321","0.1348","","","","","","1.094","","","","has coordinates","296349","2024-12-06","16:18:41",""
"1572834","16.197","0.0005","5.705","0.0002","20.808","0.0006","90","","110.374","0.001","90","","1802.45","0.1","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,9-dibenzyl-4,9-diazadispiro[2.2.26.23]decane","","- C22 H26 N2 -","- C22 H26 N2 -","- C88 H104 N8 -","4","0.5","","Izzotti, Anthony R.; Gleason, James L.","Driving <i>tert</i>-butyl axial: the surprising cyclopropyl effect.","Chemical science","2024","15","44","18592","18600","10.1039/d4sc05470a","","","1.54178","CuKα","","0.0523","0.0438","","","0.107","0.1165","","","","","","1.037","","","","has coordinates","296349","2024-12-06","16:18:41",""
"1572835","14.12","0.003","9.381","0.002","14.431","0.003","90","","118.58","0.014","90","","1678.6","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4,7-dibenzyl-4,7-diazaspiro[2.5]octane-4,7-diium di-4-methylbenzenesulfonate hydrate","","- C34 H42 N2 O7 S2 -","- C34 H42 N2 O7 S2 -","- C68 H84 N4 O14 S4 -","2","1","","Izzotti, Anthony R.; Gleason, James L.","Driving <i>tert</i>-butyl axial: the surprising cyclopropyl effect.","Chemical science","2024","15","44","18592","18600","10.1039/d4sc05470a","","","1.54178","CuKα","","0.0758","0.0502","","","0.1277","0.1453","","","","","","1.038","","","","has coordinates,has disorder","296349","2024-12-06","16:18:41",""
"1572836","9.0954","0.0014","28.981","0.004","20.898","0.003","90","","90","","90","","5508.6","1.4","296","2","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C46 H58 N2 O10 S2 -","- C46 H58 N2 O10 S2 -","- C184 H232 N8 O40 S8 -","4","0.5","","Liu, Huifeng; He, Yongrui; Chen, Jia; Qu, Xiaoqing; He, Jing; Chen, Xuwei; Wang, Jianhua; Qiu, Hongdeng","Chiral ionic organic single-crystal and its exfoliated two-dimensional nanosheets with enhanced enantioseparation.","Chemical science","2024","15","45","18818","18824","10.1039/d4sc04990j","","","0.71073","MoKα","","0.0929","0.0517","","","0.1295","0.1414","","","","","","0.999","","","","has coordinates","296435","2024-12-06","17:00:24",""
"1572837","14.9819","0.0006","14.988","0.0004","19.2809","0.0006","75.285","0.003","68.908","0.003","83.041","0.003","3904.8","0.2","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H41 O3 P2 Re -","- C47.5 H41 O3 P2 Re -","- C190 H164 O12 P8 Re4 -","4","2","","Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Exploring efficient and air-stable d<sup>2</sup> Re(v) alkylidyne catalysts: toward room temperature alkyne metathesis.","Chemical science","2024","15","44","18318","18326","10.1039/d4sc05369a","","","1.54184","CuKα","","0.0451","0.0355","","","0.0854","0.093","","","","","","1.049","","","","has coordinates,has disorder","296354","2024-12-06","16:21:24",""
"1572838","17.138","0.0003","18.3645","0.0004","21.067","0.0005","107.093","0.002","92.87","0.002","113.868","0.002","5686.2","0.3","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C105.5 H55.5 Cl6.5 F48 O4 P4 Re2 Zn -","- C105.5 H55.5 Cl6.5 F48 O4 P4 Re2 Zn -","- C211 H111 Cl13 F96 O8 P8 Re4 Zn2 -","2","1","","Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Exploring efficient and air-stable d<sup>2</sup> Re(v) alkylidyne catalysts: toward room temperature alkyne metathesis.","Chemical science","2024","15","44","18318","18326","10.1039/d4sc05369a","","x-ray","1.54184","CuKα","","0.0632","0.0537","","","0.145","0.1564","","","","","","1.035","","","","has coordinates,has disorder","296354","2024-12-06","16:21:24",""
"1572839","11.0053","0.0005","11.439","0.0004","17.8263","0.0006","85.487","0.003","78.475","0.003","62.411","0.004","1948.62","0.15","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H41 O2 P2 Re S -","- C46 H41 O2 P2 Re S -","- C92 H82 O4 P4 Re2 S2 -","2","1","","Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Exploring efficient and air-stable d<sup>2</sup> Re(v) alkylidyne catalysts: toward room temperature alkyne metathesis.","Chemical science","2024","15","44","18318","18326","10.1039/d4sc05369a","","x-ray","1.54184","CuKα","","0.0166","0.0159","","","0.0393","0.0397","","","","","","1.05","","","","has coordinates","296354","2024-12-06","16:21:24",""
"1572840","8.281","0.004","10.126","0.005","19.388","0.008","86.625","0.009","85.739","0.01","72.015","0.011","1540.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H48 N4 Si -","- C31 H48 N4 Si -","- C62 H96 N8 Si2 -","2","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0842","0.0713","","","0.1624","0.1726","","","","","","1.121","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572841","19.9625","0.0012","6.8258","0.0004","19.8501","0.0012","90","","105.828","0.002","90","","2602.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 N4 -","- C28 H38 N4 -","- C112 H152 N16 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.164","0.0746","","","0.1487","0.1903","","","","","","1.021","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572842","12.151","0.0004","11.9324","0.0005","18.7244","0.0008","90","","90","","90","","2714.86","0.19","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N5 -","- C13 H21 N5 -","- C104 H168 N40 -","8","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0627","0.0474","","","0.1138","0.1207","","","","","","1.056","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572843","10.5986","0.0012","14.3442","0.0017","21.841","0.003","90","","100.144","0.003","90","","3268.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 N4 O2 -","- C34 H50 N4 O2 -","- C136 H200 N16 O8 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0991","0.0715","","","0.1383","0.1499","","","","","","1.106","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572844","12.2095","0.0015","16.906","0.002","17.394","0.002","102.647","0.004","102.612","0.004","109.02","0.004","3144.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H50 N4 Si -","- C32 H50 N4 Si -","- C128 H200 N16 Si4 -","4","2","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0872","0.0752","","","0.2307","0.2392","","","","","","1.06","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572845","13.505","0.003","12.601","0.002","17.615","0.003","90","","110.277","0.006","90","","2811.9","0.9","224","2","224","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 N6 O4 -","- C23 H40 N6 O4 -","- C92 H160 N24 O16 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0895","0.0683","","","0.1766","0.1929","","","","","","1.031","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572846","9.8892","0.0006","15.8752","0.0011","21.8134","0.0013","90","","95.043","0.002","90","","3411.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 N4 O2 Si -","- C34 H50 N4 O2 Si -","- C136 H200 N16 O8 Si4 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1194","0.0633","","","0.1185","0.1397","","","","","","1.025","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572847","9.461","0.003","11.622","0.004","12.759","0.004","82.729","0.009","82.161","0.009","89.987","0.009","1378.4","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39.5 Cl N4 O0.25 -","- C28 H39 Cl N4 O0.25 -","- C56 H78 Cl2 N8 O0.5 -","2","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1284","0.0563","","","0.1145","0.132","","","","","","0.843","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572848","11.1953","0.0007","13.1685","0.0009","21.739","0.0015","90","","99.457","0.002","90","","3161.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 N4 O2 -","- C33 H48 N4 O2 -","- C132 H192 N16 O8 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","","","0.0881","0.0577","","","0.1122","0.124","","","","","","1.073","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572849","11.4307","0.0012","11.4548","0.0013","28.925","0.003","90","","90","","90","","3787.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H30 N4 O2 -","- C17 H30 N4 O2 -","- C136 H240 N32 O16 -","8","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.104","0.0608","","","0.1184","0.1396","","","","","","1.103","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572850","11.0142","0.0005","10.0702","0.0004","12.5419","0.0006","90","","110.769","0.002","90","","1300.69","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N4 -","- C12 H22 N4 -","- C48 H88 N16 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0412","0.0378","","","0.1066","0.1104","","","","","","1.093","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572851","12.6958","0.001","17.2563","0.0011","18.327","0.0013","90","","107.659","0.002","90","","3825.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N4 O2 -","- C40 H54 N4 O2 -","- C160 H216 N16 O8 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1226","0.0705","","","0.1334","0.1556","","","","","","1.038","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572852","10.2595","0.0008","19.2221","0.0014","16.2971","0.0013","90","","107.065","0.003","90","","3072.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 N4 Si -","- C31 H46 N4 Si -","- C124 H184 N16 Si4 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0839","0.0517","","","0.1161","0.1385","","","","","","1.039","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572853","10.1752","0.0012","18.596","0.003","19.949","0.003","105.886","0.004","94.06","0.005","91.388","0.004","3617.7","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H30 N4 Si -","- C15 H30 N4 Si -","- C120 H240 N32 Si8 -","8","4","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1098","0.1004","","","0.2341","0.2381","","","","","","1.223","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572857","18.9221","0.0002","18.1077","0.0002","21.0075","0.0003","90","","105.814","0.001","90","","6925.49","0.15","296.93","0.1","296.93","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H41 Br3 N2 Ni O2 -","- C31 H41 Br3 N2 Ni O2 -","- C248 H328 Br24 N16 Ni8 O16 -","8","1","","Zhang, Mengyao; Dai, Shengyu","Nickel-catalyzed direct synthesis of hyperbranched liquid oligoethylene","Polymer Chemistry","2024","15","45","4627","4636","10.1039/D4PY00709C","","x-ray","1.54184","CuKα","","0.0508","0.0486","","","0.1505","0.153","","","","","","1.043","","","","has coordinates","296718","2024-12-06","20:54:34",""
"1572858","6.3366","0.0003","16.1613","0.0007","10.1821","0.0004","90","","93.579","0.004","90","","1040.69","0.08","152.98","0.1","152.98","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 I6 N2 O Pb2 -","- C4 H14 I6 N2 O Pb2 -","- C8 H28 I12 N4 O2 Pb4 -","2","0.5","","Wang, Wei; Liu, Cheng-Dong; Fan, Chang-Chun; Zhang, Wen","A three-dimensional lead iodide perovskite analog featuring hydrogen-bonded dual monovalent cations.","Chemical science","2024","15","44","18455","18462","10.1039/d4sc05585c","","x-ray","0.71073","MoKα","","0.0381","0.0347","","","0.0987","0.1003","","","","","","0.987","","","","has coordinates","296359","2024-12-06","16:22:46",""
"1572859","5.2898","0.0002","7.8669","0.0003","17.559","0.0006","99.161","0.003","96.187","0.003","90.692","0.003","716.87","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C32 H32 Cl2 N6 O2 -","2","1","","Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun","Dynamic organic crystals as exceptionally efficient artificial natural light-harvesting actuators.","Chemical science","2024","15","44","18617","18626","10.1039/d4sc05684a","","x-ray","1.54184","CuKα","","0.0376","0.0359","","","0.1041","0.1059","","","","","","1.079","","","","has coordinates","296353","2024-12-06","16:21:04",""
"1572860","14.9184","0.0005","12.9302","0.0004","7.6631","0.0003","90","","96.635","0.003","90","","1468.3","0.09","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun","Dynamic organic crystals as exceptionally efficient artificial natural light-harvesting actuators.","Chemical science","2024","15","44","18617","18626","10.1039/d4sc05684a","","x-ray","0.71073","MoKα","","0.0883","0.0643","","","0.128","0.1391","","","","","","1.079","","","","has coordinates","296353","2024-12-06","16:21:05",""
"1572861","21.398","0.003","21.398","0.003","53.967","0.014","90","","90","","90","","24710","8","80","2","80","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- C156 H188 -","- C156 H188 -","- C1248 H1504 -","8","0.25","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","0.71073","MoKα","","0.1883","0.1132","","","0.2734","0.2976","","","","","","1.614","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"1572862","16.846","0.002","22.876","0.006","25.515","0.004","69.3","0.02","84.33","0.02","76.83","0.02","8954","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C242 H212 N4 O8 -","- C242 H212 N4 O8 -","- C484 H424 N8 O16 -","2","1","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","1.54184","CuKα","","0.1709","0.1195","","","0.329","0.3687","","","","","","1.246","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"1572863","37.776","0.009","37.776","0.009","37.012","0.0012","90","","90","","120","","45741","15","100","2","100","2","","","","","","","","2","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C470.4 H161.6 -","- C470.4 H161.6 -","- C2822.4 H969.6 -","6","0.5","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","1.54184","CuKα","","0.1921","0.168","","","0.4278","0.4423","","","","","","3.352","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"1572864","8.233","0.005","8.661","0.005","25.432","0.016","90","","96.086","0.008","90","","1803.2","1.9","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N2 O4 Sn2 -","- C44 H32 N2 O4 Sn2 -","- C88 H64 N4 O8 Sn4 -","2","0.5","","Tanimura, Kazuya; Tanaka, Kento; Gon, Masayuki; Tanaka, Kazuo","Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared emission consisting of Schiff bases based on π-conjugated scaffolds.","Chemical science","2024","15","43","17950","17961","10.1039/d4sc05006a","","","0.71075","MoKα","","0.1589","0.1216","","","0.1581","0.1729","","","","","","1.3","","","","has coordinates,has disorder","296374","2024-12-06","16:31:15",""
"1572865","9.383","0.008","12.3335","0.001","16.264","0.014","80.34","0.02","84.76","0.03","82.51","0.03","1835","2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 N2 O4 Sn2 -","- C44 H32 N2 O4 Sn2 -","- C88 H64 N4 O8 Sn4 -","2","1","","Tanimura, Kazuya; Tanaka, Kento; Gon, Masayuki; Tanaka, Kazuo","Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared emission consisting of Schiff bases based on π-conjugated scaffolds.","Chemical science","2024","15","43","17950","17961","10.1039/d4sc05006a","","","0.71075","MoKα","","0.1365","0.0887","","","0.1647","0.1981","","","","","","1.083","","","","has coordinates,has disorder","296374","2024-12-06","16:31:17",""
"1572866","13.3341","0.0007","15.4736","0.0009","16.8028","0.0009","89.148","0.004","68.098","0.004","69.912","0.004","2995.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C118 H180 Fe2 N4 O8 P4 Si4 -","- C118 H180 Fe2 N4 O8 P4 Si4 -","- C118 H180 Fe2 N4 O8 P4 Si4 -","1","0.5","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.0736","0.0585","","","0.1728","0.2052","","","","","","1.015","","","","has coordinates,has disorder","296439","2024-12-06","17:02:16",""
"1572867","18.994","0.002","11.672","0.002","19.431","0.003","90","","118.39","0.02","90","","3789.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 N2 P Si2 -","- C36 H61 N2 P Si2 -","- C144 H244 N8 P4 Si8 -","4","1","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.089","0.0514","","","0.1088","0.1232","","","","","","1.05","","","","has coordinates,has disorder","296439","2024-12-06","17:02:19",""
"1572868","14.748","0.002","18.855","0.002","31.225","0.004","90","","90","","90","","8682.8","1.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 Mo N2 O5 P2 Si2 -","- C90 H120 Mo N2 O5 P2 Si2 -","- C360 H480 Mo4 N8 O20 P8 Si8 -","4","1","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.0703","0.0436","","","0.0886","0.0994","","","","","","1.043","","","","has coordinates,has disorder","296439","2024-12-06","17:02:19",""
"1572869","14.772","0.002","18.812","0.002","31.181","0.004","90","","90","","90","","8664.9","1.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 N2 O5 P2 Si2 W -","- C90 H120 N2 O5 P2 Si2 W -","- C360 H480 N8 O20 P8 Si8 W4 -","4","1","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.0217","0.0207","","","0.05","0.0504","","","","","","1.078","","","","has coordinates,has disorder","296439","2024-12-06","17:02:19",""
"1572870","13.6097","0.0008","13.9046","0.0008","18.5959","0.0011","68.205","0.002","70.537","0.002","81.543","0.002","3079.7","0.3","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H61 Co N6 O25 S2 Tb -","- C54 H61 Co N6 O25 S2 Tb -","- C108 H122 Co2 N12 O50 S4 Tb2 -","2","1","","Gupta, Ruchika; Aashish, ?; Upma, ?; Majumdar, Shubhangi; Chowdhury, Pramit K.; Gupta, Rajeev","Visible light mediated photocatalysis by lanthanide metal-organic frameworks: enhanced specificity and mechanistic insights.","Chemical science","2024","15","45","18952","18968","10.1039/d4sc04105d","","","0.71073","MoKα","","0.0822","0.065","","","0.1682","0.1871","","","","","","1.102","","","","has coordinates,has disorder","296432","2024-12-06","16:59:35",""
"1572871","12.7608","0.001","16.8135","0.0014","17.8856","0.0014","64.977","0.003","78.609","0.003","87.398","0.003","3405.6","0.5","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 Co Eu N6 O17 S -","- C51 H40 Co Eu N6 O17 S -","- C102 H80 Co2 Eu2 N12 O34 S2 -","2","1","","Gupta, Ruchika; Aashish, ?; Upma, ?; Majumdar, Shubhangi; Chowdhury, Pramit K.; Gupta, Rajeev","Visible light mediated photocatalysis by lanthanide metal-organic frameworks: enhanced specificity and mechanistic insights.","Chemical science","2024","15","45","18952","18968","10.1039/d4sc04105d","","","0.71073","MoKα","","0.0943","0.0652","","","0.175","0.1933","","","","","","1.042","","","","has coordinates","296432","2024-12-06","16:59:35",""
"1572872","25.58","0.03","37.13","0.03","38.88","0.04","90","","105.151","0.012","90","","35644","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C168 H92 B3.5 F14 N12 Pd2 -","- C168 H92 B3.5 F14 N12 Pd2 -","- C1344 H736 B28 F112 N96 Pd16 -","8","2","","Drechsler, Christoph; Baksi, Ananya; Platzek, André; Acar, Mert; Holstein, Julian J.; Stein, Christopher J.; Clever, Guido H.","London dispersion driven compaction of coordination cages in the gas-phase - a combined ion mobility and theoretical study.","Chemical science","2024","15","46","19264","19272","10.1039/d4sc04786a","","","0.88561","synchrotron","","0.1964","0.152","","","0.4177","0.4491","","","","","","1.678","","","","has coordinates","296416","2024-12-06","16:51:47",""
"1572873","13.2149","0.0003","5.5084","0.0001","13.7281","0.0004","90","","96.519","0.001","90","","992.85","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 O -","- C26 H28 O -","- C52 H56 O2 -","2","1","","Xin, Shuang; Liao, Jibang; Tang, Qi; Feng, Xiaoming; Liu, Xiaohua","Photoinduced copper-catalyzed asymmetric cyanoalkylalkynylation of alkenes, terminal alkynes, and oximes.","Chemical science","2024","15","44","18557","18563","10.1039/d4sc05642f","","","1.54178","CuKα","","0.0326","0.0304","","","0.0782","0.0793","","","","","","1.066","","","","has coordinates","296360","2024-12-06","16:22:54",""
"1572874","5.57076","0.00008","7.79768","0.00012","42.0452","0.0006","90","","90","","90","","1826.4","0.05","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Huang, Shisheng; Luo, Jilong; Chen, Ping; Chen, Jiean; Wang, Zhaofeng","Three-component modular synthesis of chiral 1,3-dioxoles <i>via</i> a Rh-catalyzed carbenic olefination cascade.","Chemical science","2024","15","44","18564","18571","10.1039/d4sc06166g","","","1.54184","CuKα","","0.0334","0.0317","","","0.0792","0.0803","","","","","","1.066","","","","has coordinates","296348","2024-12-06","16:18:28",""
"1572881","17.0841","0.0008","20.5511","0.001","26.5333","0.0012","73.391","0.002","72.258","0.002","65.634","0.002","7943.6","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C147.36 H170.13 Au25 N O S18 -","- C147.362 H170.128 Au25 N O S18 -","- C294.724 H340.256 Au50 N2 O2 S36 -","2","1","","Suzuki, Wataru; Takahata, Ryo; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Xue, Songlin; Teranishi, Toshiharu","Quantitative analysis of air-oxidation reactions of thiolate-protected gold nanoclusters.","Chemical science","2024","15","45","18896","18902","10.1039/d4sc02995j","","","0.71073","MoKα","","0.0444","0.0306","","","0.0648","0.0703","","","","","","1.033","","","","has coordinates,has disorder","296433","2024-12-06","16:59:54",""
"1572882","22.0664","0.0002","18.6023","0.0002","7.6331","0.0001","90","","98.659","0.001","90","","3097.57","0.06","273","0.1","273","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,10-diphenyl-2,3,7,8-tetra(thiophen-2-yl)pyrazino[2,3-g]quinoxaline","","- C38 H22 N4 S4 -","- C38 H22 N4 S4 -","- C152 H88 N16 S16 -","4","0.5","","Bezboruah, Jasmine; Khator, Kanha Ram; Gayen, Sayantan; Sanke, Devendra Mayurdhwaj; Mahapatra, Biplab; Sahoo, Anshuman; Nayak, Amlandeep; Reddy, C. Malla; Senanayak, Satyaprasad P.; Zade, Sanjio S.","Pyrazinoquinoxaline derivatives for flexible electronic devices: effect of the mechanical properties of the crystals on device durability.","Chemical science","2024","15","45","19000","19012","10.1039/d4sc04157g","","x-ray","1.54184","CuKα","","0.0453","0.0417","","","0.1195","0.1233","","","","","","1.053","","","","has coordinates","296437","2024-12-06","17:01:14",""
"1572883","10.0731","0.0004","12.6282","0.0006","12.997","0.0006","100.54","0.004","105.121","0.004","91.458","0.004","1564.45","0.13","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F N -","- C21 H15 F N -","- C84 H60 F4 N4 -","4","2","","Yang, Xi; Chen, Jingru; Zhang, Yang; Di, Yiming; Zhang, Guozhen; Chen, Songhua; Chen, Hongming; Lin, Mei-Jin","A hot exciton organic glassy scintillator for high-resolution X-ray imaging.","Chemical science","2024","15","45","18933","18942","10.1039/d4sc05544f","","x-ray","0.71073","MoKα","","0.0905","0.0472","","","0.104","0.1187","","","","","","1.028","","","","has coordinates","296440","2024-12-06","17:02:35",""
"1572884","7.876","0.008","10.166","0.005","21.176","0.013","78.16","0.05","85.41","0.05","86.98","0.05","1653","2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H34 Cl2 N2 -","- C43 H34 Cl2 N2 -","- C86 H68 Cl4 N4 -","2","1","","Yang, Xi; Chen, Jingru; Zhang, Yang; Di, Yiming; Zhang, Guozhen; Chen, Songhua; Chen, Hongming; Lin, Mei-Jin","A hot exciton organic glassy scintillator for high-resolution X-ray imaging.","Chemical science","2024","15","45","18933","18942","10.1039/d4sc05544f","","","1.54184","CuKα","","0.1097","0.0844","","","0.2186","0.2533","","","","","","1.055","","","","has coordinates","296440","2024-12-06","17:02:35",""
"1572887","7.383","0.0016","9.1133","0.0011","11.059","0.002","90","","98.63","0.016","90","","735.7","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Sm -","- C18 H18 Sm -","- C36 H36 Sm2 -","2","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","x-ray","0.71073","MoKα","","0.1172","0.0959","","","0.2434","0.2613","","","","","","1.004","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572888","11.7622","0.0015","13.1214","0.0018","8.6532","0.0011","90","","90","","90","","1335.5","0.3","150.01","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Y -","- C17 H17 Y -","- C68 H68 Y4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.1092","0.0536","","","0.1128","0.137","","","","","","1.017","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572889","12.0063","0.0007","12.8295","0.001","8.8907","0.0006","90","","90","","90","","1369.48","0.16","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Pr -","- C17 H17 Pr -","- C68 H68 Pr4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0771","0.0342","","","0.0608","0.0663","","","","","","0.788","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572890","12.1385","0.0007","12.7452","0.0011","8.9543","0.0011","90","","90","","90","","1385.3","0.2","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 La -","- C17.001 H17.001 La -","- C68.004 H68.004 La4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","x-ray","0.71073","MoKα","","0.0378","0.0231","","","0.0537","0.0554","","","","","","0.918","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572891","7.0169","0.0006","8.7585","0.0008","11.156","0.0009","90","","101.791","0.006","90","","671.15","0.1","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Y -","- C17 H17 Y -","- C68 H68 Y4 -","4","1","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","x-ray","0.71073","MoKα","","0.1367","0.1254","","","0.2668","0.2712","","","","","","1.171","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572892","11.8553","0.0008","13.0113","0.0008","8.7412","0.0006","90","","90","","90","","1348.36","0.15","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Gd -","- C17 H17 Gd -","- C68 H68 Gd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0643","0.0397","","","0.0866","0.0915","","","","","","0.933","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572893","11.9982","0.0008","12.876","0.0008","8.7824","0.0006","90","","90","","90","","1356.78","0.15","150","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Sm -","- C17 H17 Sm -","- C68 H68 Sm4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0631","0.0324","","","0.0679","0.0822","","","","","","1.009","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572894","12.055","0.004","12.777","0.005","8.864","0.003","90","","90","","90","","1365.3","0.8","150.15","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Pr -","- C17 H17 Pr -","- C68 H68 Pr4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.1319","0.0528","","","0.1097","0.1445","","","","","","1.007","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572895","11.8943","0.0007","12.9414","0.0006","8.8036","0.0006","90","","90","","90","","1355.13","0.14","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Sm -","- C17 H17 Sm -","- C68 H68 Sm4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0561","0.0323","","","0.0697","0.0763","","","","","","0.958","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572896","12.0523","0.0009","12.8172","0.0012","8.9448","0.001","90","","90","","90","","1381.8","0.2","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17.01 H17.01 Ce -","- C17.012 H17.012 Ce -","- C68.048 H68.048 Ce4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0714","0.0329","","","0.0633","0.0692","","","","","","0.917","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572897","11.8081","0.0012","13.0574","0.001","8.669","0.0009","90","","90","","90","","1336.6","0.2","150.02","","150.02","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Dy -","- C17 H17 Dy -","- C68 H68 Dy4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.055","0.0384","","","0.0776","0.0844","","","","","","1.082","","","","has coordinates","296418","2024-12-06","16:52:32",""
"1572898","12.187","0.003","12.736","0.003","8.974","0.002","90","","90","","90","","1392.9","0.6","150.15","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 La -","- C17 H17 La -","- C68 H68 La4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0879","0.0363","","","0.0785","0.098","","","","","","1.011","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572899","11.781","0.006","13.017","0.008","8.708","0.005","90","","90","","90","","1335.4","1.3","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Tb -","- C17 H17 Tb -","- C68 H68 Tb4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0726","0.0447","","","0.1093","0.1274","","","","","","1.101","","","","has coordinates","296418","2024-12-06","16:52:32",""
"1572900","11.7641","0.001","13.1227","0.0012","8.6544","0.0009","90","","90","","90","","1336","0.2","150.01","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Ho -","- C17 H17 Ho -","- C68 H68 Ho4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0615","0.0379","","","0.064","0.0677","","","","","","0.842","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572901","12.0748","0.0018","12.8129","0.0019","8.8427","0.0014","90","","90","","90","","1368.1","0.4","150.15","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Nd -","- C17 H17 Nd -","- C68 H68 Nd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.1015","0.0389","","","0.0861","0.1087","","","","","","1.022","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572902","12.1258","0.0014","12.7752","0.0016","8.919","0.001","90","","90","","90","","1381.6","0.3","5","","5","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Ce -","- C17 H17 Ce -","- C68 H68 Ce4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0635","0.0267","","","0.0562","0.0676","","","","","","1.009","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572903","11.983","0.002","12.877","0.003","8.8927","0.0017","90","","90","","90","","1372.2","0.5","149.99","","149.99","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Nd -","- C17 H17 Nd -","- C68 H68 Nd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0885","0.0396","","","0.0849","0.1043","","","","","","1.047","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572904","11.9615","0.0015","12.9116","0.0019","8.7283","0.001","90","","90","","90","","1348","0.3","150.01","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Gd -","- C17 H17 Gd -","- C68 H68 Gd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.11","0.0486","","","0.096","0.1171","","","","","","0.997","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572905","16.4316","0.0016","19.567","0.0017","23.352","0.002","108.849","0.005","108.693","0.005","92.157","0.005","6646.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H124 Er2 N17 Nd O21 -","- C160 H124 Er2 N17 Nd O21 -","- C320 H248 Er4 N34 Nd2 O42 -","2","1","","Maniaki, Diamantoula; Sickinger, Annika; Barrios, Leoní A; Aguilà, David; Roubeau, Olivier; Guyot, Yannick; Riobé, François; Maury, Olivier; Abad Galán, Laura; Aromí, Guillem","Energy exchange between Nd<sup>3+</sup> and Er<sup>3+</sup> centers within molecular complexes.","Chemical science","2024","15","44","18295","18302","10.1039/d4sc03994g","","","0.71073","MoKα","","0.0833","0.0558","","","0.132","0.1499","","","","","","1.026","","","","has coordinates,has disorder","296356","2024-12-06","16:21:56",""
"1572906","7.6082","0.0004","11.0116","0.0011","10.8744","0.0013","89.49","0.009","98.254","0.007","89.986","0.006","901.57","0.15","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C42 H58 N2 O10 -","2","1","","Kage, Mirai; Yamakoshi, Hiroyuki; Tabata, Manami; Ohashi, Eisaku; Noguchi, Kimihiro; Watanabe, Takeshi; Uchida, Manato; Takada, Minetatsu; Ikeuchi, Kazutada; Nakamura, Seiichi","Oxidative generation of isobenzofurans from phthalans: application to the formal synthesis of (±)-morphine.","Chemical science","2024","15","45","19070","19076","10.1039/d4sc05890a","","","0.71073","MoKα","","0.1234","0.1083","","","0.2898","0.3177","","","","","","1.322","","","","has coordinates","296442","2024-12-06","17:03:21",""
"1572907","6.2444","0.0003","9.2125","0.0004","6.7656","0.0003","90","","94.855","0.002","90","","387.81","0.03","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C14 H20 Cl2 N2 O2 -","2","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0312","0.0253","","","0.0621","0.0682","","","","","","1.116","","","","has coordinates,has disorder","296436","2024-12-06","17:00:50",""
"1572908","7.2301","0.0013","7.416","0.002","11.002","0.003","90","","90","","90","","589.9","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 Cl N O -","- C5 H6 Cl N O -","- C20 H24 Cl4 N4 O4 -","4","1","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.1021","0.0933","","","0.224","0.2335","","","","","","1.107","","","","has coordinates,has disorder","296436","2024-12-06","17:00:51",""
"1572909","6.9789","0.0007","7.1228","0.0006","8.6438","0.0009","90","","92.072","0.004","90","","429.4","0.07","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H9 Cl2 N O -","- C7 H9 Cl2 N O -","- C14 H18 Cl4 N2 O2 -","2","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0512","0.0373","","","0.0756","0.0887","","","","","","1.261","","","","has coordinates,has disorder","296436","2024-12-06","17:00:51",""
"1572910","11.8112","0.0005","8.9258","0.0003","17.6828","0.0008","90","","108.178","0.001","90","","1771.16","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 Cl3 N2 O4 -","- C14 H19 Cl3 N2 O4 -","- C56 H76 Cl12 N8 O16 -","4","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0414","0.0363","","","0.091","0.0951","","","","","","1.119","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572911","8.8661","0.0005","10.3264","0.0004","10.6277","0.0006","90","","90","","90","","973.02","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 Cl N O -","- C9 H14 Cl N O -","- C36 H56 Cl4 N4 O4 -","4","1","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0213","0.0204","","","0.052","0.0528","","","","","","1.088","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572912","7.3618","0.0017","8.291","0.002","13.265","0.003","85.903","0.009","88.725","0.007","66.463","0.008","740.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 Cl3 N4 O4 -","- C28 H37 Cl3 N4 O4 -","- C28 H37 Cl3 N4 O4 -","1","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.1128","0.06","","","0.1249","0.1578","","","","","","1.059","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572913","7.7469","0.0004","9.1814","0.0005","13.0548","0.0007","82.272","0.002","80.701","0.002","66.1","0.002","835.32","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 Cl N O2 -","- C7 H10 Cl N O2 -","- C28 H40 Cl4 N4 O8 -","4","2","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0359","0.0269","","","0.061","0.0665","","","","","","1.046","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572914","6.027","0.003","11.706","0.006","15.295","0.009","71.538","0.019","81.375","0.019","89.527","0.014","1011.1","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 Cl3 N2 O2 -","- C22 H19 Cl3 N2 O2 -","- C44 H38 Cl6 N4 O4 -","2","1","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.3614","0.1321","","","0.2983","0.438","","","","","","1.086","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572915","13.8648","0.001","13.76","0.0008","16.1649","0.0015","90","","115.221","0.002","90","","2789.9","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 Cl2 N O -","- C5 H5 Cl2 N O -","- C80 H80 Cl32 N16 O16 -","16","2","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0874","0.0758","","","0.246","0.2593","","","","","","1.282","","","","has coordinates,has disorder","296436","2024-12-06","17:00:51",""
"1572916","7.2228","0.0013","8.5908","0.0016","8.6321","0.0017","68.449","0.006","65.454","0.006","78.43","0.007","452.42","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl3 N2 O2 -","- C16 H23 Cl3 N2 O2 -","- C16 H23 Cl3 N2 O2 -","1","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0479","0.0339","","","0.0848","0.0954","","","","","","1.048","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572917","16.1886","0.0017","9.8424","0.001","16.2722","0.0019","90","","114.734","0.004","90","","2354.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9,10-bis(4?-methoxyphenyl)-9,10-bis(trifluoromethyl)-9,10-dihydroanthracene","","- C30 H22 F6 O2 -","- C30 H22 F6 O2 -","- C120 H88 F24 O8 -","4","1","","Wu, Kim Jiayi; Tobin, John M.; Ji, Anli; Shi, Yang; Ye, Chunchun; Nichol, Gary S.; Fuoco, Alessio; Longo, Mariagiulia; Jansen, Johannes C.; McKeown, Neil B.","The CF3TMS adduct of anthraquinone as a monomer for making polymers with potential as separation membranes","Polymer Chemistry","2024","15","42","4312","4318","10.1039/D4PY01002G","","","0.71073","MoKα","","0.0381","0.0231","","","0.0285","0.032","","","","","","1.0894","","","","has coordinates","296715","2024-12-06","20:53:45",""
"1572918","8.0774","0.0002","18.4805","0.0005","17.7635","0.0005","90","","99.271","0.001","90","","2617","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ThBz-CPC-Ox","","- C38 H21 N2 O P S -","- C38 H21 N2 O P S -","- C152 H84 N8 O4 P4 S4 -","4","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.34138","GaKα","","0.0402","0.0336","","","0.0851","0.088","","","","","","1.032","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572919","13.6771","0.0008","14.4294","0.0009","14.6848","0.0009","60.57","","84.003","0.002","77.723","0.002","2466.4","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H39 N4 O P S -","- C62 H39 N4 O P S -","- C124 H78 N8 O2 P2 S2 -","2","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0759","0.0707","","","0.1898","0.1949","","","","","","1.049","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572920","20.9037","0.0014","14.1564","0.0009","21.8058","0.0015","90","","90","","90","","6452.8","0.7","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H21 N2 P S2 -","- C38 H21 N2 P S2 -","- C304 H168 N16 P8 S16 -","8","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0636","0.0628","","","0.1739","0.1754","","","","","","1.064","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572921","11.486","0.0003","14.0112","0.0004","15.5461","0.0005","79.869","0.001","84.017","0.001","87.229","0.001","2448.3","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H47 N4 O2 P S -","- C66 H47 N4 O2 P S -","- C132 H94 N8 O4 P2 S2 -","2","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0739","0.0696","","","0.1918","0.1988","","","","","","1.079","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572922","13.804","0.0002","21.4141","0.0004","11.1906","0.0002","90","","96.056","0.002","90","","3289.48","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 B S4 Si -","- C35 H37 B S4 Si -","- C140 H148 B4 S16 Si4 -","4","1","","Yamada, Kohei; Adachi, Yohei; Ohshita, Joji","Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms.","Chemical science","2024","15","45","18985","18991","10.1039/d4sc06150k","","x-ray","0.71073","MoKα","","0.0386","0.0311","","","0.075","0.0778","","","","","","1.046","","","","has coordinates","296438","2024-12-06","17:01:32",""
"1572923","8.9658","0.0002","24.7394","0.0005","17.7919","0.0004","90","","98.333","0.002","90","","3904.73","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 B S4 Si -","- C45 H41 B S4 Si -","- C180 H164 B4 S16 Si4 -","4","1","","Yamada, Kohei; Adachi, Yohei; Ohshita, Joji","Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms.","Chemical science","2024","15","45","18985","18991","10.1039/d4sc06150k","","x-ray","0.71073","MoKα","","0.0559","0.0412","","","0.0915","0.0961","","","","","","1.057","","","","has coordinates","296438","2024-12-06","17:01:33",""
"1572924","9.0376","0.0002","15.9768","0.0004","15.9911","0.0003","98.872","0.002","94.418","0.002","102.867","0.002","2209.16","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H45 B S4 Si -","- C53 H45 B S4 Si -","- C106 H90 B2 S8 Si2 -","2","1","","Yamada, Kohei; Adachi, Yohei; Ohshita, Joji","Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms.","Chemical science","2024","15","45","18985","18991","10.1039/d4sc06150k","","x-ray","0.71073","MoKα","","0.0444","0.0353","","","0.0864","0.0899","","","","","","1.046","","","","has coordinates","296438","2024-12-06","17:01:33",""
"1572925","19.117","0.016","19.984","0.01","32.685","0.017","90","","102.54","0.03","90","","12189","14","95","2","95.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C285.82 H340.26 N8 Si4 -","- C285.812 H340.228 N8 Si4 -","- C571.624 H680.456 N16 Si8 -","2","0.5","","Li, Ke; Yoshida, Satoshi; Yakushiji, Ryo; Liu, Xingchi; Ge, Chang; Xu, Zhuofan; Ni, Yong; Ma, Xiaonan; Wu, Jishan; Sato, Sota; Sun, Zhe","Molecular cylinders with donor-acceptor structure and swinging motion.","Chemical science","2024","15","45","18832","18839","10.1039/d4sc05849f","","","0.9","synchrotron","","0.1282","0.0928","","","0.2595","0.3038","","","","","","1.148","","","","has coordinates,has disorder","296434","2024-12-06","17:00:10",""
"1572926","13.6277","0.0004","14.8406","0.0004","20.3507","0.0005","98.3","0.002","93.13","0.002","116.152","0.003","3623.2","0.2","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H82 O3 P4 Pd4 -","- C84 H82 O3 P4 Pd4 -","- C168 H164 O6 P8 Pd8 -","2","1","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.0378","0.0308","","","0.074","0.0777","","","","","","1.025","","","","has coordinates","296358","2024-12-06","16:22:35",""
"1572927","13.9903","0.0002","15.1118","0.0002","19.6632","0.0003","82.3154","0.0014","83.154","0.0013","82.3315","0.0013","4061.19","0.1","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86.91 H86.4 Cl4.87 O P4 Pd4 -","- C86.911 H86.412 Cl4.872 O P4 Pd4 -","- C173.822 H172.824 Cl9.744 O2 P8 Pd8 -","2","1","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.0374","0.0326","","","0.0847","0.0874","","","","","","1.025","","","","has coordinates,has disorder","296358","2024-12-06","16:22:35",""
"1572928","15.0801","0.0003","15.0825","0.0003","16.2726","0.0002","79.726","0.001","74.132","0.001","63.091","0.002","3168.19","0.11","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 B2 F O5 P3 Pd4 -","- C63 H60 B2 F O5 P3 Pd4 -","- C126 H120 B4 F2 O10 P6 Pd8 -","2","1","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.0469","0.0376","","","0.1006","0.1056","","","","","","1.052","","","","has coordinates,has disorder","296358","2024-12-06","16:22:35",""
"1572929","15.4929","0.0002","20.2644","0.0003","32.5025","0.0005","75.5537","0.0014","85.6199","0.0013","84.3876","0.0013","9820","0.3","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C94 H104 O6 P5 Pd6 -","- C94 H104 O6 P5 Pd6 -","- C376 H416 O24 P20 Pd24 -","4","2","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.075","0.0645","","","0.1806","0.189","","","","","","1.046","","","","has coordinates,has disorder","296358","2024-12-06","16:22:35",""
"1572931","15.8412","0.0018","3.9132","0.0004","28.452","0.003","90","","102.031","0.003","90","","1725","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H11 B S4 -","- C22 H11 B S4 -","- C88 H44 B4 S16 -","4","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.105","0.0969","","","0.2766","0.2846","","","","","","1.105","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572932","3.9616","0.0002","19.677","0.0011","19.981","0.0009","90","","90","","90","","1557.57","0.14","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H11 B S3 -","- C20 H11 B S3 -","- C80 H44 B4 S12 -","4","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.1268","0.0585","","","0.1252","0.1575","","","","","","1.007","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572933","13.507","0.001","7.4267","0.0005","19.947","0.0015","90","","90","","90","","2000.9","0.3","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C11 H5.5 B0.5 S2 -","- C11 H5.5 B0.5 S2 -","- C88 H44 B4 S16 -","8","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0666","0.0449","","","0.1105","0.122","","","","","","0.995","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572934","18.0631","0.0008","7.556","0.0003","22.9236","0.0011","90","","90","","90","","3128.7","0.2","281","2","281","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H11 B S3 -","- C20 H11 B S3 -","- C160 H88 B8 S24 -","8","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0371","0.0305","","","0.0832","0.0893","","","","","","1.007","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572935","50.501","0.011","14.437","0.003","20.652","0.005","90","","110.306","0.006","90","","14121","5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 B N S4 -","- C42 H34 B N S4 -","- C672 H544 B16 N16 S64 -","16","2","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.1531","0.077","","","0.1842","0.2362","","","","","","1.056","","","","has coordinates,has disorder","296413","2024-12-06","16:50:19",""
"1572936","12.5062","0.001","13.0995","0.0013","22.288","0.002","96.768","0.003","96.462","0.003","90.512","0.003","3601.9","0.6","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H68 B2 N2 S8 -","- C84 H68 B2 N2 S8 -","- C168 H136 B4 N4 S16 -","2","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0718","0.0508","","","0.1425","0.1539","","","","","","1.08","","","","has coordinates,has disorder","296413","2024-12-06","16:50:19",""
"1572937","20.74","0.004","4.425","0.0009","18.376","0.004","90","","94.79","0.03","90","","1680.6","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N6 -","- C21 H14 N6 -","- C84 H56 N24 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.0683","0.0608","","","0.1726","0.18","","","","","","1.093","","","","has coordinates","296441","2024-12-06","17:03:10",""
"1572938","16.859","0.003","23.453","0.005","17.529","0.01","90","","90.35","0.03","90","","6931","4","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C122 H113 B3 F12 N43 Pd2 -","- C100 H80 B3 F12 N32 Pd2 -","- C200 H160 B6 F24 N64 Pd4 -","2","0.25","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","MoKα","","0.0621","0.0534","","","0.1563","0.1629","","","","","","0.984","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572939","14.864","0.003","57.355","0.012","27.051","0.005","90","","90","","90","","23062","8","100","2","100","2","","","","","","","","8","C c c 2","C 2 -2c","37","","","","- C187 H136 B7 Br Cl27 F28 N53 Pd4 -","- C172 H116 B7 Br Cl12 F28 N48 Pd4 -","- C688 H464 B28 Br4 Cl48 F112 N192 Pd16 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.0904","0.0784","","","0.2322","0.2491","","","","","","1.052","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572940","14.977","0.003","27.843","0.006","49.372","0.01","90","","90","","90","","20588","7","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C182 H130 B Cl27 F4 N51.5 O20.25 Pd4 -","- C172 H116 B Cl18 F4 N48 O20 Pd4 -","- C688 H464 B4 Cl72 F16 N192 O80 Pd16 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.1612","0.0949","","","0.2667","0.3166","","","","","","1.041","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572941","14.916","0.003","27.009","0.005","58.19","0.012","90","","90","","90","","23443","8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C379 H277 B14 Cl71 F56 N106 Pd8 -","- C339 H227 B14 Cl11 F56 N96 Pd8 -","- C678 H454 B28 Cl22 F112 N192 Pd16 -","2","0.25","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.1433","0.1212","","","0.4093","0.4229","","","","","","1.605","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572942","8.5111","0.0003","11.2673","0.0004","12.0154","0.0005","90.902","0.002","99.837","0.002","110.12","0.002","1062.56","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 O2 S2 -","- C11 H10 O2 S2 -","- C44 H40 O8 S8 -","4","2","","Stühler, Merlin R; Kreische, Marie; Fornacon-Wood, Christoph; Rupf, Susanne M.; Langer, Robert; Plajer, Alex J.","Monomer centred selectivity guidelines for sulfurated ring-opening copolymerisations.","Chemical science","2024","15","45","19029","19036","10.1039/d4sc05858e","","","0.71073","MoKα","","0.0609","0.0381","","","0.0812","0.0999","","","","","","1.114","","","","has coordinates","296431","2024-12-06","16:59:17",""
"1572945","11.0896","0.0006","12.0006","0.0007","22.7952","0.0013","90","","90","","90","","3033.6","0.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N O5 P Pd S -","- C33 H32 N O5 P Pd S -","- C132 H128 N4 O20 P4 Pd4 S4 -","4","1","","Li, Yong-Qing; Cao, Gui-Ping; Cao, Yu-Cai","Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes","Polymer Chemistry","2024","15","45","4662","4672","10.1039/D4PY00722K","","","1.34139","GaKα","","0.0215","0.0215","","","0.0567","0.0568","","","","","","1.093","","","","has coordinates","296717","2024-12-06","20:54:15",""
"1572946","17.077","0.003","19.687","0.004","20.582","0.004","90","0.03","91.1","0.03","90","0.03","6918","2","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H69 N2 O10 P2 Pd2 S2 -","- C76 H68 N2 O10 P2 Pd2 S2 -","- C304 H272 N8 O40 P8 Pd8 S8 -","4","1","","Li, Yong-Qing; Cao, Gui-Ping; Cao, Yu-Cai","Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes","Polymer Chemistry","2024","15","45","4662","4672","10.1039/D4PY00722K","","","0.71073","MoKα","","0.3259","0.1906","","","0.3829","0.4786","","","","","","1.438","","","","has coordinates","296717","2024-12-06","20:54:16",""
"1572970","13.0359","0.0007","12.4928","0.0007","7.6471","0.0004","90","","97.074","0.002","90","","1235.89","0.12","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 Se -","- C15 H12 O2 Se -","- C60 H48 O8 Se4 -","4","1","","Sarkar, Utsav Dey; Rana, Mahima; Chakrapani, Harinath","Phenacylselenoesters allow facile selenium transfer and hydrogen selenide generation.","Chemical science","2024","15","46","19315","19321","10.1039/d4sc05788k","","","0.71073","MoKα","","0.0214","0.0184","","","0.0445","0.0459","","","","","","1.089","","","","has coordinates","296417","2024-12-06","16:51:56",""
"1572977","15.6986","0.0003","17.2101","0.0003","17.628","0.0003","76.436","0.002","71.465","0.002","89.91","0.002","4375.87","0.15","102.1","","102.1","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H28 F34 Fe2 N4 O16 Ru4 -","- C88 H28 F34 Fe2 N4 O16 Ru4 -","- C176 H56 F68 Fe4 N8 O32 Ru8 -","2","1","","Liu, Qingxin; Kosaka, Wataru; Miyasaka, Hitoshi","Dynamic spin reordering in a hybrid layered ferrimagnet with intercalated biferrocenium radicals.","Chemical science","2024","15","46","19411","19419","10.1039/d4sc04722b","","x-ray","0.71073","MoKα","","0.0603","0.0394","","","0.0865","0.0923","","","","","","1.025","","","","has coordinates","296415","2024-12-06","16:51:19",""
"1572978","15.6132","0.0004","17.0211","0.0004","17.6801","0.0005","76.27","0.002","71.301","0.002","89.251","0.002","4313.2","0.2","102.1","","102.1","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H28 F34 Fe2 N4 O16 Rh4 -","- C88 H28 F34 Fe2 N4 O16 Rh4 -","- C176 H56 F68 Fe4 N8 O32 Rh8 -","2","1","","Liu, Qingxin; Kosaka, Wataru; Miyasaka, Hitoshi","Dynamic spin reordering in a hybrid layered ferrimagnet with intercalated biferrocenium radicals.","Chemical science","2024","15","46","19411","19419","10.1039/d4sc04722b","","x-ray","0.71073","MoKα","","0.1246","0.0732","","","0.166","0.187","","","","","","1.026","","","","has coordinates","296415","2024-12-06","16:51:20",""
"1572988","9.9809","0.0008","12.4367","0.0011","21.6963","0.0018","90","","90","","90","","2693.1","0.4","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","You, Yipeng; Zhang, Xue-Jie; Xiao, Wen; Kunthic, Thittaya; Xiang, Zheng; Xu, Chen","Unified enantiospecific synthesis of drimane meroterpenoids enabled by enzyme catalysis and transition metal catalysis.","Chemical science","2024","15","46","19307","19314","10.1039/d4sc06060a","","x-ray","1.34138","GaKα","","0.0289","0.0282","","","0.076","0.0767","","","","","","1.06","","","","has coordinates","296420","2024-12-06","16:53:04",""
"1572989","12.2439","0.001","15.9738","0.0014","16.1746","0.0014","115.689","0.003","99.245","0.003","102.148","0.003","2670.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H86 Dy6 O83 S20 -","- C50 H56 Dy6 O68 S20 -","- C50 H56 Dy6 O68 S20 -","1","0.5","","Manna, Fabio; Oggianu, Mariangela; Auban-Senzier, Pascale; Novitchi, Ghenadie; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","A highly conducting tetrathiafulvalene-tetracarboxylate based dysprosium(iii) 2D metal-organic framework with single molecule magnet behaviour.","Chemical science","2024","15","46","19247","19263","10.1039/d4sc05763e","","","0.71073","MoKα","","0.0423","0.0325","","","0.0684","0.0716","","","","","","1.059","","","","has coordinates","296409","2024-12-06","16:48:20",""
"1572993","6.8905","0.0017","21.852","0.005","12.298","0.003","90","","90","","90","","1851.7","0.8","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 N13 O3 Rb3 -","- C9 H6 N13 O3 Rb3 -","- C36 H24 N52 O12 Rb12 -","4","1","","Dou, Danyang; Zhang, Bingbing; Yang, Daqing; Wang, Ying","Large second harmonic generation and birefringence from extended octupolar π-conjugated structures.","Chemical science","2024","15","46","19496","19503","10.1039/d4sc05756b","","x-ray","0.71073","MoKα","","0.0388","0.0357","","","0.0964","0.0992","","","","","","1.129","","","","has coordinates","296412","2024-12-06","16:49:43",""
"1572994","6.898","0.003","21.946","0.008","12.324","0.003","90","","90","","90","","1865.7","1.2","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 Cs3 N13 O3 -","- C9 H6 Cs3 N13 O3 -","- C36 H24 Cs12 N52 O12 -","4","1","","Dou, Danyang; Zhang, Bingbing; Yang, Daqing; Wang, Ying","Large second harmonic generation and birefringence from extended octupolar π-conjugated structures.","Chemical science","2024","15","46","19496","19503","10.1039/d4sc05756b","","x-ray","0.71073","MoKα","","0.0692","0.0517","","","0.1139","0.1217","","","","","","1.084","","","","has coordinates","296412","2024-12-06","16:49:44",""
"1573003","31.326","0.003","23.4652","0.0019","24.275","0.002","90","","90","","90","","17844","3","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H21 As3 Mo10 N3 O41 Se -","- C18 H21 As3 Mo10 N3 O41 Se -","- C144 H168 As24 Mo80 N24 O328 Se8 -","8","1","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.0759","0.0619","","","0.1647","0.1721","","","","","","1.078","","","","has coordinates","295751","2024-11-04","11:12:18",""
"1573004","13.93","0.003","20.189","0.005","24.369","0.006","91.991","0.007","99.609","0.008","90.075","0.008","6753","3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 As4 Mo20 N4 O82 Se2.63 -","- C24 H27 As4 Mo20 N4 O82 Se2.63 -","- C48 H54 As8 Mo40 N8 O164 Se5.26 -","2","1","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.1878","0.141","","","0.3559","0.3731","","","","","","1.226","","","","has coordinates,has disorder","295751","2024-11-04","11:12:20",""
"1573005","12.1018","0.0014","15.6636","0.0019","22.209","0.003","99.665","0.004","94.683","0.004","108.62","0.004","3891.5","0.8","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H38 As6 Ce2 Mo20 N6 O94 Se2 -","- C36 H38 As6 Ce2 Mo20 N6 O94 Se2 -","- C36 H38 As6 Ce2 Mo20 N6 O94 Se2 -","1","0.5","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.0422","0.0309","","","0.0724","0.0759","","","","","","1.049","","","","has coordinates,has disorder","295751","2024-11-04","11:12:20",""
"1573006","7.8096","0.0002","11.2175","0.0003","38.8558","0.0009","90","","90","","90","","3403.93","0.15","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 Cl4 N2 -","- C42 H30 Cl4 N2 -","- C168 H120 Cl16 N8 -","4","1","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","1.54178","CuKα","","0.0584","0.0542","","","0.1348","0.1389","","","","","","1.041","","","","has coordinates","295752","2024-11-04","11:13:24",""
"1573007","7.8033","0.0008","11.2205","0.0012","38.855","0.004","90","","90","","90","","3402","0.6","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 Cl4 N2 -","- C42 H30 Cl4 N2 -","- C168 H120 Cl16 N8 -","4","1","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","1.34139","GaKα","","0.0748","0.0611","","","0.1502","0.1596","","","","","","1.065","","","","has coordinates","295752","2024-11-04","11:13:28",""
"1573008","25.6752","0.0014","7.7929","0.0004","22.2195","0.0018","90","","123.416","0.002","90","","3710.9","0.4","170","","170","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C109 H70 Cl2 N4 -","- C109 H70 Cl2 N4 -","- C218 H140 Cl4 N8 -","2","0.5","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","1.34139","GaKα","","0.0626","0.0449","","","0.0995","0.1066","","","","","","1.046","","","","has coordinates,has disorder","295752","2024-11-04","11:13:30",""
"1573009","14.082","0.002","16.518","0.002","26.742","0.004","90","","90","","90","","6220.4","1.5","294.3","","294.3","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C75 H48 Cl2 N4 -","- C75 H48 Cl2 N4 -","- C300 H192 Cl8 N16 -","4","1","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","0.71073","MoKα","","0.2236","0.0809","","","0.1751","0.2455","","","","","","0.927","","","","has coordinates","295752","2024-11-04","11:13:41",""
"1573010","5.994","0.0001","16.4455","0.0004","24.7082","0.0006","90","","90","","90","","2435.59","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C112 H136 N8 O12 -","4","1","","Tan, Jiuqi; Yang, Longqing; Su, Hanyu; Yang, Yuntian; Zhong, Ziwei; Feng, Xiaoming; Liu, Xiaohua","Visible-light-driven asymmetric aldol reaction of ketones and glycinates <i>via</i> synergistic Lewis acid/photoredox catalysis.","Chemical science","2024","15","39","16050","16058","10.1039/d4sc04900d","","","1.54178","CuKα","","0.0777","0.0713","","","0.1488","0.1535","","","","","","1.112","","","","has coordinates","295753","2024-11-04","11:16:26",""
"1573011","9.092","0.0003","10.7481","0.0003","15.4529","0.0005","92.2249","0.0014","103.007","0.0013","95.7954","0.0012","1460.87","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H30 B2 -","- C44 H30 B2 -","- C88 H60 B4 -","2","1","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0679","0.0523","","","0.1408","0.1488","","","","","","1.065","","","","has coordinates","295754","2024-11-04","11:17:41",""
"1573012","8.1524","0.0002","8.4349","0.0002","40.5242","0.0011","90","","90","","90","","2786.63","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H24 B2 F2 -","- C42 H24 B2 F2 -","- C168 H96 B8 F8 -","4","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0587","0.0524","","","0.1507","0.155","","","","","","1.106","","","","has coordinates","295754","2024-11-04","11:17:46",""
"1573013","19.8935","0.0012","7.5081","0.0004","11.7916","0.0007","90","","92.113","0.002","90","","1760.02","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 B2 -","- C48 H38 B2 -","- C96 H76 B4 -","2","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0462","0.0427","","","0.1176","0.1221","","","","","","1.038","","","","has coordinates","295754","2024-11-04","11:17:56",""
"1573014","43.961","0.002","9.5533","0.0004","7.9022","0.0004","90","","95.191","0.003","90","","3305.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H30 B2 -","- C50 H30 B2 -","- C200 H120 B8 -","4","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0669","0.0507","","","0.1375","0.1491","","","","","","1.03","","","","has coordinates","295754","2024-11-04","11:17:57",""
"1573015","15.6381","0.0008","14.3429","0.0006","8.1555","0.0004","90","","98.268","0.002","90","","1810.23","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B -","- C27 H19 B -","- C108 H76 B4 -","4","1","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","0.71073","MoKα","","0.049","0.0436","","","0.1184","0.1243","","","","","","1.052","","","","has coordinates","295754","2024-11-04","11:17:59",""
"1573016","9.3575","0.0002","12.6004","0.0003","17.5852","0.0005","96.4677","0.0012","98.9712","0.0013","104.136","0.0012","1961.32","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 B2 S2 -","- C38 H22 B2 S2 -","- C114 H66 B6 S6 -","3","1.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.051","0.0393","","","0.102","0.1123","","","","","","1.023","","","","has coordinates,has disorder","295754","2024-11-04","11:17:59",""
"1573017","7.49","0.07","10.23","0.09","10.81","0.1","82.27","0.03","87.799","0.013","70.095","0.013","772","12","298","","298","","","","","","","","see text","4","P -1","-P 1","2","","","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C36 H28 N4 O16 -","4","2","","Vinod, Kavya; Mathew, Renny; Jandl, Christian; Thomas, Brijith; Hariharan, Mahesh","Electron diffraction and solid-state NMR reveal the structure and exciton coupling in a eumelanin precursor.","Chemical science","2024","15","39","16015","16024","10.1039/d4sc05453a","","","0.02851","electron","","0.188","0.1365","","","0.3234","0.3604","","","","","","1.088","","","","has coordinates","295755","2024-11-04","11:19:59",""
"1573018","9.9066","0.0002","9.8822","0.0002","14.8879","0.0002","90","","92.988","0.001","90","","1455.53","0.05","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N P -","- C17 H14 N P -","- C68 H56 N4 P4 -","4","1","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","x-ray","1.54184","CuKα","","0.0445","0.0379","","","0.0979","0.1014","","","","","","1.047","","","","has coordinates","295756","2024-11-04","11:22:21",""
"1573019","16.4372","0.0006","8.2217","0.0003","26.8461","0.0009","90","","96.244","0.003","90","","3606.5","0.2","268.55","0.1","268.55","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cd Cl4 N2 P2 -","- C34 H30 Cd Cl4 N2 P2 -","- C136 H120 Cd4 Cl16 N8 P8 -","4","0.5","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","x-ray","0.71073","MoKα","","0.0509","0.0367","","","0.0895","0.0982","","","","","","1.033","","","","has coordinates","295756","2024-11-04","11:22:22",""
"1573020","16.3042","0.0012","8.1166","0.0006","26.7689","0.0019","90","","96.491","0.002","90","","3519.7","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl4 N2 P2 Zn -","- C34 H30 Cl4 N2 P2 Zn -","- C136 H120 Cl16 N8 P8 Zn4 -","4","0.5","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","","0.71073","MoKα","","0.0729","0.0445","","","0.0987","0.1087","","","","","","1.013","","","","has coordinates","295756","2024-11-04","11:22:22",""
"1573021","11.734","0.0007","8.8163","0.0004","20.568","0.0011","90","","100.522","0.002","90","","2091.99","0.19","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl4 N P Sb -","- C17 H15 Cl4 N P Sb -","- C68 H60 Cl16 N4 P4 Sb4 -","4","1","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","","0.71073","MoKα","","0.0635","0.0402","","","0.0848","0.0941","","","","","","1.023","","","","has coordinates","295756","2024-11-04","11:22:22",""
"1573022","16.3477","0.001","8.1633","0.0005","26.8181","0.0016","90","","96.399","0.002","90","","3556.6","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl4 Mn N2 P2 -","- C34 H30 Cl4 Mn N2 P2 -","- C136 H120 Cl16 Mn4 N8 P8 -","4","0.5","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","","0.71073","MoKα","","0.0608","0.0386","","","0.0888","0.0973","","","","","","1.043","","","","has coordinates","295756","2024-11-04","11:22:23",""
"1573023","38.6708","0.0006","24.18","0.0002","26.6822","0.0006","90","","108.601","0.002","90","","23646.2","0.7","169.99","0.1","169.99","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C137 H171 Cl3 -","- C137 H171 Cl3 -","- C1096 H1368 Cl24 -","8","1","","Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei","π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.","Chemical science","2024","15","40","16529","16535","10.1039/d4sc03460k","","x-ray","1.54178","CuKα","","0.1397","0.1161","","","0.3203","0.335","","","","","","2.231","","","","has coordinates,has disorder","295757","2024-11-04","11:24:59",""
"1573024","46.521","0.002","45.59","0.002","24.322","0.002","90","","90","","90","","51584","5","117.4","0.14","117.4","0.14","","","","","","","","2","F d d d :2","-F 2uv 2vw","70","","","","- C136 H158 -","- C136 H158 -","- C2176 H2528 -","16","0.5","","Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei","π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.","Chemical science","2024","15","40","16529","16535","10.1039/d4sc03460k","","x-ray","0.71073","MoKα","","0.2174","0.12","","","0.2732","0.3108","","","","","","1.244","","","","has coordinates,has disorder","295757","2024-11-04","11:25:01",""
"1573025","23.7294","0.0002","16.1006","0.0001","31.9392","0.0002","90","","101.58","0.001","90","","11954.2","0.15","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C142 H163 Cl -","- C142 H163 Cl -","- C568 H652 Cl4 -","4","1","","Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei","π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.","Chemical science","2024","15","40","16529","16535","10.1039/d4sc03460k","","x-ray","1.54184","CuKα","","0.09","0.0701","","","0.2011","0.2191","","","","","","1.035","","","","has coordinates,has disorder","295757","2024-11-04","11:25:02",""
"1573026","14.1161","0.0002","12.9639","0.0002","14.5367","0.0002","90","","103.95","0.001","90","","2581.75","0.07","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C116 H136 N8 O8 -","4","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0436","0.0387","","","0.1004","0.1042","","","","","","1.062","","","","has coordinates","295758","2024-11-04","11:27:01",""
"1573027","9.61","0.0002","9.7457","0.0002","15.681","0.0003","95.477","0.001","94.558","0.001","109.67","0.002","1366.82","0.05","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N2 O2 -","- C33 H34 N2 O2 -","- C66 H68 N4 O4 -","2","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0397","0.0361","","","0.0915","0.0944","","","","","","1.061","","","","has coordinates","295758","2024-11-04","11:27:06",""
"1573028","10.9149","0.0001","20.5392","0.0002","11.4675","0.0001","90","","103.434","0.001","90","","2500.48","0.04","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C120 H120 N8 O8 -","4","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0407","0.036","","","0.0929","0.096","","","","","","1.062","","","","has coordinates","295758","2024-11-04","11:27:08",""
"1573029","21.3491","0.0003","9.9395","0.0001","22.8671","0.0003","90","","90","","90","","4852.38","0.11","150","0.2","150","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Br N2 O2 -","- C29 H27 Br N2 O2 -","- C232 H216 Br8 N16 O16 -","8","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0426","0.0378","","","0.0912","0.093","","","","","","1.193","","","","has coordinates","295758","2024-11-04","11:27:08",""
"1573030","10.2249","0.0003","12.0964","0.0003","22.9051","0.0004","85.525","0.002","78.49","0.002","68.897","0.003","2589.8","0.12","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C116 H136 N8 O8 -","4","2","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0399","0.0351","","","0.0857","0.0905","","","","","","1.043","","","","has coordinates","295758","2024-11-04","11:27:09",""
"1573031","13.4362","0.0002","20.4573","0.0003","20.6327","0.0003","108.908","0.001","102.909","0.001","97.883","0.001","5092.84","0.14","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 I N2 O2 -","- C27 H29 I N2 O2 -","- C216 H232 I8 N16 O16 -","8","4","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.03","0.0246","","","0.0673","0.0701","","","","","","1.075","","","","has coordinates,has disorder","295758","2024-11-04","11:27:09",""
"1573039","11.454","0.0002","11.5998","0.0002","15.4489","0.0003","90","","90","","90","","2052.6","0.06","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 N2 O4 Os -","- C18 H36 N2 O4 Os -","- C72 H144 N8 O16 Os4 -","4","1","","Summersgill, Matthew D.; Gahan, Lawrence R.; Chow, Sharon; Pierens, Gregory K.; Bernhardt, Paul V.; Krenske, Elizabeth H.; Williams, Craig M.","Hyperstable alkenes: are they remarkably unreactive?","Chemical science","2024","15","46","19299","19306","10.1039/d4sc06697a","","x-ray","1.54184","CuKα","","0.0397","0.0384","","","0.0953","0.0965","","","","","","1.048","","","","has coordinates,has disorder","296414","2024-12-06","16:50:36",""
"1573040","14.241","0.003","13.816","0.002","22.522","0.004","90","","90","","90","","4431.3","1.4","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H40 N2 O5 Os -","- C19 H40 N2 O5 Os -","- C152 H320 N16 O40 Os8 -","8","1","","Summersgill, Matthew D.; Gahan, Lawrence R.; Chow, Sharon; Pierens, Gregory K.; Bernhardt, Paul V.; Krenske, Elizabeth H.; Williams, Craig M.","Hyperstable alkenes: are they remarkably unreactive?","Chemical science","2024","15","46","19299","19306","10.1039/d4sc06697a","","x-ray","1.54178","CuKα","","0.0536","0.0474","","","0.1317","0.1382","","","","","","1.057","","","","has coordinates,has disorder","296414","2024-12-06","16:50:37",""
"1573041","11.83321","0.0001","6.75791","0.00005","14.58577","0.00012","90","","106.275","0.0009","90","","1119.65","0.016","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Whalley, David M.; Carlino, Luca; Putra, Okky Dwichandra; Anderson, Niall A.; Coote, Susannah C.; Lorthioir, Olivier","Merging nucleophilic phosphine catalysis and photocatalysis for the rapid assembly of 2-oxabicyclo-[2.1.1]hexane scaffolds from feedstock allyl alcohols.","Chemical science","2024","15","46","19564","19570","10.1039/d4sc06684g","","x-ray","1.54184","CuKα","","0.0339","0.0332","","","0.08","0.0804","","","","","","1.051","","","","has coordinates","296419","2024-12-06","16:52:51",""
"1573042","5.72327","0.00003","7.75796","0.00005","24.60196","0.00014","90","","90","","90","","1092.35","0.011","100","0.1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Whalley, David M.; Carlino, Luca; Putra, Okky Dwichandra; Anderson, Niall A.; Coote, Susannah C.; Lorthioir, Olivier","Merging nucleophilic phosphine catalysis and photocatalysis for the rapid assembly of 2-oxabicyclo-[2.1.1]hexane scaffolds from feedstock allyl alcohols.","Chemical science","2024","15","46","19564","19570","10.1039/d4sc06684g","","x-ray","1.54184","CuKα","","0.0247","0.0245","","","0.0624","0.0626","","","","","","1.061","","","","has coordinates","296419","2024-12-06","16:52:55",""
"1573043","9.0906","0.0008","9.1054","0.0005","9.2735","0.0005","62.149","0.006","61.589","0.007","65.472","0.007","578.3","0.08","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 N4 -","- C28 H36 N4 -","- C28 H36 N4 -","1","0.5","","Sun, Yuhua; Kitahara, Riku; Ichino, Tomoya; Ide, Yuki; Senboku, Hisanori; Shimizu, Soji; Tanaka, Takayuki; Inokuma, Yasuhide","Cyclo[4]pyrrole with <i>α</i>-<i>β</i> direct linkages.","Chemical science","2024","15","46","19571","19576","10.1039/d4sc06670g","","x-ray","0.71073","MoKα","","0.0435","0.0407","","","0.1015","0.1035","","","","","","1.039","","","","has coordinates","296410","2024-12-06","16:48:34",""
"1573044","12.813","0.0005","13.3344","0.0005","14.2787","0.0006","90","","91.632","0.004","90","","2438.58","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 N3 O2 -","- C28 H37 N3 O2 -","- C112 H148 N12 O8 -","4","1","","Sun, Yuhua; Kitahara, Riku; Ichino, Tomoya; Ide, Yuki; Senboku, Hisanori; Shimizu, Soji; Tanaka, Takayuki; Inokuma, Yasuhide","Cyclo[4]pyrrole with <i>α</i>-<i>β</i> direct linkages.","Chemical science","2024","15","46","19571","19576","10.1039/d4sc06670g","","x-ray","0.71073","MoKα","","0.0514","0.0433","","","0.1144","0.1184","","","","","","1.062","","","","has coordinates","296410","2024-12-06","16:48:36",""
"1573054","27.4244","0.0004","13.2628","0.0002","16.687","0.0002","90","","121.774","0.001","90","","5159.85","0.14","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","Glucose-BPAT","","- C54 H62.56 Cl2 N6 O15.82 -","- C54 H62.56 Cl2 N6 O15.815 -","- C216 H250.24 Cl8 N24 O63.26 -","4","1","","Zhai, Canjia; Zulueta, Ethan Cross; Mariscal, Alexander; Xu, Chengkai; Cui, Yunpeng; Wang, Xudong; Wu, Huang; Doan, Carson; Wojtas, Lukasz; Zhang, Haixin; Cai, Jianfeng; Ye, Libin; Wang, Kun; Liu, Wenqi","From small changes to big gains: pyridinium-based tetralactam macrocycle for enhanced sugar recognition in water.","Chemical science","2024","15","46","19588","19598","10.1039/d4sc06190j","","x-ray","1.54178","CuKα","","0.0423","0.0404","","","0.1129","0.1147","","","","","","1.05","","","","has coordinates,has disorder","296408","2024-12-06","16:48:05",""
"1573055","9.65444","0.00008","11.52287","0.0001","25.33694","0.00019","90","","90","","90","","2818.65","0.04","172.99","0.1","172.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Br N O7 S -","- C29 H32 Br N O7 S -","- C116 H128 Br4 N4 O28 S4 -","4","1","","Yang, Gongming; Liu, Shangde; Ji, Shujie; Wu, Xingsen; Wang, Jian","Pd/NHC sequentially catalyzed atroposelective synthesis of planar-chiral macrocycles.","Chemical science","2024","15","46","19599","19603","10.1039/d4sc05482b","","x-ray","1.54184","CuKα","","0.0448","0.0447","","","0.1203","0.1204","","","","","","1.082","","","","has coordinates","296407","2024-12-06","16:47:48",""
"1573056","6.7432","0.0002","24.8499","0.0009","31.0273","0.0011","90","","90","","90","","5199.2","0.3","200","","200","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C23 H20 O6 Y -","- C23 H20 O6 Y -","- C184 H160 O48 Y8 -","8","0.5","","Ma, Lu-Lu; Zolotarev, Pavel N.; Zhou, Kang; Zhou, Xin; Liu, Jiaqi; Miao, Jiafeng; Li, Shenfang; Yang, Guo-Ping; Wang, Yao-Yu; Proserpio, Davide M.; Li, Jing; Wang, Hao","Three in one: engineering MOF channels <i>via</i> coordinated water arrays for regulated separation of alkanes and alkenes.","Chemical science","2024","15","46","19556","19563","10.1039/d4sc05286b","","","0.71073","MoKα","","0.0558","0.0392","","","0.0951","0.1032","","","","","","1.045","","","","has coordinates,has disorder","296421","2024-12-06","16:53:18",""
"1573057","6.7374","0.0007","24.87","0.003","30.881","0.004","90","","90","","90","","5174.4","1.1","253","","253","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C23 H20 O6 Y -","- C23 H20 O6 Y -","- C184 H160 O48 Y8 -","8","0.5","","Ma, Lu-Lu; Zolotarev, Pavel N.; Zhou, Kang; Zhou, Xin; Liu, Jiaqi; Miao, Jiafeng; Li, Shenfang; Yang, Guo-Ping; Wang, Yao-Yu; Proserpio, Davide M.; Li, Jing; Wang, Hao","Three in one: engineering MOF channels <i>via</i> coordinated water arrays for regulated separation of alkanes and alkenes.","Chemical science","2024","15","46","19556","19563","10.1039/d4sc05286b","","","1.54178","CuKα","","0.1308","0.0982","","","0.2399","0.2661","","","","","","1.01","","","","has coordinates,has disorder","296421","2024-12-06","16:53:19",""
"1573058","10.8789","0.0015","7.2613","0.0008","10.8143","0.0013","90","","108.529","0.013","90","","809.99","0.18","292.15","","292.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br Ga O7 Te3 -","- Br Ga O7 Te3 -","- Br4 Ga4 O28 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0378","0.0267","","","0.0448","0.0497","","","","","","1.03","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573059","16.0138","0.0004","7.0036","0.0002","8.4023","0.0002","90","","90","","90","","942.35","0.04","297.99","0.1","298.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Br Ga2 O9 Te3 -","- Br Ga2 O9 Te3 -","- Br4 Ga8 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0254","0.0247","","","0.0583","0.0586","","","","","","1.11","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573060","15.7796","0.0005","6.8824","0.0002","8.2042","0.0002","90","","90","","90","","890.99","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Al2 Br O9 Te3 -","- Al2 Br O9 Te3 -","- Al8 Br4 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0217","0.0213","","","0.0517","0.0519","","","","","","1.063","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573061","15.7196","0.0012","6.9503","0.0007","8.354","0.0008","90","","90","","90","","912.72","0.14","294.15","","294.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cl Ga2 O9 Te3 -","- Cl Ga2 O9 Te3 -","- Cl4 Ga8 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0281","0.0273","","","0.0654","0.0658","","","","","","1.197","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573062","15.5617","0.0014","6.8243","0.0007","8.1594","0.0008","90","","90","","90","","866.51","0.15","293.08","0.1","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Al2 Cl O9 Te3 -","- Al2 Cl O9 Te3 -","- Al8 Cl4 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0325","0.0293","","","0.092","0.0954","","","","","","0.97","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573063","15.8664","0.0014","6.9672","0.0006","8.3796","0.0007","90","","90","","90","","926.32","0.14","292.15","","292.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- Br0.5 Cl0.5 Ga2 O9 Te3 -","- Br0.5 Cl0.5 Ga2 O9 Te3 -","- Br2 Cl2 Ga8 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0282","0.0273","","","0.0617","0.0627","","","","","","1.0342","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573064","9.7354","0.0002","15.3138","0.0002","9.9359","0.0002","90","","105.393","0.002","90","","1428.17","0.05","100.01","0.15","100.01","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh","Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.","Chemical science","2024","15","47","19851","19857","10.1039/d4sc04361h","","x-ray","1.54184","CuKα","","0.0408","0.0376","","","0.0999","0.1028","","","","","","1.057","","","","has coordinates","296342","2024-12-06","15:50:54",""
"1573065","13.1948","0.0003","4.7605","0.0001","14.5444","0.0004","90","","102.504","0.003","90","","891.92","0.04","99.98","0.11","99.98","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 I O5 -","- C18 H21 I O5 -","- C36 H42 I2 O10 -","2","1","","Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh","Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.","Chemical science","2024","15","47","19851","19857","10.1039/d4sc04361h","","x-ray","1.54184","CuKα","","0.0323","0.0309","","","0.0764","0.0774","","","","","","1.079","","","","has coordinates","296342","2024-12-06","15:50:55",""
"1573066","11.5497","0.0002","13.3748","0.0003","19.9348","0.0003","90","","101.134","0.002","90","","3021.47","0.1","100","0.16","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 O6 -","- C36 H40 N2 O6 -","- C144 H160 N8 O24 -","4","1","","Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh","Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.","Chemical science","2024","15","47","19851","19857","10.1039/d4sc04361h","","","1.54184","CuKα","","0.0662","0.0535","","","0.1481","0.1595","","","","","","1.046","","","","has coordinates","296342","2024-12-06","15:50:55",""
"1573067","13.88904","0.00006","26.07802","0.00012","20.16258","0.00009","90","","92.9187","0.0004","90","","7293.39","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 B N4 O2 Zn -","- C36 H51 B N4 O2 Zn -","- C288 H408 B8 N32 O16 Zn8 -","8","2","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.044","0.0386","","","0.1089","0.1124","","","","","","1.079","","","","has coordinates","296411","2024-12-06","16:49:22",""
"1573068","8.6093","0.0001","29.1368","0.0003","14.2475","0.0002","90","","91.376","0.001","90","","3572.92","0.07","149.98","0.16","149.98","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 I N4 Zn -","- C30 H39 I N4 Zn -","- C120 H156 I4 N16 Zn4 -","4","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0286","0.025","","","0.0606","0.0622","","","","","","1.039","","","","has coordinates","296411","2024-12-06","16:49:23",""
"1573069","16.1404","0.0002","15.1592","0.0001","19.0592","0.0002","90","","101.428","0.001","90","","4570.87","0.08","149.98","0.11","149.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H65 B N4 O Zn -","- C49 H65 B N4 O Zn -","- C196 H260 B4 N16 O4 Zn4 -","4","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0392","0.0319","","","0.0863","0.0921","","","","","","1.033","","","","has coordinates,has disorder","296411","2024-12-06","16:49:23",""
"1573070","21.7767","0.0002","10.9167","0.0001","36.1028","0.0004","90","","90","","90","","8582.71","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H58 N4 Zn2 -","- C46 H58 N4 Zn2 -","- C368 H464 N32 Zn16 -","8","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0918","0.0803","","","0.1783","0.1829","","","","","","1.162","","","","has coordinates","296411","2024-12-06","16:49:23",""
"1573071","14.94854","0.00006","11.8092","0.00005","16.28848","0.00006","90","","91.313","0.0004","90","","2874.66","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 B2 N4 O6 Zn2 -","- C58 H82 B2 N4 O6 Zn2 -","- C116 H164 B4 N8 O12 Zn4 -","2","0.5","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.0858","0.0864","","","","","","1.095","","","","has coordinates,has disorder","296411","2024-12-06","16:49:23",""
"1573073","43.754","0.011","9.85","0.003","17.372","0.005","90","","95.708","0.016","90","","7450","4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H55 Br N O P -","- C43 H55 Br N O P -","- C344 H440 Br8 N8 O8 P8 -","8","1","","Qu, Hao-Ting; Partanen, Iida; Chang, Kai-Hsin; Lin, Yan-Ding; Koshevoy, Igor O.; Belyaev, Andrey; Chou, Pi-Tai","Insights into the photoinduced anion translocation of donor-π-acceptor<sup>+</sup> (ion)<sup>-</sup> molecules.","Chemical science","2024","15","47","20045","20055","10.1039/d4sc04738a","","","0.71073","MoKα","","0.0867","0.045","","","0.0847","0.0967","","","","","","0.983","","","","has coordinates","296443","2024-12-06","17:18:49",""
"1573074","7.7696","0.0004","15.7256","0.0008","19.9214","0.001","97.434","0.002","92.683","0.002","90.008","0.002","2410.9","0.2","170","","170","","","","","","","","","5","P 1","P 1","1","","8","","- C19 H14 N4 O2 S4 -","- C19 H14 N4 O2 S4 -","- C76 H56 N16 O8 S16 -","4","4","","Zhang, Guanlun; Wu, Xu; Mao, Shiyu; Li, Mengqi; Hu, Honglong; Shi, Bing-Feng; Zhu, Wei-Hong","Pd(ii)-catalyzed enantioselective C-H olefination and photoregulation of sterically hindered diarylethenes.","Chemical science","2024","15","47","20013","20021","10.1039/d4sc05375c","","","1.34139","GaKα","","0.0936","0.0665","","","0.1691","0.189","","","","","","1.037","","","","has coordinates","296343","2024-12-06","15:51:21",""
"1573075","9.8157","0.0002","11.2682","0.0003","14.0489","0.0004","102.996","0.001","101.657","0.001","114.452","0.001","1299.74","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","(4-benzoyl-11-bromo-3-phenyl-3,4-dihydro-2H-1,3-methanopyridazino[6,1-a]isoquinolin-1(11bH)-yl)(1-methyl-1H-imidazol-2-yl)methanone","","- C31 H25 Br N4 O2 -","- C31 H26 Br N4 O2 -","- C62 H52 Br2 N8 O4 -","2","1","","Yang, Xue-Chun; Wu, Feng; Wu, Wen-Biao; Zhang, Xu; Feng, Jian-Jun","Enantioselective dearomative formal (3+3) cycloadditions of bicyclobutanes with aromatic azomethine imines: access to fused 2,3-diazabicyclo[3.1.1]heptanes.","Chemical science","2024","15","46","19488","19495","10.1039/d4sc06334a","","","1.54178","CuKα","","0.0252","0.0242","","","0.0623","0.0626","","","","","","1.053","","","","has coordinates","296422","2024-12-06","16:53:35",""
"1573076","10.8729","0.0002","12.8772","0.0001","10.9786","0.0002","90","","112.161","0.002","90","","1423.59","0.04","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-(9-bromo-1-(1-methyl-1H-imidazole-2-carbonyl)-3-phenyl-1,2,3,11b-tetrahydro-4H-1,3-methanopyridazino[6,1-a]isoquinolin-4-yl)(4-(trifluoromethyl)phenyl)methanone","","- C32 H24 Br F3 N4 O2 -","- C32 H24 Br F3 N4 O2 -","- C64 H48 Br2 F6 N8 O4 -","2","1","","Yang, Xue-Chun; Wu, Feng; Wu, Wen-Biao; Zhang, Xu; Feng, Jian-Jun","Enantioselective dearomative formal (3+3) cycloadditions of bicyclobutanes with aromatic azomethine imines: access to fused 2,3-diazabicyclo[3.1.1]heptanes.","Chemical science","2024","15","46","19488","19495","10.1039/d4sc06334a","","x-ray","1.54184","CuKα","","0.0334","0.0322","","","0.0822","0.0842","","","","","","1.088","","","","has coordinates","296422","2024-12-06","16:53:37",""
"1573084","27.9576","0.0001","27.9576","0.0001","15.5123","0.0001","90","","90","","90","","12124.8","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C57 H78 N4 O P2 -","- C57 H78 N4 O P2 -","- C456 H624 N32 O8 P16 -","8","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0342","0.033","","","0.0896","0.0904","","","","","","1.068","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573085","15.1737","0.0002","20.6058","0.0002","20.9842","0.0003","90","","90","","90","","6561.05","0.14","155","8","155","8","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H99 N5 O P2 Si2 -","- C64 H99 N5 O P2 Si2 -","- C256 H396 N20 O4 P8 Si8 -","4","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.046","0.0436","","","0.114","0.1172","","","","","","1.046","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573086","10.51","0.0002","18.2431","0.0003","30.1703","0.0007","90","","90","","90","","5784.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H82 N4 O P2 -","- C63 H82 N4 O P2 -","- C252 H328 N16 O4 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0893","0.0708","","","0.1789","0.1909","","","","","","1.049","","","","has coordinates,has disorder","296347","2024-12-06","16:15:01",""
"1573087","13.0834","0.0002","13.3184","0.0002","20.9406","0.0003","79.701","0.001","86.771","0.001","80.675","0.001","3541.26","0.09","149.9","0.6","149.9","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C73 H93 F6 N4 O3 P2 S -","- C73 H93 F6 N4 O3 P2 S -","- C146 H186 F12 N8 O6 P4 S2 -","2","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0652","0.0587","","","0.1671","0.1743","","","","","","1.038","","","","has coordinates,has disorder","296347","2024-12-06","16:15:01",""
"1573088","18.5772","0.0002","16.1173","0.0002","21.8954","0.0002","90","","99.61","0.001","90","","6463.8","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H99 N5 O2 P2 Si -","- C66 H99 N5 O2 P2 Si -","- C264 H396 N20 O8 P8 Si4 -","4","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0346","0.0319","","","0.0794","0.0809","","","","","","1.038","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573089","12.0896","0.0006","16.0159","0.0008","21.5597","0.0011","98.712","0.002","103.862","0.002","98.212","0.002","3935.8","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C69 H100 F K N5 O P2 Si2 -","- C69 H100 F K N5 O P2 Si2 -","- C138 H200 F2 K2 N10 O2 P4 Si4 -","2","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","","1.34138","GaKα","","0.0636","0.0459","","","0.1243","0.136","","","","","","1.079","","","","has coordinates,has disorder","296347","2024-12-06","16:15:01",""
"1573090","27.6579","0.0004","15.0908","0.0002","57.5737","0.0009","90","","97.571","0.002","90","","23820.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C114 H156 N8 O2 P4 -","- C114 H156 N8 O2 P4 -","- C912 H1248 N64 O16 P32 -","8","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0652","0.0529","","","0.1312","0.1423","","","","","","1.078","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573158","16.918","0.0003","18.7743","0.0003","18.7972","0.0003","119.575","0.002","100.097","0.001","91.79","0.001","5063.55","0.18","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C196 H164 Cs2 N2 O92 Ti14 -","- C184 H140 Cs2 N2 O88 Ti14 -","- C184 H140 Cs2 N2 O88 Ti14 -","1","0.5","","Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Chu, Menghui; Gao, Fangfang; Chen, Guanjie; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Guest modulating the photoactivity of a titanium-oxide cage.","Chemical science","2024","15","47","19952","19961","10.1039/d4sc04983g","","","1.54184","CuKα","","0.0583","0.0479","","","0.1242","0.1304","","","","","","1.041","","","","has coordinates","296345","2024-12-06","15:58:04",""
"1573159","16.8649","0.0004","18.7159","0.0004","18.7422","0.0005","119.555","0.002","100.296","0.002","91.512","0.002","5017.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C196 H172 N4 O92 Ti14 -","- C178 H136 N4 O86 Ti14 -","- C178 H136 N4 O86 Ti14 -","1","0.5","","Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Chu, Menghui; Gao, Fangfang; Chen, Guanjie; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Guest modulating the photoactivity of a titanium-oxide cage.","Chemical science","2024","15","47","19952","19961","10.1039/d4sc04983g","","","1.54184","CuKα","","0.0762","0.0607","","","0.1611","0.1688","","","","","","1.088","","","","has coordinates","296345","2024-12-06","15:58:04",""
"1573213","3.9971","0.0001","7.0195","0.0002","40.9871","0.001","90","","90","","90","","1150","0.05","298","2","297.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Br N O2 S -","- C10 H8 Br N O2 S -","- C40 H32 Br4 N4 O8 S4 -","4","1","","Chen, Ci; Zhang, Qiaoya; Huang, Zhiwei; Ouyang, Wensen; Gao, Yang; Luo, Jiye; Liu, Yuan; Huo, Yanping; Chen, Qian; Li, Xianwei","Ru(ii)-catalyzed regioselective oxidative Heck reaction with internal olefins that tolerated strongly coordinating heterocycles.","Chemical science","2024","15","47","20064","20072","10.1039/d4sc07036d","","","0.71073","MoKα","","0.036","0.0317","","","0.0786","0.0805","","","","","","1.031","","","","has coordinates","296344","2024-12-06","15:52:08",""
"2300528","4.083","","7.043","","11.219","","90","","90","","90","","322.62","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","Ag S C N","","- C Ag N S -","- C Ag N S -","- C4 Ag4 N4 S4 -","4","0.5","","Smith, D.L.; Maskasky, J.E.; Spaulding, L.R.","Polymorphism in silver thiocyanate. Preparation of a new phase and its characterization by X-ray powder diffraction","Journal of Applied Crystallography","1982","15","","488","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300554","6.2001","","6.2001","","6.2001","","90","","90","","90","","238.34","","","","","","","","","","","","","2","I 4 3 2","I 4 2 3","211","","","","- Hg4 Pt -","- Hg4 Pt -","- Hg8 Pt2 -","2","0.0416667","","Lahiri, S.K.; Angilello, J.; Natan, M.","Precise lattice parameter determination of Pt Hg4","Journal of Applied Crystallography","1982","15","","100","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310010","5.103","","5.343","","6.901","","104.76","","100.42","","100.08","","174.045","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H4 F N O -","- C2 H4 F N O -","- C4 H8 F2 N2 O2 -","2","1","","D. O. Hughes; R. W. H. Small","The Crystal and Molecular Structure of Monofluoroacetamide","Acta Crystallographica","1962","15","","933","940","10.1107/S0365110X62002480","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310090","2.9","","2.9","","7.478","","90","","90","","120","","54.464","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Re B2","","- B2 Re -","- B2 Re -","- B4 Re2 -","2","0.0833333","","Post, B.; la Placa, S.J.","The crystal structure of rhenium diboride","Acta Crystallographica (1,1948-23,1967)","1962","15","","97","99","10.1107/S0365110X62000298","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310128","6.075","","6.075","","6.075","","102.93","","102.93","","102.93","","203.936","","","","","","","","","","","","","4","R 3 2 :R","P 3* 2","155","","Trimagnesium Calcium Carbonate","Huntite","- C4 Ca Mg3 O12 -","- C4 Ca Mg3 O12 -","- C4 Ca Mg3 O12 -","1","0.166667","","Graf, D.L.; Bradley, W.F.","The crystal structure of huntite, Mg3 Ca (C O3)4","Acta Crystallographica","1962","15","","238","242","10.1107/S0365110X62000584","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310171","13.483","","7.6626","","5.134","","90","","127.78","","90","","419.226","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Mn Zn13 -","- Mn Zn13 -","- Mn2 Zn26 -","2","0.25","","Brown, P.J.","The structure of the zeta-phase in the transition metal- zinc alloy systems","Acta Crystallographica (1,1948-23,1967)","1962","15","","608","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310172","13.424","","7.608","","5.061","","90","","127.3","","90","","411.163","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Fe Zn13 -","- Fe Zn13 -","- Fe2 Zn26 -","2","0.25","","Brown, P.J.","The structure of the zeta-phase in the transition metal-zinc alloy systems","Acta Crystallographica (1,1948-23,1967)","1962","15","","608","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310219","3.268","","9.937","","4.101","","90","","90","","90","","133.176","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ni Zr -","- Ni Zr -","- Ni4 Zr4 -","4","0.25","","Kirkpatrick, M.E.; Bailey, D.M.; Smith, J.F.","The structures of Ni Zr2, Ni Zr and their hafnium analogs","Acta Crystallographica (1,1948-23,1967)","1962","15","","252","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310220","6.477","","6.477","","5.241","","90","","90","","90","","219.868","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ni Zr2 -","- Ni Zr2 -","- Ni4 Zr8 -","4","0.125","","Kirkpatrick, M.E.; Smith, J.F.; Bailey, D.M.","The structures of Ni Zr2, Ni Zr and their hafnium analogs","Acta Crystallographica (1,1948-23,1967)","1962","15","","252","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310221","9.211","","9.156","","12.386","","90","","90","","90","","1044.58","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","","","Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.","Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7","Acta Crystallographica (1,1948-23,1967)","1962","15","","894","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310222","12.497","","9.21","","9.325","","90","","90","","90","","1073.28","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","0.5","","Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.","Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7","Acta Crystallographica (1,1948-23,1967)","1962","15","","894","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310277","13.306","","7.535","","4.992","","90","","126.78","","90","","400.872","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co Zn13 -","- Co Zn13 -","- Co2 Zn26 -","2","0.25","","Brown, P.J.","The structure of the zeta-phase in the transition metal-zinc alloy system","Acta Crystallographica (1,1948-23,1967)","1962","15","","608","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310288","4.762","","4.762","","25.615","","90","","90","","120","","503.041","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co7 Mo6 -","- Co7 Mo6 -","- Co21 Mo18 -","3","0.0833333","","Forsyth, J.B.; D'Alte da Veiga, L.M.","The structure of the mue-phase Co7 Mo6","Acta Crystallographica (1,1948-23,1967)","1962","15","","543","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310302","9.587","","9.587","","21.825","","90","","90","","120","","1737.2","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ce24 Co11 -","- Ce24 Co11 -","- Ce48 Co22 -","2","0.166667","","Larson, A.C.; Cromer, D.T.","The crystal structure of Ce24 Co11","Acta Crystallographica (1,1948-23,1967)","1962","15","","1224","1227","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310342","13.46","","4.92","","13.86","","90","","109.5","","90","","865.207","","","","","","","","","","","","","1","C 1 2/c 1","-C 2yc","15","","Sn F2","","- Sn -","- Sn -","- Sn16 -","16","2","","Bergerhoff, G.","Zur Kristallstruktur des Zinn-II-fluorides","Acta Crystallographica (1,1948-23,1967)","1962","15","5","509","509","10.1107/S0365110X62001255","","","","","","","","","","","","","","","","","","","","","has coordinates","279512","2022-11-23","14:59:13",""
"2310365","6.421","","6.421","","5.183","","90","","90","","120","","185.062","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sc3 In","","- In Sc3 -","- In Sc3 -","- In2 Sc6 -","2","0.0833333","","Compton, V.B.; Matthias, B.T.","The crystal structure of Sc3 In","Acta Crystallographica (1,1948-23,1967)","1962","15","","94","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310585","10.8","","6.71","","4.79","","90","","90","","90","","347.122","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu (I O3) (O H)","","- Cu H I O4 -","- Cu I O4 -","- Cu4 I4 O16 -","4","0.5","","Ghose, S.","The crystal structure of salesite, Cu I O3 (O H)","Acta Crystallographica (1,1948-23,1967)","1962","15","","1105","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310889","4.546","","4.546","","11.862","","90","","90","","120","","212.299","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Cucka, P.; Barrett, C.S.","The crystal structure of Bi and of solid solutions of Pb, Sn, Sb and Te in Bi","Acta Crystallographica (1,1948-23,1967)","1962","15","","865","872","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311037","11.79","","4.1","","14.59","","90","","90","","90","","705.266","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Iitaka, Y.; Nowacki, W.","A redetermination of the crystal structure of galenobismutite, Pb Bi2 S4","Acta Crystallographica (1,1948-23,1967)","1962","15","","691","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4000233","12.801","0.002","9.3375","0.0014","6.5081","0.001","90","","90","","90","","777.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 Cr F3 N2 O3 P -","- C2 H11 Cr F3 N2 O3 P -","- C8 H44 Cr4 F12 N8 O12 P4 -","4","1","","Fernández, Sergio; Mesa, José L.; Pizarro, José L.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Hydrothermal Synthesis, Crystal Structures, Spectroscopic, and Magnetic Properties of Two New Organically Templated Monodimensional Phosphite Compounds: (C2H10N2)[M(HPO3)F3], M = V(III) and Cr(III)}","Chemistry of Materials","2003","15","5","1204","1209","10.1021/cm021361b","","","0.71073","mokα","","0.0885","0.0566","","","0.117","0.1274","","","","","","0.879","","","","has coordinates","270059","2021-10-23","02:40:01",""
"4000234","12.809","0.002","9.518","0.0014","6.4403","0.0013","90","","90","","90","","785.2","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 F3 N2 O3 P V -","- C2 H11 F3 N2 O3 P V -","- C8 H44 F12 N8 O12 P4 V4 -","4","1","","Fernández, Sergio; Mesa, José L.; Pizarro, José L.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Hydrothermal Synthesis, Crystal Structures, Spectroscopic, and Magnetic Properties of Two New Organically Templated Monodimensional Phosphite Compounds: (C2H10N2)[M(HPO3)F3], M = V(III) and Cr(III)}","Chemistry of Materials","2003","15","5","1204","1209","10.1021/cm021361b","","x-ray","0.71073","MoKα","","0.1695","0.0603","","","0.1064","0.1262","","","","","","0.856","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000270","6.465","0.001","15.571","0.003","10.656","0.002","90","","90.24","0.03","90","","1072.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B5 Ce H7 N O15 -","- B5 Ce N O15 -","- B20 Ce4 N4 O60 -","4","1","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","","","0.71073","MoKα","","0.0635","0.0557","","","0.1282","0.131","","","","","","1.038","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000271","9.871","0.002","16.696","0.003","7.716","0.002","90","","90.12","0.03","90","","1271.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B9 H6 Nd O18 -","- B9 Nd O18 -","- B36 Nd4 O72 -","4","1","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","","","0.71073","MoKα","","0.0313","0.0235","","","0.0563","0.0579","","","","","","0.846","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000272","6.4418","0.00014","11.68883","0.00026","8.17062","0.00018","90","","105.167","0.0008","90","","593.79","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B5 La O9 -","- B20 La4 O36 -","- B20 La4 O36 -","","","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","powder diffraction","","","","","","","","","","","","","2.31","","","","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000273","9.86","0.002","14.131","0.003","7.94","0.002","90","","89.79","0.03","90","","1106.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B8 H5 O16 Pr -","- B8 O16 Pr -","- B32 O64 Pr4 -","4","1","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","","","0.71073","MoKα","","0.0498","0.0412","","","0.1099","0.1134","","","","","","1.051","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000278","13.702","0.001","16.163","0.002","13.893","0.001","90","","90.39","0.01","90","","3076.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 O6 W -","- C36 H30 O6 W -","- C144 H120 O24 W4 -","4","1","","Cross, Warren B.; Parkin, Ivan P.; O'Neill, Shane A.; Williams, Paul A.; Mahon, Mary F.; Molloy, Kieran C.","Tungsten Oxide Coatings from the Aerosol-Assisted Chemical Vapor Deposition of W(OAr)6 (Ar = C6H5, C6H4F-4, C6H3F2-3,4); Photocatalytically Active γ-WO3 Films","Chemistry of Materials","2003","15","14","2786","2796","10.1021/cm020390j","","","0.71069","","","0.0889","0.0392","","0.1254","0.0952","","","","1.014","0.989","0.989","","","","","has coordinates","275258","2022-05-09","03:14:07",""
"4000300","9.4111","0.0015","9.1066","0.0015","9.695","0.0015","90","","117.272","0.003","90","","738.5","0.2","173","2","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","02189a","","","- C H7 N O8 P2 Sc -","- C H7 N O8 P2 Sc -","- C4 H28 N4 O32 P8 Sc4 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","","","","0.0377","0.032","","","0.0854","0.0884","","","","","","1.081","","","","has coordinates","282548","2023-04-10","20:38:56",""
"4000301","5.3048","0.0011","8.823","0.0018","14.779","0.003","90","","95.685","0.005","90","","688.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H5 O9 P2 Sc -","- H5 O9 P2 Sc -","- H20 O36 P8 Sc4 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","0.71073","MoKα","","0.0584","0.0433","","","0.0927","0.0963","","","","","","0.977","","","","has coordinates","282537","2023-04-10","16:43:03",""
"4000302","5.4429","0.0008","10.2513","0.0015","8.9094","0.0011","90","","90.253","0.007","90","","497.11","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H4 O6 P Sc -","- O6 P Sc -","- O24 P4 Sc4 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks Locality: synthetic","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","0.6845","synchrotron","","0.0655","0.063","","","0.167","0.1697","","","","","","1.127","","","","has coordinates","282537","2023-04-10","16:43:03",""
"4000324","8.344","0.003","10.043","0.003","12.731","0.004","82.65","0.03","88.36","0.03","74.72","0.02","1020.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C50 H46 N6 O4 -","2","1","","Chiu, Ching-Wen; Chow, Tahsin J.; Chuen, Chang-Hao; Lin, Hsiu-Mei; Tao, Yu-Tai","Bisindolylmaleimides as Red Electroluminescence Materials","Chemistry of Materials","2003","15","23","4527","4532","10.1021/cm0303890","","x-ray","0.71073","MoKα","","0.1234","0.0597","","","0.1699","0.2097","","","","","","1.044","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000328","16.7705","0.0001","16.7705","0.0001","16.7705","0.0001","90","","90","","90","","4716.7","0.05","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C24 H118 Al6 Fe3 N16 O65 P12 -","- C24 Al6 Fe3 N16 O65 P12 -","- C48 Al12 Fe6 N32 O130 P24 -","2","0.0416667","","Beitone, Lionel; Loiseau, Thierry; Millange, Franck; Huguenard, Clarisse; Fink, Gerhard; Taulelle, Francis; Grenèche, Jean-Marc; Férey, Gérard","Tetrahedrally Coordinated Iron(II) Incorporation in the Super-Sodalite Aluminophosphate Fe~3~Al~6~(PO~4~)~12~·4tren·17H~2~O (MIL-74)","Chemistry of Materials","2003","15","24","4590","4597","10.1021/cm034535d","","","0.71073","MoKα","","0.0328","0.0327","","","0.0991","0.0993","","","","","","1.252","","","","has coordinates","178243","2020-10-21","18:00:00",""
"4000339","17.0426","0.0011","9.3703","0.0005","16.1975","0.0008","90","","96.894","0.003","90","","2567.9","0.2","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 B4 Cl2 N8 O34 P8 Zn4 -","- C24 H58 B4 Cl2 N8 O34 P8 Zn4 -","- C48 H116 B8 Cl4 N16 O68 P16 Zn8 -","2","0.5","","Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Borrmann, Horst; Cardoso Gil, Raul; Kniep, Rüdiger","(C6H14N2){Zn[ZnB2P4O15(OH)2]·(C6H13N2)Cl}: A new templated zincoborophosphate","Chemistry of Materials","2003","15","26","4930","4935","10.1021/cm0311224","","","0.71073","MoKα","","0.0879","0.064","","","0.1153","0.1229","","","","","","1.149","","","","has coordinates","198539","2020-10-21","18:00:00",""
"4001635","10.42002","0.00013","10.45229","0.00017","11.62209","0.00017","90","","90","","90","","1265.8","0.03","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 N O9 P2 Zn -","- C5 H15 N O9 P2 Zn -","- C20 H60 N4 O36 P8 Zn4 -","4","1","","Simon-Masseron, Angélique; Paillaud, Jean-Louis; Patarin, Joël","Mu-21: A Three-Dimensional Microporous Zincophosphate Obtained by Direct Synthesis and Reversible Dehydration of the Zincophosphate Mu-19","Chemistry of Materials","2003","15","4","1000","1005","10.1021/cm021330g","powder diffraction","x-ray","1.5406","","","","","","","","","0.05691","","2.52","","","","","","","has coordinates","218970","2020-10-21","18:00:00",""
"4001636","7.448","0.0005","7.448","","7.448","","90","","90","","90","","413.16","0.03","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu3 Ga2 O12 Sb2 -","- Ca Cu3 Ga2 O12 Sb2 -","- Ca2 Cu6 Ga4 O24 Sb4 -","2","0.0833333","","Byeon, Song-Ho; Lufaso, Michael W.; Parise, John B.; Woodward, Patrick M.; Hansen, Thomas","High-Pressure Synthesis and Characterization of Perovskites with Simultaneous Ordering of Both the A- and B-Site Cations, CaCu3Ga2M2O12(M = Sb, Ta)","Chemistry of Materials","2003","15","20","3798","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001637","7.46558","0.00016","7.46558","","7.46558","","90","","90","","90","","416.093","0.009","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu3 Ga2.02 O12 Ta2.02 -","- Ca Cu3 Ga2.02 O12 Ta2.02 -","- Ca2 Cu6 Ga4.04 O24 Ta4.04 -","2","0.0833333","","Byeon, Song-Ho; Lufaso, Michael W.; Parise, John B.; Woodward, Patrick M.; Hansen, Thomas","High-Pressure Synthesis and Characterization of Perovskites with Simultaneous Ordering of Both the A- and B-Site Cations, CaCu3Ga2M2O12(M = Sb, Ta)","Chemistry of Materials","2003","15","20","3798","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001638","19.72","0.002","8.9762","0.001","21.36","0.002","90","","102.607","0.002","90","","3689.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","01354","","","- C20 H44 B4 F16 Li4 O10 -","- C20 H44 B4 F15.96 Li4 O10 -","- C80 H176 B16 F63.84 Li16 O40 -","4","1","","Henderson, Wesley A.; Brooks, Neil R.; Young, Victor G.","Tetraglyme−Li+Cation Solvate Structures: Models for Amorphous Concentrated Liquid and Polymer Electrolytes (II)","Chemistry of Materials","2003","15","24","4685","","10.1021/cm034352r","","","0.71073","MoKα","","0.0635","0.042","","","0.1009","0.1145","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4001740","6.9501","","5.941","","8.1386","","90","","90","","90","","336.047","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (Cr B O4)","","- B Cr O4 Pb -","- B Cr O4 Pb -","- B4 Cr4 O16 Pb4 -","4","0.5","","Greedan, J.E.; Barbier, J.; Lam, R.; Park, H.","Synthesis, crystal structure, crystal chemistry and magnetic properties of Pb M B O4 (M = Cr, Mn, Fe): a new structure type exhibiting one-dimensional magnetism","Chemistry of Materials (1,1989-)","2003","15","","1703","1712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001746","6.702","","5.9226","","8.577","","90","","90","","90","","340.449","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb Mn O (B O3)","","- B Mn O4 Pb -","- B Mn O4 Pb -","- B4 Mn4 O16 Pb4 -","4","0.5","","Lam, R.; Barbier, J.; Park, H.; Greedan, J.E.","Synthesis, crystal structure, crystal chemistry and magnetic properties of Pb M B O4 (M = Cr, Mn, Fe): a new structure type exhibiting one-dimensional magnetism","Chemistry of Materials (1,1989-)","2003","15","","1703","1712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001747","6.885","","6.885","","6.87","","90","","90","","120","","282.03","","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Sr (B P O5)","","- B O5 P Sr -","- B O5 P Sr -","- B3 O15 P3 Sr3 -","3","0.5","","Zhang Guochun; Du Chenxia; Pan Shilie; Chen Chuangyan; Fu Peizhen; Wu Xicheng; Li Zhihua","Growth, structure and properties of single crystals of Sr B P O5","Chemistry of Materials (1,1989-)","2003","15","","2218","2221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001898","4.574","0.001","5.752","0.001","2.808","0.001","90","","90","","90","","73.88","0.03","","","","","","","","","","","","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","","Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Kawaguchi, Kenji; Dokko, Kaoru; Uchida, Isamu","Synthesis, crystal structure and magnetic property of delithiated Li~x~MnO~2~ (x < 0.1) single crystals: a novel disordered rocksalt-type manganese dioxide","Chemistry of Materials","2003","15","15","2984","2990","10.1021/cm034147b","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001899","4.095","0.003","4.095","0.003","4.095","0.003","90","","90","","90","","68.67","0.09","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lithium Manganese Oxide (0.05/0.96/2)","","- Li0.05 Mn0.96 O2 -","- Mn0.96 O2 -","- Mn1.92 O4 -","2","0.0104167","","Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Kawaguchi, Kenji; Dokko, Kaoru; Uchida, Isamu","Synthesis, crystal structure and magnetic property of delithiated Li~x~MnO~2~ (x < 0.1) single crystals: a novel disordered rocksalt-type manganese dioxide","Chemistry of Materials","2003","15","15","2984","2990","10.1021/cm034147b","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176334","2020-10-21","18:00:00",""
"4002454","10.36921","","10.36921","","37.1289","","90","","90","","120","","3457.28","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Fe D (P O4)7","","- Ca9 D Fe O28 P7 -","- Ca9 D0.999 Fe O28 P7 -","- Ca54 D5.994 Fe6 O168 P42 -","6","0.333333","","Belik, A.A.; Stefanovich, S.Yu.; Izumi, F.; Lazoryak, B.I.; Oikawa, K.","Chemical and structural properties of a whitlockite-like phosphate, Ca9 Fe D (P O4)7","Chemistry of Materials (1,1989-)","2003","15","","1399","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002455","10.3576","","10.3576","","37.1429","","90","","90","","120","","3450.84","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9.333 Fe1.167 (P O4)7","","- Ca9.333 Fe1.167 O28 P7 -","- Ca9.333 Fe1.167 O28 P7 -","- Ca55.998 Fe7.002 O168 P42 -","6","0.333333","","Belik, A.A.; Izumi, F.; Lazoryak, B.I.; Stefanovich, S.Yu.; Oikawa, K.","Chemical and structural properties of a whitlockite-like phosphate,Ca9 Fe D (P O4)7","Chemistry of Materials (1,1989-)","2003","15","","1399","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","156458","2020-10-21","18:00:00",""
"4002466","5.44301","","7.68546","","5.449","","90","","90","","90","","227.943","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.425 Pr0.2 Ca0.375) (Mn O3)","","- Ca0.375 La0.425 Mn O3 Pr0.2 -","- Ca0.375 La0.425 Mn O3 Pr0.2 -","- Ca1.5 La1.7 Mn4 O12 Pr0.8 -","4","0.5","","Collado, J.A.; Frontera, C.; Garcia-Munoz, J.L.; Ritter, C.; Aranda, M.A.G.; Brunelli, M.","Room temperature structural and microstructural study for the magneto-conducting La5/8-x Prx Ca3/8 Mn O3 (0 <= x <= 5/8) series","Chemistry of Materials (1,1989-)","2003","15","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002467","5.44105","","7.67594","","5.43977","","90","","90","","90","","227.193","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.275 Pr0.35 Ca0.375) (Mn O3)","","- Ca0.375 La0.275 Mn O3 Pr0.35 -","- Ca0.375 La0.275 Mn O3 Pr0.35 -","- Ca1.5 La1.1 Mn4 O12 Pr1.4 -","4","0.5","","Collado, J.A.; Garcia-Munoz, J.L.; Frontera, C.; Ritter, C.; Aranda, M.A.G.; Brunelli, M.","Room temperature structural and microstructural study for the magneto-conducting La5/8-x Prx Ca3/8 Mn O3 (0 <= x <= 5/8) series","Chemistry of Materials (1,1989-)","2003","15","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002468","5.44282","","7.65475","","5.4209","","90","","90","","90","","225.853","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.625 Ca0.375) (Mn O3)","","- Ca0.375 Mn O3 Pr0.625 -","- Ca0.375 Mn O3 Pr0.625 -","- Ca1.5 Mn4 O12 Pr2.5 -","4","0.5","","Collado, J.A.; Frontera, C.; Garcia-Munoz, J.L.; Ritter, C.; Brunelli, M.; Aranda, M.A.G.","Room temperature structural and microstructural study for the magneto-conducting La5/8-x Prx Ca3/8 Mn O3 (0 <= x <= 5/8) series","Chemistry of Materials (1,1989-)","2003","15","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002512","19.5674","","5.2457","","16.3084","","90","","125.289","","90","","1366.38","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ni5 (Te O3)4 Cl2","","- Cl2 Ni5 O12 Te4 -","- Cl2 Ni5 O12 Te4 -","- Cl8 Ni20 O48 Te16 -","4","0.5","","Johnsson, M.; Lemmens, P.; Tornroos, K.W.; Millet, P.","Crystal structure and magnetic properties of a new two-dimensional S = 1 quantum system Ni5 (Te O3)3 X2 (X = Cl, Br)","Chemistry of Materials (1,1989-)","2003","15","","68","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","157193","2020-10-21","18:00:00",""
"4002513","20.2554","","5.2498","","16.3005","","90","","124.937","","90","","1420.96","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ni5 (Te O3)4 Br2","","- Br2 Ni5 O12 Te4 -","- Br2 Ni5 O12 Te4 -","- Br8 Ni20 O48 Te16 -","4","0.5","","Johnsson, M.; Tornroos, K.W.; Lemmens, P.; Millet, P.","Crystal structure and magnetic properties of a new two-dimensional S = 1 quantum system Ni5 (Te O3)3 X2 (X = Cl, Br)","Chemistry of Materials (1,1989-)","2003","15","","68","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","157196","2020-10-21","18:00:00",""
"4002543","12.151","","12.151","","12.151","","90","","90","","90","","1794.06","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","(N D3)6 Na2 C60","","- C60 D18 N6 Na2 -","- C60 D18 N6 Na2.004 -","- C120 D36 N12 Na4.008 -","2","0.0416667","","Claridge, J.B.; Fowkes, A.J.; Rosseinsky, M.J.; Watts, I.D.","Cation-site and anion charge ordering in body-centered cubic-packed fullerides with complex counterions","Chemistry of Materials (1,1989-)","2003","15","","1497","1504","","","","","","","","","","","","","","","","","","","","","","has coordinates","158560","2020-10-21","18:00:00",""
"4002544","17.227","","17.227","","10.5","","90","","90","","120","","2698.6","","","","","","","","","","","","","4","P -3","-P 3","147","","(N H3)5.72 Na2 C60","","- C60 H17.16 N5.72 Na2 -","- C60 N5.718 Na2 -","- C180 N17.154 Na6 -","3","0.5","","Claridge, J.B.; Fowkes, A.J.; Rosseinsky, M.J.; Watts, I.D.","Cation-site and anion charge ordering in body-centered cubic-packedfullerides with complex counterions","Chemistry of Materials (1,1989-)","2003","15","","1497","1504","","","","","","","","","","","","","","","","","","","","","","has coordinates","158561","2020-10-21","18:00:00",""
"4002545","5.61267","","5.58753","","7.8994","","90","","90.041","","90","","247.733","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 (Co W O6)","","- Co O6 Sr2 W -","- Co O6 Sr2 W -","- Co2 O12 Sr4 W2 -","2","0.5","","Viola, M.C.; Pagola, S.; Martinez-Lope, M.J.; Alonso, J.A.; Martinez, J.L.; de Paoli, J.M.; Carbonio, R.E.; Pedregosa, J.C.; Fernandez-Diaz, M.T.","Structure and magnetic properties of Sr2 Co W O6: an ordered double perovskite containing Co(2+)(HS) with unquenched orbital magnetic moment","Chemistry of Materials (1,1989-)","2003","15","","1655","1663","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002546","9.5852","","9.5852","","7.8266","","90","","90","","120","","622.739","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr4 Mn2 Co O9","","- Co Mn2 O9 Sr4 -","- Co Mn2 O9 Sr4 -","- Co3 Mn6 O27 Sr12 -","3","0.5","","Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M.; Martinez, J.L.","Synthesis, structural characterization and magnetic study of Sr4 Mn2 Co O9","Chemistry of Materials (1,1989-)","2003","15","","3537","3542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002547","3.8405","","3.8405","","28.165","","90","","90","","90","","415.418","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr4 (Fe1.1 Ni0.9) O6 (C O3)","","- C Fe1.1 Ni0.9 O9 Sr4 -","- C Fe1.1 Ni0.9 O9 Sr4 -","- C2 Fe2.2 Ni1.8 O18 Sr8 -","2","0.0625","","Breard, Y.; Michel, C.; Raveau, B.; Maignan, A.; Studer, F.","First series of transition-metal-layered oxycarbonates: Sr4 Fe2-x Mx O6 C O3 (M = Sc, Ni, Co)","Chemistry of Materials (1,1989-)","2003","15","","1273","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002548","3.8746","","3.8746","","28.048","","90","","90","","90","","421.071","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr4 (Fe Co) O6 (C O3)","","- C Co Fe O9 Sr4 -","- C Co Fe O9 Sr4 -","- C2 Co2 Fe2 O18 Sr8 -","2","0.0625","","Breard, Y.; Maignan, A.; Michel, C.; Studer, F.; Raveau, B.","First series of transition-metal-layered oxycarbonates: Sr4 Fe2-x Mx O6 C O3 (M = Sc, Ni, Co)","Chemistry of Materials (1,1989-)","2003","15","","1273","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002549","4.0529","","4.0529","","27.401","","90","","90","","90","","450.089","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr4 Sc2 O6 (C O3)","","- C O9 Sc2 Sr4 -","- C O9 Sc2 Sr4 -","- C2 O18 Sc4 Sr8 -","2","0.0625","","Breard, Y.; Michel, C.; Maignan, A.; Studer, F.; Raveau, B.","First series of transition-metal-layered oxycarbonates: Sr4 Fe2-x Mx O6 C O3 (M = Sc, Ni, Co)","Chemistry of Materials (1,1989-)","2003","15","","1273","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002550","6.5092","","3.18231","","9.3548","","90","","105.443","","90","","186.782","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Mo2 Sb S2","","- Mo2 S2 Sb -","- Mo2 S2 Sb -","- Mo4 S4 Sb2 -","2","0.5","","Lee Chishen; Safa-Sefat, A.; Greedan, J.E.; Kleinke, H.","Syntehsis, structure and physical properties of mixed valent Mo2 Sb S2, the first superconducting antimonide-sulfide","Chemistry of Materials (1,1989-)","2003","15","","780","786","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002551","5.4731","","5.4731","","29.0138","","90","","90","","90","","869.103","","","","","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","Na Ca2 (Nb3 O10)","","- Ca2 Na Nb3 O10 -","- Ca2 Na Nb3 O10 -","- Ca8 Na4 Nb12 O40 -","4","0.25","","Byeon Song-Ho; Kim Hee Jin; Kim Dong-Kuk; Hur Nam Hwi","Synthesis, structure, magnetic properties and XANES spectra of reduced niobate Rb Nax Ca2 Nb3 O10","Chemistry of Materials (1,1989-)","2003","15","","383","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002552","5.479","","5.479","","28.8264","","90","","90","","90","","865.352","","","","","","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","Rb Na0.86 Ca2 (Nb3 O10)","","- Ca2 Na0.86 Nb3 O10 Rb -","- Ca2 Na0.86 Nb3 O10 Rb -","- Ca8 Na3.44 Nb12 O40 Rb4 -","4","0.25","","Byeon Song-Ho; Kim Hee Jin; Kim Dong-Kuk; Hur Nam Hwi","Synthesis, structure, magnetic properties and XANES spectra of reduced niobate Rb Nax Ca2 Nb3 O10","Chemistry of Materials (1,1989-)","2003","15","","383","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002553","10.1727","","10.1727","","10.1313","","90","","90","","90","","1048.43","","","","","","","","","","","","","3","I 4 c m","I 4 -2c","108","","Zr4 O5 N2","","- N2 O5 Zr4 -","- N2.06 O4.94 Zr4 -","- N16.48 O39.52 Zr32 -","8","0.5","","Michie, C.W.; Claridge, J.B.; Clarke, S.J.; Rosseinsky, M.J.","Zr4 O5 N2 - intergrowth of fluorite and bixbyite anion layers formed by coupled site-selective anion and vacancy ordering","Chemistry of Materials (1,1989-)","2003","15","","1547","1553","","","","","","","","","","","","","","","","","","","","","","has coordinates","158893","2020-10-21","18:00:00",""
"4002554","3.94263","","3.94263","","3.94263","","90","","90","","90","","61.286","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Nd0.4 Ba0.4 Ca0.2) (Zn0.4 Ti0.6) O2.898","","- Ba0.4 Ca0.2 Nd0.4 O2.898 Ti0.6 Zn0.4 -","- Ba0.4 Ca0.2 Nd0.4 O2.898 Ti0.6 Zn0.4 -","- Ba0.4 Ca0.2 Nd0.4 O2.898 Ti0.6 Zn0.4 -","1","0.0208333","","Jha, P.; Bobev, S.; Subbanna, G.N.; Ganguli, A.K.","Nd2 Ba2 Ca Zn2 Ti3 O14.4: a new high dielectric constant oxide having a disordered (cubic) perovskite structure","Chemistry of Materials (1,1989-)","2003","15","","2229","2233","","","","","","","","","","","","","","","","","","","","","","has coordinates","158907","2020-10-21","18:00:00",""
"4002555","5.5474","","5.5142","","7.8229","","90","","90","","90","","239.298","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","La ((Ga0.8 Mg0.2) O2.9)","","- Ga0.8 La Mg0.2 O2.9 -","- Ga0.8 La Mg0.2 O2.89 -","- Ga3.2 La4 Mg0.8 O11.56 -","4","0.5","","Kajitani, M.; Torii, S.; Matsuda, M.; Oikawa, K.I.; Hoshikawa, A.; Izumi, F.; Kamiyama, T.; Miyake, M.","Neutron diffraction study on lanthanum gallate perovskite compound series","Chemistry of Materials (1,1989-)","2003","15","","3468","3473","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002556","3.91479","","3.91479","","3.91479","","90","","90","","90","","59.996","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(La0.8 Sr0.2) ((Ga0.8 Mg0.2) O2.55)","","- Ga0.8 La0.8 Mg0.2 O2.55 Sr0.2 -","- Ga0.8 La0.8 Mg0.2 O2.55 Sr0.2 -","- Ga0.8 La0.8 Mg0.2 O2.55 Sr0.2 -","1","0.0208333","","Kajitani, M.; Izumi, F.; Matsuda, M.; Miyake, M.; Hoshikawa, A.; Oikawa, K.I.; Torii, S.; Kamiyama, T.","Neutron diffraction study on lanthanum gallate perovskite compound series","Chemistry of Materials (1,1989-)","2003","15","","3468","3473","","","","","","","","","","","","","","","","","","","","","","has coordinates","158995","2020-10-21","18:00:00",""
"4002557","5.7054","","5.7714","","8.0415","","90","","90.14","","90","","264.791","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pb2 (Mn Re O6)","","- Mn O6 Pb2 Re -","- Mn O6 Pb2 Re -","- Mn2 O12 Pb4 Re2 -","2","0.5","","Ramesha, K.; Sebastian, L.; Eichhorn, B.; Gopalakrishnan, J.","Perovskite and pyrochlore modifications of Pb2 Mn Re O6: synthesis,structure and electronic properties","Chemistry of Materials (1,1989-)","2003","15","","668","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002558","10.412","","10.412","","10.412","","90","","90","","90","","1128.76","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Pb2 (Mn Re O6)","","- Mn O6 Pb2 Re -","- Mn O6 Pb2 Re -","- Mn8 O48 Pb16 Re8 -","8","0.0416667","","Ramesha, K.; Eichhorn, B.; Sebastian, L.; Gopalakrishnan, J.","Perovskite and pyrochlore modifications of Pb2 Mn Re O6: synthesis,structure and electronic properties","Chemistry of Materials (1,1989-)","2003","15","","668","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002559","7.21901","","7.21901","","7.21901","","90","","90","","90","","376.212","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ca (Cu2.42 Mn0.58) Mn4 O12","","- Ca Cu2.42 Mn4.58 O12 -","- Ca Cu2.424 Mn4.576 O12 -","- Ca2 Cu4.848 Mn9.152 O24 -","2","0.0416667","","Sanchez-Benitez, JJ.; Alonso, J.A.; Fernandez-Diaz, M.T.; Casais, M.T.; Martinez, J.L.; Martinez-Lope, M.J.; de Andres, A.","Preparation, crystal and magnetic structure and magnetotransport properties of the double perovskite Ca Cu2.5 Mn4.5 O12","Chemistry of Materials (1,1989-)","2003","15","","2193","2200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002561","3.8789","","3.8789","","11.4924","","90","","90","","90","","172.913","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sr2 La ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.28)","","- Cu1.999 Fe1.001 La O7.28 Sr2 -","- Cu1.999 Fe1.001 La O7.28 Sr2 -","- Cu1.999 Fe1.001 La O7.28 Sr2 -","1","0.0625","","Yang, L.T.; Liang, J.K.; Feng, X.M.; Liu, Q.L.; Fan, H.M.; Yang, H.F.; Rao, G.H.; Song, G.B.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002562","3.8633","","3.8633","","11.4867","","90","","90","","90","","171.44","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sr2 Nd ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.38)","","- Cu1.999 Fe1.001 Nd O7.38 Sr2 -","- Cu1.999 Fe1.001 Nd O7.38 Sr2 -","- Cu1.999 Fe1.001 Nd O7.38 Sr2 -","1","0.0625","","Yang, L.T.; Liang, J.K.; Feng, X.M.; Liu, Q.L.; Yang, H.F.; Fan, H.M.; Song, G.B.; Rao, G.H.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002563","3.8559","","3.8559","","11.4273","","90","","90","","90","","169.901","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sr2 Sm ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.40)","","- Cu1.999 Fe1.001 O7.4 Sm Sr2 -","- Cu1.999 Fe1.001 O7.4 Sm Sr2 -","- Cu1.999 Fe1.001 O7.4 Sm Sr2 -","1","0.0625","","Yang, L.T.; Liang, J.K.; Liu, Q.L.; Fan, H.M.; Yang, H.F.; Feng, X.M.; Song, G.B.; Rao, G.H.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002564","3.8502","","3.8502","","11.4084","","90","","90","","90","","169.119","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sr2 Eu ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.36)","","- Cu1.999 Eu Fe1.001 O7.36 Sr2 -","- Cu1.999 Eu Fe1.001 O7.36 Sr2 -","- Cu1.999 Eu Fe1.001 O7.36 Sr2 -","1","0.0625","","Yang, L.T.; Liang, J.K.; Liu, Q.L.; Fan, H.M.; Song, G.B.; Feng, X.M.; Rao, G.H.; Yang, H.F.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002565","3.8457","","3.8457","","11.3895","","90","","90","","90","","168.444","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sr2 Gd ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.34)","","- Cu1.999 Fe1.001 Gd O7.34 Sr2 -","- Cu1.999 Fe1.001 Gd O7.34 Sr2 -","- Cu1.999 Fe1.001 Gd O7.34 Sr2 -","1","0.0625","","Yang, L.T.; Liang, J.K.; Song, G.B.; Liu, Q.L.; Yang, H.F.; Fan, H.M.; Feng, X.M.; Rao, G.H.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002566","3.8274","","3.8329","","11.3652","","90","","90","","90","","166.728","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Sr2 Dy ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.36)","","- Cu1.999 Dy Fe1.001 O7.36 Sr2 -","- Cu1.999 Dy Fe1.001 O7.36 Sr2 -","- Cu1.999 Dy Fe1.001 O7.36 Sr2 -","1","0.125","","Yang, L.T.; Liang, J.K.; Liu, Q.L.; Feng, X.M.; Fan, H.M.; Rao, G.H.; Song, G.B.; Yang, H.F.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002567","3.8213","","3.8274","","11.3682","","90","","90","","90","","166.267","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Sr2 Ho ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.40)","","- Cu1.999 Fe1.001 Ho O7.4 Sr2 -","- Cu1.999 Fe1.001 Ho O7.4 Sr2 -","- Cu1.999 Fe1.001 Ho O7.4 Sr2 -","1","0.125","","Yang, L.T.; Liang, J.K.; Song, G.B.; Yang, H.F.; Fan, H.M.; Feng, X.M.; Liu, Q.L.; Rao, G.H.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002568","3.8159","","3.8229","","11.3742","","90","","90","","90","","165.925","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Sr2 Er ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.36)","","- Cu1.999 Er Fe1.001 O7.36 Sr2 -","- Cu1.999 Er Fe1.001 O7.36 Sr2 -","- Cu1.999 Er Fe1.001 O7.36 Sr2 -","1","0.125","","Yang, L.T.; Liu, Q.L.; Liang, J.K.; Song, G.B.; Fan, H.M.; Feng, X.M.; Yang, H.F.; Rao, G.H.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002569","3.8115","","3.818","","11.3856","","90","","90","","90","","165.687","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Sr2 Yb ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.42)","","- Cu1.999 Fe1.001 O7.42 Sr2 Yb -","- Cu1.999 Fe1.001 O7.42 Sr2 Yb -","- Cu1.999 Fe1.001 O7.42 Sr2 Yb -","1","0.125","","Yang, L.T.; Liang, J.K.; Liu, Q.L.; Feng, X.M.; Fan, H.M.; Yang, H.F.; Song, G.B.; Rao, G.H.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002570","3.8422","","3.8422","","11.3731","","90","","90","","90","","167.895","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sr2 Gd ((Fe0.606 Cu0.394) (Cu0.803 Fe0.197)2 O7.38)","","- Cu2 Fe Gd O7.38 Sr2 -","- Cu2 Fe Gd O7.38 Sr2 -","- Cu2 Fe Gd O7.38 Sr2 -","1","0.0625","","Yang, L.T.; Rao, G.H.; Liang, J.K.; Fan, H.M.; Liu, Q.L.; Yang, H.F.; Song, G.B.; Feng, X.M.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002571","3.8578","","3.8578","","11.4731","","90","","90","","90","","170.75","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sr2 Gd ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.16)","","- Cu1.999 Fe1.001 Gd O7.16 Sr2 -","- Cu1.999 Fe1.001 Gd O7.16 Sr2 -","- Cu1.999 Fe1.001 Gd O7.16 Sr2 -","1","0.0625","","Yang, L.T.; Feng, X.M.; Liang, J.K.; Liu, Q.L.; Fan, H.M.; Song, G.B.; Yang, H.F.; Rao, G.H.","Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)","Chemistry of Materials (1,1989-)","2003","15","","4987","4995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002572","3.3251","","5.7432","","22.939","","90","","90","","90","","438.06","","","","","","","","","","","","","3","F m 2 m","F -2 -2","42","","(Eu S)1.173 Nb S2","","- Eu1.173 Nb S3.173 -","- Eu1.173 Nb S3.173 -","- Eu4.692 Nb4 S12.692 -","4","0.25","","Cario, L.; Palvadeau, P.; Moelo, Y.; Lafond, A.; Meerschaut, A.; Deudon, C.; Corraze, B.","Mixed-valence state of europium in the misfit layer compound (Eu S)1.173 Nb S2","Chemistry of Materials (1,1989-)","2003","15","","943","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002573","10.158","","10.158","","10.158","","90","","90","","90","","1048.15","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Rb2 (Ti1.01 Er0.99) (P O4)3","","- Er0.99 O12 P3 Rb2 Ti1.01 -","- Er0.987 O12 P3 Rb2 Ti1.013 -","- Er3.948 O48 P12 Rb8 Ti4.052 -","4","0.333333","","Carvajal, J.J.; Aznar, A.; Sole, R.; Diaz, F.; Massons, J.; Gavalda, J.; Solans, X.; Aguilo, M.","Growth and structural characterization of Rb2 Ti1.01 Er0.99 (P O4)3","Chemistry of Materials (1,1989-)","2003","15","","204","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","159433","2020-10-21","18:00:00",""
"4002574","7.5475","","12.5581","","7.8286","","90","","101.55","","90","","726.987","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ce2 (Si S5)","","- Ce2 S5 Si -","- Ce2 S5 Si -","- Ce8 S20 Si4 -","4","1","","Gauthier, G.; Jobic, S.; Evain, M.; Fouassier, C.; Koo, H.-J.; Whangbo Myunghwan; Brec, R.","Syntheses, structures and optical properties of yellow Ce2 Si S5, Ce6 Si4 S17 and Ce4 Si3 S12 materials","Chemistry of Materials (1,1989-)","2003","15","","828","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002575","19.1745","","19.1745","","7.9943","","90","","90","","120","","2545.42","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ce4 (Si S4)3","","- Ce4 S12 Si3 -","- Ce4 S12 Si3 -","- Ce24 S72 Si18 -","6","0.333333","","Gauthier, G.; Jobic, S.; Evain, M.; Koo, H.-J.; Brec, R.; Whangbo Myunghwan; Fouassier, C.","Syntheses, structures and optical properties of yellow Ce2 Si S5, Ce6 Si4 S17 and Ce4 Si3 S12 materials","Chemistry of Materials (1,1989-)","2003","15","","828","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","159624","2020-10-21","18:00:00",""
"4002576","8.9576","","10.0022","","14.2651","","82.188","","86.889","","89.515","","1264.36","","","","","","","","","","","","","3","P -1","-P 1","2","","Ce6 (Si4 S17)","","- Ce6 S17 Si4 -","- Ce6 S17 Si4 -","- Ce12 S34 Si8 -","2","1","","Gauthier, G.; Fouassier, C.; Evain, M.; Jobic, S.; Brec, R.; Koo, H.-J.; Whangbo Myunghwan","Syntheses, structures and optical properties of yellow Ce2 Si S5, Ce6 Si4 S17 and Ce4 Si3 S12 materials","Chemistry of Materials (1,1989-)","2003","15","","828","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","159627","2020-10-21","18:00:00",""
"4002577","5.87961","","7.3156","","9.13945","","90","","90","","90","","393.114","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Zr (Mo O4)2","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo4 O16 Zr2 -","2","0.5","","Allen, S.; Warmingham, N.R.; Gover, R.K.B.; Evans, J.S.O.","Synthesis, structure and thermal contraction of a new low-temperature polymorph of Zr Mo2 O8","Chemistry of Materials (1,1989-)","2003","15","","3406","3410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002578","8.0375","","10.99","","11.1115","","90","","110.921","","90","","916.793","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","La4 (Si2 O7 N2)","","- La4 N2 O7 Si2 -","- La4 N2 O7 Si2 -","- La16 N8 O28 Si8 -","4","1","","Takahashi, J.; Kamiyama, T.; Yamane, H.; Hirosaki, N.; Yamamoto, Y.; Suehiro, T.; Shimada, M.","Crystal structure of La4 Si2 O7 N2 analyzed by the Rietveld method using the time-of-flight neutron powder diffraction data","Chemistry of Materials (1,1989-)","2003","15","","1099","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","159761","2020-10-21","18:00:00",""
"4002579","11.845","","3.677","","9.058","","90","","88.635","","90","","394.401","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(N H4)0.5 (V2 O5) (H2 O)0.5","","- H3 N0.5 O5.5 V2 -","- N0.5 O5.5 V2 -","- N2 O22 V8 -","4","0.5","","Trikalitis, P.N.; Petkov, V.; Kanatzidis, M.G.","Structure of redox intercalated (N H4)0.5 V2 O5 * m(H2 O) xerogel using the pair distribution function technique","Chemistry of Materials (1,1989-)","2003","15","","3337","3342","","","","","","","","","","","","","","","","","","","","","","has coordinates","159945","2020-10-21","18:00:00",""
"4002581","9.8394","","5.6823","","15.6435","","90","","102.093","","90","","855.226","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","La4 Ba2.6 Ca1.4 ((Mn4 Ca) O19)","","- Ba2.6 Ca2.4 La4 Mn4 O19 -","- Ba2.6 Ca2.4 La4 Mn4 O19 -","- Ba5.2 Ca4.8 La8 Mn8 O38 -","2","0.25","","Bie Lijian; Wang Yingxia; You Liping; Lin Jianhua; Richardson, J.W.jr.; Dong Cheng; Loong Chun-K","Synthesis and structure of n = 5 member of the An+1 Mnn O3n+3 (A2 O) series","Chemistry of Materials (1,1989-)","2003","15","","516","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","160045","2020-10-21","18:00:00",""
"4002582","2.8879","","2.8879","","14.269","","90","","90","","120","","103.06","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li0.882 Ni0.118) ((Mn0.5 Ni0.381 Li0.118) O2)","","- Li Mn0.5 Ni0.499 O2 -","- Li Mn0.5 Ni0.499 O2 -","- Li3 Mn1.5 Ni1.497 O6 -","3","0.0833333","","Venkatraman, S.; Manthiram, A.","Structural and chemical characterization of layered Li1-x Ni1-y Mny O2-d (y = 0.25 and 0.5, and 0 < 1-x < 1) oxides","Chemistry of Materials (1,1989-)","2003","15","","5003","5009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002583","3.879","","3.879","","11.861","","90","","90","","90","","178.468","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","(Fe0.98 Cl0.969) La (Nb2 O7)","","- Cl0.969 Fe0.98 La Nb2 O7 -","- Cl0.969 Fe0.98 La Nb2 O7 -","- Cl0.969 Fe0.98 La Nb2 O7 -","1","0.0625","","Viciu, L.; Spinu, L.; Koenig, J.; Wiley, J.B.; Zhou Weilie","Insertion of a two-dimensional iron-chloride network between perovskite blocks. Synthesis and characterization of the layered oxyhalide, (Fe Cl) La Nb2 O7","Chemistry of Materials (1,1989-)","2003","15","","1480","1485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002584","6.984","","5.974","","8.345","","90","","90","","90","","348.174","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (Fe B O4)","","- B Fe O4 Pb -","- B Fe O4 Pb -","- B4 Fe4 O16 Pb4 -","4","0.5","","Park, H.; Greedan, J.E.; Lam, R.; Barbier, J.","Synthesis, crystal structure, crystal chemistry and magnetic properties of Pb M B O4 (M = Cr, Mn, Fe): a new structure type exhibiting one-dimensional magnetism","Chemistry of Materials (1,1989-)","2003","15","","1703","1712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002585","8.603","","8.603","","21.713","","90","","90","","120","","1391.71","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na2 Ti Fe (P O4)3","","- Fe Na2 O12 P3 Ti -","- Fe Na2 O12 P3 Ti -","- Fe6 Na12 O72 P18 Ti6 -","6","0.166667","","Patoux, S.; Rousse, G.; Leriche, J.B.; Masquelier, C.","Structural and electrochemical studies of rhombohedral Na2 Ti M (P O4)3 and Li1.6 Na0.4 Ti M (P O4)3 (M = Fe, Cr) phosphates","Chemistry of Materials (1,1989-)","2003","15","","2084","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002586","8.563","","8.563","","21.684","","90","","90","","120","","1376.96","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na2 Ti Cr (P O4)3","","- Cr Na2 O12 P3 Ti -","- Cr Na2.01 O12 P3 Ti -","- Cr6 Na12.06 O72 P18 Ti6 -","6","0.166667","","Patoux, S.; Rousse, G.; Leriche, J.B.; Masquelier, C.","Structural and electrochemical studies of rhombohedral Na2 Ti M (P O4)3 and Li1.6 Na0.4 Ti M (P O4)3 (M = Fe, Cr) phosphates","Chemistry of Materials (1,1989-)","2003","15","","2084","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002587","8.39","","8.39","","22.04","","90","","90","","120","","1343.59","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","Li1.6 Na0.4 Ti Fe (P O4)3","","- Fe Li1.6 Na0.4 O12 P3 Ti -","- Fe Li1.62 Na0.43 O12 P3 Ti -","- Fe6 Li9.72 Na2.58 O72 P18 Ti6 -","6","0.333333","","Patoux, S.; Rousse, G.; Leriche, J.B.; Masquelier, C.","Structural and electrochemical studies of rhombohedral Na2 Ti M (P O4)3 and Li1.6 Na0.4 Ti M (P O4)3 (M = Fe, Cr) phosphates","Chemistry of Materials (1,1989-)","2003","15","","2084","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002588","8.342","","8.342","","21.951","","90","","90","","120","","1322.9","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","Li1.65 Na0.34 Ti Cr (P O4)3","","- Cr Li1.65 Na0.34 O12 P3 Ti -","- Cr Li1.65 Na0.34 O12 P3 Ti -","- Cr6 Li9.9 Na2.04 O72 P18 Ti6 -","6","0.333333","","Patoux, S.; Rousse, G.; Leriche, J.B.; Masquelier, C.","Structural and electrochemical studies of rhombohedral Na2 Ti M (P O4)3 and Li1.6 Na0.4 Ti M (P O4)3 (M = Fe, Cr) phosphates","Chemistry of Materials (1,1989-)","2003","15","","2084","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002589","19.3151","","5.3196","","5.3111","","90","","90","","90","","545.708","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Ca2.8 Th0.2) (Mn2 O7)","","- Ca2.8 Mn2 O7 Th0.2 -","- Ca2.8 Mn2 O7 Th0.2 -","- Ca11.2 Mn8 O28 Th0.8 -","4","0.25","","Lobanov, M.V.; Li Siwen; Greenblatt, M.","Structural, magnetic and transport properties of the two electron-doped Ruddlesden-Popper manganites Ca3-x Thx Mn2 O7","Chemistry of Materials (1,1989-)","2003","15","","1302","1308","","","","","","","","","","","","","","","","","","","","","","has coordinates","160383","2020-10-21","18:00:00",""
"4002634","7.527","","7.527","","4.548","","90","","90","","120","","223.149","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ce Mg Ga","","- Ce Ga Mg -","- Ce Ga Mg -","- Ce3 Ga3 Mg3 -","3","0.25","","Kraft, R.; Poettgen, R.; Kaczorowski, D.","Magnetic and electrical behavior in CeMgGa","Chemistry of Materials (1,1989-)","2003","15","","2998","3002","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002649","16.318","","16.6125","","17.8898","","90","","99.6837","","90","","4780.52","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Ge7 O14 F3) ((C H2)5 (N H3)2)1.5 (H2 O)","","- C7.5 H26 F3 Ge7 N3 O15 -","- C7.5 F3 Ge7 N3 O15 -","- C60 F24 Ge56 N24 O120 -","8","1","","Plevert, J.; Yaghi, O.M.; Gentz, T.M.; O'Keeffe, M.; Groy, T.L.","Layered structures constructed from new linkages of Ge7 (O, OH, F)19 clusters","Chemistry of Materials (1,1989-)","2003","15","","714","718","","","","","","","","","","","","","","","","","","","","","","has coordinates","173026","2020-10-21","18:00:00",""
"4031215","9.26","","23.97","","14.31","","90","","122.9","","90","","2666.87","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs2 (Co6 (C O)15) (H2 O)3","","- C15 H6 Co6 Cs2 O18 -","- C15 Co6 Cs2 O18 -","- C60 Co24 Cs8 O72 -","4","1","","Albano, V.; Chini, P.; Scatturin, V.","Crystal and molecular structure of the cesium salt of the hexanuclear carbonyl cobaltate (Co6 (C O)15)2-","Journal of Organometallic Chemistry","1968","15","","423","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","148370","2020-10-21","18:00:00",""
"4031650","6.072","","6.072","","6.072","","90","","90","","90","","223.87","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho Te -","- Ho Te -","- Ho4 Te4 -","4","0.0208333","","Brixner, L.H.","Structure and electric properties of some new rare earth arsenides, antimonides, and tellurides","Journal of Inorganic and Nuclear Chemistry","1960","15","","199","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4063227","40.632","0.006","13.943","0.003","23.645","0.005","90","","92.42","0.015","90","","13383.7","4.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C560 H712 Cl16 O64 P16 Rh8 -","- C560 H712 Cl16 O64 P16 Rh8 -","- C560 H712 Cl16 O64 P16 Rh8 -","1","0.125","","Annemiek van Rooy; Paul C. J. Kamer; Piet W. N. M. van Leeuwen; Kees Goubitz; Jan Fraanje; Nora Veldman; Anthony L. Spek","Bulky Diphosphite-Modified Rhodium Catalysts: Hydroformylation and Characterization","Organometallics","1996","15","2","835","847","10.1021/om950549k","","","0.71073","MoKα","","0.1877","0.0815","","0.1643","0.1374","","","","0.935","1.169","1.169","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4078324","8.936","0.001","9.0223","0.001","11.5637","0.001","103.165","0.011","101.212","0.01","97.836","0.01","874.41","0.17","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 F6 N4 O8 Pt2 S2 -","- C26 H42 F6 N4 O8 Pt2 S2 -","- C26 H42 F6 N4 O8 Pt2 S2 -","1","0.5","","Schmülling, Michael; Grove, David M.; van Koten, Gerard; van Eldik, Rudi; Veldman, Nora; Spek, A. L.","Comparative Rates of Ligand Substitution Reactions of Pt−C-Bonded Complexes in Aqueous Solution and the X-ray Crystal Structure of [Pt{C6H3(CH2NMe2)2-2,6}(OH2)][OSO2CF3]","Organometallics","1996","15","5","1384","","10.1021/om950474k","","","0.71073","MoKα","","","0","","0","","","","","0","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078328","11.1652","0.0004","11.1652","0.0004","8.0783","0.0004","90","","90","","90","","1007.05","0.07","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C18 H30 N4 Rh2 -","- C18 H30 N4 Rh2 -","- C36 H60 N8 Rh4 -","2","0.25","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.0157","0.0148","","0.0423","0.0395","","","","1.07","1.073","1.073","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078329","11.3552","0.0014","11.237","0.0011","25.185","0.004","90","","90.403","0.013","90","","3213.5","0.7","233","2","233","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 N8 Rh2 -","- C26 H24 N8 Rh2 -","- C104 H96 N32 Rh8 -","4","1","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.045","0.034","","0.1011","0.0914","","","","1.062","1.065","1.065","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078330","17.367","0.003","9.993","0.002","16.344","0.003","90","","97.76","0.01","90","","2810.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 Rh2 -","- C24 H18 N6 Rh2 -","- C96 H72 N24 Rh8 -","4","1","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.1529","0.0565","","0.1458","0.1116","","","","1.009","1.121","1.121","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078331","6.7455","0.0006","16.1596","0.0013","12.9502","0.0009","90","","90","","90","","1411.6","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H6 N4 O4 Rh2 -","- C10 H6 N4 O4 Rh2 -","- C40 H24 N16 O16 Rh8 -","4","0.5","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.0381","0.0187","","0.0411","0.0379","","","","0.861","1.033","1.033","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078332","12.945","0.003","9.219","0.004","13.661","0.004","90","","93.96","0.02","90","","1626.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Pb Si2 -","- C30 H54 Pb Si2 -","- C60 H108 Pb2 Si4 -","2","0.5","","Constantine, Steven P.; Hitchcock, Peter B.; Lawless, Gerard A.","Synthesis, Characterization, and Molecular Structure of Bis{(tert-butyldimethylsilyl)- tetramethylcyclopentadienyl}lead","Organometallics","1996","15","19","3905","","10.1021/om960511n","","","0.71073","MoKα","","0.074","0.0441","","0.1043","0.0954","","","","1.221","1.344","1.344","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078333","9.307","0.001","16.19","0.002","13.955","0.001","90","","96.35","0.01","90","","2089.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Mo2 O7 Ru -","- C20 H14 Mo2 O7 Ru -","- C80 H56 Mo8 O28 Ru4 -","4","1","","Adams, Harry; Gill, Louise J.; Morris, Michael J.","Rearrangement and Scission of Terminal Alkynes in Dimolybdenum Complexes on Reaction with Ruthenium Carbonyl: Formation of Trinuclear Vinylidene and Hexanuclear Bis(alkylidyne) Clusters","Organometallics","1996","15","20","4182","","10.1021/om960235c","","","0.71073","MoKα","","0.0498","0.0476","","0.1225","0.1205","","","","1.274","1.294","1.294","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078334","15.126","0.003","14.672","0.002","15.196","0.002","90","","91.81","0.01","90","","3370.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Cl2 Mo2 O12 Ru4 -","- C27 H18 Cl2 Mo2 O12 Ru4 -","- C108 H72 Cl8 Mo8 O48 Ru16 -","4","1","","Adams, Harry; Gill, Louise J.; Morris, Michael J.","Rearrangement and Scission of Terminal Alkynes in Dimolybdenum Complexes on Reaction with Ruthenium Carbonyl: Formation of Trinuclear Vinylidene and Hexanuclear Bis(alkylidyne) Clusters","Organometallics","1996","15","20","4182","","10.1021/om960235c","","","0.71073","MoKα","","0.0436","0.0384","","0.1018","0.0985","","","","1.224","1.262","1.262","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078335","14.018","0.009","22.364","0.011","24.087","0.014","90","","101.32","0.05","90","","7404","7","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C98 H88 Li2 -","- C98 H88 Li2 -","- C392 H352 Li8 -","4","1","","Dohmeier, Carsten; Baum, Elke; Ecker, Achim; Köppe, Ralf; Schnöckel, Hansgeorg","Pentabenzylcyclopentadienides of Lithium","Organometallics","1996","15","22","4702","","10.1021/om960375m","","","0.71069","MoKa","","0.3228","0.0606","","0.1843","0.1119","","","","0.956","1.5","1.5","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078357","11.374","0.005","11.374","0.005","18.75","0.005","90","","90","","90","","2425.6","1.6","223","2","223","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H32 Fe N2 O6 -","- C24 H32 Fe N2 O6 -","- C96 H128 Fe4 N8 O24 -","4","0.5","","Oberhoff, Markus; Duda, Lothar; Karl, Jörn; Mohr, Roland; Erker, Gerhard; Fröhlich, Roland; Grehl, Matthias","The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes","Organometallics","1996","15","19","4005","","10.1021/om960234k","","","0.71073","MoKα","","0.088","0.0392","","0.1154","0.0993","","","","1.115","1.137","1.137","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078358","10.084","0.002","11.182","0.002","14.364","0.003","90","","92.2","0.02","90","","1618.5","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 Fe N O3 -","- C17 H21 Fe N O3 -","- C68 H84 Fe4 N4 O12 -","4","2","","Oberhoff, Markus; Duda, Lothar; Karl, Jörn; Mohr, Roland; Erker, Gerhard; Fröhlich, Roland; Grehl, Matthias","The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes","Organometallics","1996","15","19","4005","","10.1021/om960234k","","","0.71073","MoKα","","0.1982","0.0591","","0.1552","0.113","","","","0.988","1.12","1.12","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078359","9.046","0.003","9.184","0.003","12.508","0.008","70.66","0.04","74.9","0.04","65.62","0.02","883.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H27 B8 Ir P2 S -","- C6 H27 B8 Ir P2 S -","- C12 H54 B16 Ir2 P4 S2 -","2","1","","Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence","Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors","Organometallics","1996","15","23","4916","","10.1021/om960313w","","","0.71073","MoKα","","0.0635","0.0521","","0.1389","0.1312","","","","1.044","1.077","1.077","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078360","9.385","0.007","9.485","0.007","12.466","0.009","69.14","0.05","74.5","0.05","63.63","0.03","921.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H29 B8 Ir P2 S -","- C6 H29 B8 Ir P2 S -","- C12 H58 B16 Ir2 P4 S2 -","2","1","","Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence","Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors","Organometallics","1996","15","23","4916","","10.1021/om960313w","","","0.71073","MoKα","","0.0358","0.0298","","0.0774","0.0727","","","","1.045","1.065","1.065","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078361","8.769","0.003","16.666","0.005","13.511","0.004","90","","97.12","0.02","90","","1959.3","1.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H29 B8 Ir O P2 -","- C9 H29 B8 Ir O P2 -","- C36 H116 B32 Ir4 O4 P8 -","4","1","","Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence","Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors","Organometallics","1996","15","23","4916","","10.1021/om960313w","","","0.71073","MoKα","","0.0634","0.0378","","0.0867","0.0766","","","","1.03","1.073","1.073","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078362","11.7902","0.0008","15.2863","0.0011","16.2122","0.0011","90","","105.288","0.006","90","","2818.5","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 Cl Mo P3 -","- C29 H38 Cl Mo P3 -","- C116 H152 Cl4 Mo4 P12 -","4","1","","Abugideiri, Fatima; Fettinger, James C.; Keogh, D. Webster; Poli, Rinaldo","Four-Legged Piano Stool Molybdenum(II) Compounds without Carbonyl Ligands. 4. Cyclopentadienylmolybdenum(II) Complexes with 16-Electron and 18-Electron Configurations","Organometallics","1996","15","21","4407","","10.1021/om960331d","","","0.71073","MoKα","","0.1022","0.0611","","0.121","0.1067","","","","1.117","1.193","1.193","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078363","11.1404","0.0012","17.6283","0.0015","16.936","0.002","90","","107.922","0.009","90","","3164.6","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl Mo P2 -","- C36 H39 Cl Mo P2 -","- C144 H156 Cl4 Mo4 P8 -","4","1","","Abugideiri, Fatima; Fettinger, James C.; Keogh, D. Webster; Poli, Rinaldo","Four-Legged Piano Stool Molybdenum(II) Compounds without Carbonyl Ligands. 4. Cyclopentadienylmolybdenum(II) Complexes with 16-Electron and 18-Electron Configurations","Organometallics","1996","15","21","4407","","10.1021/om960331d","","","0.71073","MoKα","","0.0649","0.0365","","0.0954","0.0812","","","","1.064","1.077","1.077","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078364","8.0735","0.0005","13.9677","0.0009","20.458","0.002","90","","90.3421","0.0007","90","","2307","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H37 Cl2 Nb P2 -","- C18 H37 Cl2 Nb P2 -","- C72 H148 Cl8 Nb4 P8 -","4","1","","Fettinger, J. C.; Keogh, D. Webster; Kraatz, Heinz-Bernhard; Poli, Rinaldo","Synthesis and Properties of Cyclopentadienylniobium(III) Complexes. A Magneto−Structural Correlation for 16-Electron Four-Legged Piano Stool Complexes†","Organometallics","1996","15","26","5489","","10.1021/om960384v","","","0.71073","MoKα","","0.0808","0.0498","","0.1382","0.1193","","","","1.038","1.068","1.068","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078365","8.995","0.006","23.659","0.015","12.756","0.008","90","","98.67","0.05","90","","2684","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[H(CpCo)3(1,1-Ph2-ethane)]+[CF3COO]- . H2O","","","- C31 H32 Co3 F3 O3 -","- C31 H30 Co3 F3 O3 -","- C124 H120 Co12 F12 O12 -","4","1","","Wadepohl, Hubert; Calhorda, Maria José; Herrmann, Michael; Jost, Christof; Lopes, Pedro E. M.; Pritzkow, Hans","Organometallic Cluster Complexes with Face-Capping Arene Ligands. 8. Nucleophilic Reactivity of Cluster Complexes with Face-Capping Arene Ligands: Metal vs Ligand Protonation†","Organometallics","1996","15","26","5622","","10.1021/om9605692","","","0.71073","MoKα","","0.098","0.0599","","0.1744","0.1537","","","","1.093","1.245","1.245","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078366","18.942","0.009","17.686","0.009","24.178","0.012","90","","105.36","0.03","90","","7811","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(CpCo)3(alpha-methylstyrene)]+[BPh4]- / 0.5 CH2Cl2","","","- C48.5 H46 B Cl Co3 -","- C48.5 H45.98 B Cl Co3 -","- C388 H367.84 B8 Cl8 Co24 -","8","1","","Wadepohl, Hubert; Calhorda, Maria José; Herrmann, Michael; Jost, Christof; Lopes, Pedro E. M.; Pritzkow, Hans","Organometallic Cluster Complexes with Face-Capping Arene Ligands. 8. Nucleophilic Reactivity of Cluster Complexes with Face-Capping Arene Ligands: Metal vs Ligand Protonation†","Organometallics","1996","15","26","5622","","10.1021/om9605692","","","0.7107","MoKα","","0.1328","0.0447","","0.1109","0.0878","","","","1.006","1.14","1.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4343554","9.523","","7.903","","9.294","","90","","114.15","","90","","638.25","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Co3 (P O4)2 (H2 O)","","- Co3 H2 O9 P2 -","- Co3 O9 P2 -","- Co12 O36 P8 -","4","1","","Anderson, J.; Kostiner, E.; Ruszala, F.A.","Crystal structure of cobalt(II) orthophosphate monohydrate, Co3 (P O4)2 H2 O","Inorganic Chemistry","1976","15","","2744","2748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343569","10.622","","10.393","","8.722","","87.56","","95.59","","124.58","","788.891","","","","","","","","","","","","","5","P -1","-P 1","2","","(((Mn (C O)5)2 In)2 Cl2)","","- C20 Cl2 In2 Mn4 O20 -","- C20 Cl2 In2 Mn4 O20 -","- C20 Cl2 In2 Mn4 O20 -","1","0.5","","Haupt, H.J.; Wolfes, W.; Preut, H.","Single-crystal X-ray analysis of compounds with a covalent metal-metal bond. 5. Characterization of halogeno-bridged structures of three dimers of halogenobis (pentacarbonylmanganio) indium(III), ((Mn (C O)5)2 In (mue-X))2 (X= Cl, Br, I)","Inorganic Chemistry","1976","15","","2920","2927","","","","","","","","","","","","","","","","","","","","","","has coordinates","140780","2020-10-21","18:00:00",""
"4343570","10.634","","10.396","","8.823","","87.79","","95.33","","124.32","","801.981","","","","","","","","","","","","","5","P -1","-P 1","2","","((Mn (C O)5)2 In)2 Br2","","- C20 Br2 In2 Mn4 O20 -","- C20 Br2 In2 Mn4 O20 -","- C20 Br2 In2 Mn4 O20 -","1","0.5","","Haupt, H.J.; Preut, H.; Wolfes, W.","Single-crystal X-ray analysis of compounds with a covalent metal-metal bond. 5. Characterization of halogeno-bridged structures of three dimers of halogenobis (pentacarbonylmanganio) indium(III), ((Mn (C O)5)2 In (mue-X))2 (X= Cl, Br, I)","Inorganic Chemistry","1976","15","","2920","2927","","","","","","","","","","","","","","","","","","","","","","has coordinates","140782","2020-10-21","18:00:00",""
"4343571","10.649","","10.457","","9.073","","87.67","","95.07","","123.79","","836.344","","","","","","","","","","","","","5","P -1","-P 1","2","","((Mn (C O)5)2 In)2 I2","","- C20 I2 In2 Mn4 O20 -","- C20 I2 In2 Mn4 O20 -","- C20 I2 In2 Mn4 O20 -","1","0.5","","Haupt, H.J.; Wolfes, W.; Preut, H.","Single-crystal x-ray analysis of compounds with a covalent metal-metal bond. 5. Characterization of halogeno-bridged structures of three dimers of halogenobis (pentacarbonylmanganio) indium(III), ((Mn (C O)5)2 In (mue-X))2 (X= Cl, Br, I)","Inorganic Chemistry","1976","15","","2920","2927","","","","","","","","","","","","","","","","","","","","","","has coordinates","140784","2020-10-21","18:00:00",""
"4343589","8.588","","8.588","","11.918","","90","","90","","120","","761.234","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Xe (O Se F5)2","","- F10 O2 Se2 Xe -","- F9.99 O1.998 Se2 Xe -","- F29.97 O5.994 Se6 Xe3 -","3","0.0833333","","Templeton, L.K.; Templeton, D.H.; Seppelt, K.; Bartlett, N.","Crystal and molecular structure of xenon bis (oxopentafluoroselenate(VI) Xe (O Se F5)2","Inorganic Chemistry","1976","15","","2718","2720","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343590","10.3","","16.61","","9.98","","90","","114.14","","90","","1558.09","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","U (O Te F5)6","","- F30 O6 Te6 U -","- F30 O6 Te6 U -","- F60 O12 Te12 U2 -","2","0.25","","Templeton, L.K.; Templeton, D.H.; Seppelt, K.; Bartlett, N.","Crystal and molecular structure of uranium hexakis(oxopentafluoro-tellurate), U (O Te F5)6","Inorganic Chemistry","1976","15","","2720","2722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343592","7.248","","7.248","","7.248","","90","","90","","90","","380.763","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Yb2 Ru H6","","- H6 Ru Yb2 -","- Ru Yb2 -","- Ru4 Yb8 -","4","0.0208333","","Lindsay, R.; Moyer, R.O.; Thompson, J.; Kuhn, D.","Preparation, structure, and properties of ytterbium ruthenium hydride","Inorganic Chemistry","1976","15","","3050","3053","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344108","7.392","","7.392","","13.871","","90","","90","","120","","656.391","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","Ce K (Fe (C N)6) (H2 O)4","","- C6 H8 Ce Fe K N6 O4 -","- C6 Ce Fe K N6 O4 -","- C12 Ce2 Fe2 K2 N12 O8 -","2","0.166667","","Mullica, D.F.; Milligan, W.O.; Oliver, J.D.","Refined structure of Ce K Fe C N6 H2 O4","Inorganic and Nuclear Chemistry Letters","1979","15","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344109","10.308","","10.308","","10.308","","90","","90","","90","","1095.28","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Fe4 (Co (C N)6)2.667 (H2 O)16","","- C16.002 H32 Co2.667 Fe4 N16.002 O16 -","- C16.0008 Co2.6668 Fe4 N16.0008 O15.9988 -","- C16.0008 Co2.6668 Fe4 N16.0008 O15.9988 -","1","0.00520833","","Mullica, D.F.; Oliver, J.D.; Milligan, W.O.; Hills, F.W.","Ferrous hexacyanocobaltate dodecahydrate","Inorganic and Nuclear Chemistry Letters","1979","15","","361","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","155571","2020-10-21","18:00:00",""
"4344255","7.358","","7.358","","13.78","","90","","90","","120","","646.1","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","Nd K (Fe (C N)6) (H2 O)4","","- C6 H8 Fe K N6 Nd O4 -","- C6 Fe K0.98 N6 Nd O3.98 -","- C12 Fe2 K1.96 N12 Nd2 O7.96 -","2","0.166667","","Milligan, W.O.; Perkins, H.O.; Mullica, D.F.","The structural analysis of Nd K Fe (CN)6 * 4(H2 O)","Inorganic and Nuclear Chemistry Letters","1979","15","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344307","7.176","","7.051","","10.453","","90","","103.96","","90","","513.279","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sn2 (O H) P O4","","- H O5 P Sn2 -","- O5 P Sn2 -","- O20 P4 Sn8 -","4","1","","Jordan, T.H.; Schroeder, L.W.; Dickens, B.; Brown, W.E.","Crystal Structure of Stannous Hydroxide Phosphate, a Reaction Product of Stannous Fluoride and Apatite","Inorganic Chemistry","1976","15","","1810","1814","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344342","10.323","","9.285","","11.865","","77.31","","114.85","","73.84","","914.257","","","","","","","","","","","","","6","P -1","-P 1","2","","K1.75 Pt (C N)4 (H2 O)1.5","","- C4 H3 K1.75 N4 O1.5 Pt -","- C4 H3 K1.75 N4 O1.5 Pt -","- C16 H12 K7 N16 O6 Pt4 -","4","2","","Reis, A.H.jr.; Peterson, S.W.; Miller, J.S.; Washecheck, D.M.","The Nature of the Pt Chain Distortion in the Partially Oxidized One-Dimensional Complex, K1.75 Pt (C N)4 (H2 O)1.5","Inorganic Chemistry","1976","15","","2455","2462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344508","16.591","","12.455","","17.214","","90","","108.1","","90","","3381.09","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Br2 Sn2 (Mn (C O)5)4","","- C20 Br2 Mn4 O20 Sn2 -","- C20 Br2 Mn4 O20 Sn2 -","- C80 Br8 Mn16 O80 Sn8 -","4","1","","Spek, A.L.; Bos, K.D.; Noltes, J.G.; Bulten, E.J.","Crystal and molecular structure of 1.1.2.2-tetrakis(pentacarbonyl-manganio)-1.2-dibromoditin, a transition metal substituted di-Tin-compound","Inorganic Chemistry","1976","15","","339","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","173049","2020-10-21","18:00:00",""
"4344509","7.337","","8.545","","36.03","","90","","91.52","","90","","2258.09","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Te2 Se8 (As F6)2) (S O2)","","- As2 F12 O2 S Se8 Te2 -","- As2 F12 O2 S Se8 Te2 -","- As8 F48 O8 S4 Se32 Te8 -","4","1","","Boldrini, P.; Ireland, P.R.; Brown, I.; Luk, W.C.; Gillespie, R.J.; Slim, D.R.; Vekris, J.E.","Preparation and crystal structures of ditellurium octaselenium bis(hexafluoroarsenate)-sulfur dioxide, Te2 Se8 (As F6)2 S O2 and tetratellurium hexaselenium- bis(hexafluoroarsenate), Te3.7 Se6.3 (As F6)2","Inorganic Chemistry","1976","15","","765","770","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344510","9.217","","6.498","","19.719","","90","","97.69","","90","","1170.39","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- B13 H19 -","- B13 H19 -","- B52 H76 -","4","1","","Huffman, J.C.; Moody, D.C.; Schaeffer, R.","Studies of boranes. XLV. Crystal and molecular structure, improved synthesis, and reactions of tridecaborane(19)","Inorganic Chemistry","1976","15","","227","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344511","14.84","","10.828","","13.345","","90","","90","","90","","2144.38","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Te3.66 Se6.22 (As F6)2","","- As2 F12 Se6.22 Te3.66 -","- As2 F12 Se6.22 Te3.66 -","- As8 F48 Se24.88 Te14.64 -","4","0.5","","Boldrini, P.; Brown, I.; Vekris, J.E.; Ireland, P.R.; Gillespie, R.J.; Slim, D.R.; Luk, W.C.","Preparation and crystal structures of ditellurium octaselenium bis(hexafluoroarsenate)-sulfur dioxide, Te2 Se8 (As F6)2 S O2, and tetratellurium hexaselenium bis(hexafluoroarsenate), Te3.7 Se6.3 (As F6)2","Inorganic Chemistry","1976","15","","765","770","","","","","","","","","","","","","","","","","","","","","","has coordinates","173163","2020-10-21","18:00:00",""
"4344523","13.426","","11.848","","6.956","","90","","90","","90","","1106.5","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","K2 (Pt (C N)4) (H2 O)3","","- C4 H6 K2 N4 O3 Pt -","- C4 H6 K2 N4 O3 Pt -","- C16 H24 K8 N16 O12 Pt4 -","4","0.5","","Washecheck, D.M.; Reis, A.H.jr.; Peterson, S.; Williams, J.M.","Crystal and molecular structure by neutron diffraction of potassium tetracyanoplatinate(II) trihydrate, the starting product for partially oxidized conducting cyanoplatinate salts","Inorganic Chemistry","1976","15","","74","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344526","8.747","","8.747","","8.167","","90","","90","","90","","624.857","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","(V O) (Si P2 O8)","","- O9 P2 Si V -","- O9 P2 Si V -","- O36 P8 Si4 V4 -","4","0.25","","Rice, C.E.; Robinson, W.R.; Tofield, B.C.","Crystal structure of a condensed phosphatosilicate, oxovanadium(IV)-diphosphatomonosilicate, V O (Si P2 O8)","Inorganic Chemistry","1976","15","","345","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344530","9.436","","6.338","","7.679","","90","","115.8","","90","","413.467","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na Zn2 (O H) (Mo O4)2 (H2 O)","","- H3 Mo2 Na O10 Zn2 -","- Mo2 Na O10 Zn2 -","- Mo4 Na2 O20 Zn4 -","2","0.25","","Clearfield, A.; Sims, M.; Gopal, R.","Studies in heavy-metal molybdates. I. Crystal structure of a basic zinc molybdate, Na Zn2 O H (H2 O) (Mo O4)2","Inorganic Chemistry","1976","15","","335","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4507419","9.2552","0.0008","10.3088","0.0009","20.2933","0.0019","90","","90","","90","","1936.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5c","anti-12-Hydroxy-4-tert-butyl-6-methyl-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0568","0.0506","","","0.1435","0.1509","","","","","","1.039","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507420","7.4316","0.0003","22.6244","0.0009","10.7533","0.0004","90","","90","","90","","1808.01","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5d","anti-12-Hydroxy-4-phenyl-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C22 H19 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.1223","0.1096","","","0.1631","0.1692","","","","","","1.226","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507421","7.9958","0.0002","10.2771","0.0002","22.7057","0.0005","90","","90","","90","","1865.81","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 5e","anti-12-Hydroxy-4-tert-butyl-10,11-benzo-16-oxa-5-thia-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C20 H23 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0281","0.0277","","","0.082","0.0834","","","","","","0.618","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507422","5.373","0.0009","9.8442","0.0016","13.799","0.002","72.286","0.008","89.897","0.008","89.973","0.008","695.26","0.19","296","2","296","2","","","","","","","","4","P 1","P 1","1","compound 5a","anti-12-Hydroxy-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","2","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0548","0.0379","","","0.1252","0.1395","","","","","","0.604","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507423","7.2733","0.0002","11.3442","0.0004","22.914","0.0007","90","","90","","90","","1890.63","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 7d","syn-4-Hydroxy-12-phenyl-2,3-benzo-8,13-dioxa-1,11-diazatetracyclo [7.7.01,9.0^5,9^.0^11,15^]hexadeca-2,6-diene-10,16-dione","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0637","0.0449","","","0.1073","0.1173","","","","","","1.03","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507424","8.9205","0.0002","12.2652","0.0003","15.6666","0.0004","90","","90","","90","","1714.11","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 8b","anti-1-Hydroxy-5,10-dioxa-8,14-diaza-11-methyl- hexacyclo[13.6.1.0^2,6^.0^6,14^.0^8,12^.0^19,22^]doeicos- 3,15,17,19(22)-tetraene-7,13-dione","","- C19 H17 N2 O5 -","- C19 H18 N2 O5 -","- C76 H72 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.045","0.0449","","","0.184","0.1846","","","","","","0.885","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507425","8.4613","0.0001","11.7986","0.0002","17.321","0.0003","90","","90","","90","","1729.18","0.05","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 10b","syn-1-Hydroxy-10-methyl-9,23-dioxa-7,13-diazahexacyclo [12.7.1.1.0^5,13^.0^7,11^.0^18,22^]trieicos-3,14,16,18(22)-tetraene-6,12-dione","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0268","0.0264","","","0.0746","0.0754","","","","","","0.933","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507426","7.1189","0.0001","7.5252","0.0001","8.242","0.0001","104.816","0.001","115.534","0.001","96.832","0.001","371.632","0.01","296","2","296","2","","","","","","","","4","P 1","P 1","1","Compound 1c","(2R,4S,5R)-2-tert-Butyl-3-(furan-2-carbonyl)-5- methyloxazolidine-4-carboxylic acid","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C14 H19 N O5 -","1","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0348","0.0347","","","0.0915","0.092","","","","","","0.99","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507427","8.8621","0.0004","9.5987","0.0004","20.0726","0.0008","90","","90","","90","","1707.47","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","syn-1-Hydroxy-9-thia-23-oxa-7,13-diaza- hexacyclo[12.7.1.12,5.05,13.07,11.018,22]trieicos- 3,14,16,18(22)-tetraene-6,12-dione","compound 10f","","- C19 H18 N2 O4 S -","- C18.993 H18 N2 O4 S -","- C75.972 H72 N8 O16 S4 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0312","0.0307","","","0.0814","0.0825","","","","","","1.014","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507428","7.942","0.005","9.763","0.007","12.245","0.009","93.077","0.011","95.394","0.011","108.561","0.012","892.6","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H13 Cl N2 O3 S -","- C20 H13 Cl N2 O3 S -","- C40 H26 Cl2 N4 O6 S2 -","2","1","","Zhao, Yongmei; Dai, Qiaoling; Chen, Zhi; Zhang, Qihui; Bai, Yongcheng; Ma, Chen","One Pot Regioselective Synthesis of a Small Library of Dibenzo[b,f][1,4]thiazepin-11(10H)-ones via Smiles Rearrangement.","ACS combinatorial science","2013","15","2","130","134","10.1021/co300139s","","","0.71073","MoKα","","0.0708","0.0478","","","0.1374","0.1539","","","","","","1.05","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507429","28.65","0.002","10.0714","0.0012","19.8284","0.0017","90","","114.854","0.002","90","","5191.5","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C256 H240 N16 O16 -","8","1","","Fu, Li-Ping; Shi, Qing-Qing; Shi, Yu; Jiang, Bo; Tu, Shu-Jiang","Three-Component Domino Reactions for Regioselective Formation of Bis-indole Derivatives.","ACS combinatorial science","2013","15","2","135","140","10.1021/co3001428","","","0.71073","MoKα","","0.1218","0.0471","","","0.0647","0.074","","","","","","0.987","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507430","13.3429","0.0014","22.031","0.002","10.8285","0.001","90","","112.944","0.001","90","","2931.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 F N2 O -","- C37 H31 F N2 O -","- C148 H124 F4 N8 O4 -","4","1","","Fu, Li-Ping; Shi, Qing-Qing; Shi, Yu; Jiang, Bo; Tu, Shu-Jiang","Three-Component Domino Reactions for Regioselective Formation of Bis-indole Derivatives.","ACS combinatorial science","2013","15","2","135","140","10.1021/co3001428","","","0.71073","MoKα","","0.1555","0.057","","","0.0748","0.0856","","","","","","0.993","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507766","7.663","0.002","8.714","0.003","28.376","0.009","90","","93.862","0.005","90","","1890.5","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F3 N2 O3 -","- C20 H17 F3 N2 O3 -","- C80 H68 F12 N8 O12 -","4","1","","Lv, Longyun; Zheng, Sichao; Cai, Xiaotie; Chen, Zhipeng; Zhu, Qiuhua; Liu, Shuwen","Development of four-component synthesis of tetra- and pentasubstituted polyfunctional dihydropyrroles: free permutation and combination of aromatic and aliphatic amines.","ACS combinatorial science","2013","15","4","183","192","10.1021/co300148c","","","0.71073","MoKα","","0.1808","0.0792","","","0.1854","0.2424","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507878","9.037","0.003","19.075","0.005","13.32","0.004","90","","98.377","0.005","90","","2271.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Mehta, Saurabh; Waldo, Jesse P.; Neuenswander, Benjamin; Lushington, Gerald H.; Larock, Richard C.","Solution-Phase Parallel Synthesis of a Multisubstituted Cyclic Imidate Library","ACS Combinatorial Science","2013","15","5","247","","10.1021/co3001605","","","0.71073","MoKα","","0.0741","0.0488","","","0.1141","0.1278","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507879","11.5599","0.0011","11.5774","0.0012","11.8719","0.0012","87.024","0.007","84.869","0.007","60.309","0.006","1374.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N5 O5 -","- C28 H33 N5 O5 -","- C56 H66 N10 O10 -","2","1","","Li, Chao; Mu, Xing-Ye; Li, Yu-Ling; Liu, Yun; Wang, Xiang-Shan","Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions","ACS Combinatorial Science","2013","15","5","267","","10.1021/co400020w","","","0.71073","MoKα","","0.088","0.0517","","","0.1354","0.156","","","","","","1.02","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507880","10.7946","0.0003","11.2049","0.0004","12.5004","0.0004","94.181","0.002","97.556","0.002","112.765","0.002","1369.33","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N5 O6 -","- C28 H31 N5 O6 -","- C56 H62 N10 O12 -","2","1","","Li, Chao; Mu, Xing-Ye; Li, Yu-Ling; Liu, Yun; Wang, Xiang-Shan","Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions","ACS Combinatorial Science","2013","15","5","267","","10.1021/co400020w","","","0.71073","MoKα","","0.1166","0.0614","","","0.1467","0.1735","","","","","","1.009","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4508107","8.7517","0.0054","13.6019","0.0083","14.2104","0.0085","103.154","0.01","107.059","0.01","92.307","0.01","1564.3","1.7","110","2","110","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C76 H64 N16 -","4","2","","Val, Cristina; Crespo, Abel; Yaziji, Vicente; Coelho, Alberto; Azuaje, Jhonny; El Maatougui, Abdelaziz; Carbajales, Carlos; Sotelo, Eddy","Three-Component Assembly of Structurally Diverse 2-Aminopyrimidine-5-carbonitriles","ACS Combinatorial Science","2013","15","7","370","","10.1021/co4000503","","x-ray","0.7107","MoKα","","0.095","0.059","","","0.1487","0.1747","","","","","","0.973","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508108","13.2429","0.001","15.8911","0.0011","22.1933","0.0015","90","","90","","90","","4670.5","0.6","176","2","176","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27.5 H33 N3 O3 -","- C25 H27 N3 O3 -","- C200 H216 N24 O24 -","8","2","","Granger, Brett A.; Wang, Zhiqian; Kaneda, Kyosuke; Fang, Zhenglai; Martin, Stephen F.","Multicomponent Assembly Processes for the Synthesis of DiverseYohimbineandCorynantheAlkaloid Analogues","ACS Combinatorial Science","2013","15","7","379","","10.1021/co400055b","","","0.71075","MoKα","","0.1113","0.0721","","","0.1599","0.1709","","","","","","1.204","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508354","6.3864","0.0013","14.638","0.003","16.774","0.003","90","","97.37","0.03","90","","1555.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl N2 -","- C20 H14 Cl N2 -","- C80 H56 Cl4 N8 -","4","1","","Yang, Kai; Xiang, Jinbao; Bao, Guochen; Dang, Qun; Bai, Xu","Synthesis of Highly Substituted 4H-Pyrido[1,2-a]pyrimidines via a One-Pot Three-Component Condensation Reaction.","ACS combinatorial science","2013","15","9","519","524","10.1021/co400086u","","","0.71073","MoKα","","0.1006","0.0827","","","0.2172","0.2296","","","","","","1.093","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508359","4.65","0.004","13.822","0.011","21.585","0.017","90","","90","","90","","1387","2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 S3 -","- C11 H12 N2 O3 S3 -","- C44 H48 N8 O12 S12 -","4","1","","Shestopalov, Anatoliy M.; Larionova, Natalia A.; Fedorov, Alexander E.; Rodinovskaya, Lyudmila A.; Mortikov, Valery Yu.; Zubarev, Andrey A.; Bushmarinov, Ivan S.","Synthesis of Isomeric Isothiazolo[4′,3′:4,5]- and Isothiazolo[4′,5′:4,5]thieno[3,2-b]pyrano[2,3-d]pyridines by Combination of Domino Reactions","ACS Combinatorial Science","2013","15","10","541","","10.1021/co400066y","","","0.71073","MoKα","","0.141","0.059","","","0.0951","0.1193","","","","","","0.968","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508360","23.16","0.005","4.6826","0.0011","13.811","0.003","90","","99.849","0.016","90","","1475.7","0.6","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 S3 -","- C11 H12 N2 O3 S3 -","- C44 H48 N8 O12 S12 -","4","1","","Shestopalov, Anatoliy M.; Larionova, Natalia A.; Fedorov, Alexander E.; Rodinovskaya, Lyudmila A.; Mortikov, Valery Yu.; Zubarev, Andrey A.; Bushmarinov, Ivan S.","Synthesis of Isomeric Isothiazolo[4′,3′:4,5]- and Isothiazolo[4′,5′:4,5]thieno[3,2-b]pyrano[2,3-d]pyridines by Combination of Domino Reactions","ACS Combinatorial Science","2013","15","10","541","","10.1021/co400066y","","","1.54178","CuKα","","0.0927","0.0593","","","0.1511","0.171","","","","","","1.017","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508361","8.6381","0.0008","10.9354","0.001","12.3989","0.0012","90","","100.365","0.002","90","","1152.1","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N4 O2 -","- C25 H30 N4 O2 -","- C50 H60 N8 O4 -","2","1","","Hsiao, Ya-Shan; Narhe, Bharat D.; Chang, Ying-Sheng; Sun, Chung-Ming","One-Pot, Two-Step Synthesis of Imidazo[1,2-a]benzimidazoles via A Multicomponent [4 + 1] Cycloaddition Reaction","ACS Combinatorial Science","2013","15","10","551","","10.1021/co400075z","","","0.71073","MoKα","","0.111","0.0541","","","0.1087","0.1313","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510602","9.8991","0.001","9.8991","0.001","19.413","0.002","90","","90","","90","","1902.3","0.3","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C21 H17 N O3 S -","- C21 H17 N O3 S -","- C84 H68 N4 O12 S4 -","4","1","","Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies.","ACS combinatorial science","2013","15","6","298","308","10.1021/co400022r","","","1.54178","CuKα","","0.0384","0.034","","","0.0983","0.1043","","","","","","0.744","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510603","11.1316","0.0003","7.8164","0.0002","14.689","0.0004","90","","97.406","0.002","90","","1267.41","0.06","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N O2.5 S2 -","- C12 H12 N O2.5 S2 -","- C48 H48 N4 O10 S8 -","4","2","","Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies.","ACS combinatorial science","2013","15","6","298","308","10.1021/co400022r","","","1.54178","CuKα","","0.0432","0.0405","","","0.112","0.1187","","","","","","0.894","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512408","20.904","0.005","21.12","0.005","10.519","0.002","90","","111.243","0.003","90","","4328.5","1.7","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","C60 . 2 S8 (alpha, 293 K)","","","- C60 S16 -","- C60 S16 -","- C240 S64 -","4","0.5","","Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.","New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs","Crystal Growth & Design","2015","15","1","404","","10.1021/cg501486x","","","0.71073","MoKα","","0.0885","0.0754","","","0.2083","0.2218","","","","","","1.051","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512409","10.365","0.002","14.694","0.003","29","0.007","84.122","0.003","84.602","0.003","75.664","0.003","4245.9","1.6","90","2","90","2","","","","","","","","2","P -1","-P 1","2","C60 . 2 S8 (beta, 90 K)","","","- C60 S16 -","- C60 S16 -","- C240 S64 -","4","2","","Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.","New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs","Crystal Growth & Design","2015","15","1","404","","10.1021/cg501486x","","","0.71073","MoKα","","0.0414","0.0362","","","0.0908","0.0938","","","","","","1.021","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512410","16.1733","0.0009","15.8931","0.0009","18.5781","0.001","90","","113.302","0.002","90","","4385.9","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C60 . 2 S8 (gamma, 293 K)","","","- C60 S16 -","- C60 S16 -","- C240 S64 -","4","1","","Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.","New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs","Crystal Growth & Design","2015","15","1","404","","10.1021/cg501486x","","","0.71073","MoKα","","0.086","0.0702","","","0.1969","0.2123","","","","","","1.043","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512411","16.1355","0.0006","15.7332","0.0006","18.3535","0.0007","90","","113.283","0.002","90","","4279.8","0.3","90","2","90","2","","","","","","","","2","P 1 c 1","P -2yc","7","C60 . 2 S8 (delta, 90 K)","","","- C60 S16 -","- C60 S16 -","- C240 S64 -","4","2","","Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.","New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs","Crystal Growth & Design","2015","15","1","404","","10.1021/cg501486x","","","0.71073","MoKα","","0.0274","0.0269","","","0.0728","0.0732","","","","","","1.046","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512412","4.7315","0.0012","45.263","0.012","7.929","0.002","90","","106.911","0.003","90","","1624.7","0.7","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl2 N4 O4 -","- C38 H32 Cl2 N4 O4 -","- C76 H64 Cl4 N8 O8 -","2","0.5","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.0567","0.0493","","","0.1054","0.1086","","","","","","1.142","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512413","9.8384","0.0011","10.3962","0.0011","25.015","0.003","84.632","0.002","81.353","0.002","71.679","0.002","2398.4","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 F6 N4 O4 -","- C38 H28 F6 N4 O4 -","- C114 H84 F18 N12 O12 -","3","1.5","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.1139","0.0583","","","0.1408","0.1669","","","","","","1.019","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512414","7.3302","0.0004","8.6992","0.0005","13.6719","0.0008","106.276","0.001","99.368","0.001","98.738","0.001","807.55","0.08","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N4 O4 -","- C40 H38 N4 O4 -","- C40 H38 N4 O4 -","1","0.5","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.0476","0.0406","","","0.1088","0.1137","","","","","","1.05","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512415","7.7606","0.0005","9.7575","0.0006","20.0638","0.0012","98.293","0.001","92.423","0.001","104.594","0.001","1450.01","0.16","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 N4 O4 -","- C36 H30 N4 O4 -","- C72 H60 N8 O8 -","2","1","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.0758","0.0438","","","0.096","0.1084","","","","","","1.017","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512416","26","0.004","6.7394","0.001","19.854","0.003","90","","111.386","0.002","90","","3239.4","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 F6 N6 O4 -","- C36 H26 F6 N6 O4 -","- C144 H104 F24 N24 O16 -","4","0.5","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.0567","0.0423","","","0.1026","0.1115","","","","","","1.031","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512417","7.59","0.003","11.339","0.005","15.138","0.006","76.868","0.014","89.863","0.013","75.754","0.013","1227.8","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H52 N10 O10 -","- C56 H52 N10 O10 -","- C56 H52 N10 O10 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.1793","0.067","","","0.1546","0.1899","","","","","","0.897","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512418","8.435","0.002","10.432","0.003","13.287","0.004","81.612","0.007","75.381","0.007","87.175","0.007","1119.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H44 N10 O10 -","- C52 H44 N10 O10 -","- C52 H44 N10 O10 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.06","0.0426","","","0.1356","0.152","","","","","","1.12","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512419","10.741","0.003","11.454","0.003","14.658","0.004","96.553","0.008","97.07","0.008","111.233","0.008","1643.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H60 N10 O18 -","- C78 H60 N10 O18 -","- C78 H60 N10 O18 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.1215","0.0662","","","0.1684","0.1937","","","","","","1.049","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512420","10.635","0.004","11.379","0.004","14.71","0.005","97.52","0.011","97.062","0.012","109.545","0.011","1636.4","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O18 -","- C62 H50 N10 O18 -","- C62 H50 N10 O18 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.1557","0.0697","","","0.1689","0.1953","","","","","","0.831","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512421","10.651","0.004","11.362","0.004","14.732","0.005","96.914","0.01","96.252","0.01","110.223","0.01","1638.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H60 N10 O18 -","- C62 H50 N10 O18 -","- C62 H50 N10 O18 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.1908","0.0765","","","0.2057","0.2571","","","","","","0.85","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512422","10.625","0.003","11.428","0.003","14.773","0.004","97.149","0.008","96.088","0.007","110.626","0.007","1643.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H59 N10 O19 -","- C77 H59 N10 O19 -","- C77 H59 N10 O19 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.078","0.0596","","","0.1889","0.2005","","","","","","1.431","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512425","29.862","0.005","29.862","0.005","29.862","0.005","90","","90","","90","","26629","8","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ni51.17 Sn103.63 Tb117 -","- Ni51.136 Sn103.574 Tb117 -","- Ni204.544 Sn414.296 Tb468 -","4","0.0208333","","Reyes, Luis E.; McDougald, Roy N.; McCandless, Gregory T.; Khan, Mojammel; Young, David P.; Chan, Julia Y.","Eutectoid Flux Growth and Physical Properties of Single Crystal Ln117Ni54‒ySn112‒z(Ln = Gd‒Dy)","Crystal Growth & Design","2015","15","1","295","","10.1021/cg501364h","","","0.71073","MoKα","","0.0365","0.0353","","","0.1264","0.127","","","","","","3.492","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512426","29.823","0.004","29.823","0.004","29.823","0.004","90","","90","","90","","26525","6","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Dy117 Ni52.62 Sn112 -","- Dy117 Ni52.614 Sn112 -","- Dy467.998 Ni210.456 Sn448 -","4","0.0208333","","Reyes, Luis E.; McDougald, Roy N.; McCandless, Gregory T.; Khan, Mojammel; Young, David P.; Chan, Julia Y.","Eutectoid Flux Growth and Physical Properties of Single Crystal Ln117Ni54‒ySn112‒z(Ln = Gd‒Dy)","Crystal Growth & Design","2015","15","1","295","","10.1021/cg501364h","","","0.71073","MoKα","","0.0364","0.0334","","","0.1051","0.1135","","","","","","2.641","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512427","30.07","0.004","30.07","0.004","30.07","0.004","90","","90","","90","","27189","6","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Gd117 Ni52.96 Sn107.44 -","- Gd117 Ni52.81 Sn107.428 -","- Gd468 Ni211.24 Sn429.712 -","4","0.0208333","","Reyes, Luis E.; McDougald, Roy N.; McCandless, Gregory T.; Khan, Mojammel; Young, David P.; Chan, Julia Y.","Eutectoid Flux Growth and Physical Properties of Single Crystal Ln117Ni54‒ySn112‒z(Ln = Gd‒Dy)","Crystal Growth & Design","2015","15","1","295","","10.1021/cg501364h","","","0.71073","MoKα","","0.0418","0.0376","","","0.129","0.1309","","","","","","2.539","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512428","14.596","0.003","18.269","0.004","19.118","0.004","85.26","0.03","74.4","0.03","68.06","0.03","4554","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H100 B3 La N10 O22 -","- C90 H100 B3 La N10 O22 -","- C180 H200 B6 La2 N20 O44 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.7","synchrotron","","0.0414","0.0398","","","0.116","0.1177","","","","","","1.035","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512429","14.7773","0.0009","15.2028","0.0009","23.987","0.0014","75.438","0.001","77.575","0.001","66.186","0.001","4732.2","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C94.24 H109.89 B3 N11.41 O23.41 Yb -","- C94.239 H109.891 B3 N11.413 O23.413 Yb -","- C188.478 H219.782 B6 N22.826 O46.826 Yb2 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.0486","0.0401","","","0.1032","0.1092","","","","","","1.043","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512430","14.7857","0.001","15.1728","0.0011","23.9999","0.0017","75.508","0.001","77.676","0.001","66.182","0.001","4730.3","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C92.24 H105.21 B3 N10.74 O22.75 Y -","- C92.253 H105.257 B3 N10.751 O22.751 Y -","- C184.506 H210.514 B6 N21.502 O45.502 Y2 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.0878","0.0671","","","0.1981","0.2146","","","","","","1.04","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512431","14.8384","0.0016","15.1755","0.0016","24.032","0.003","75.638","0.001","77.766","0.001","66.201","0.001","4758.3","0.9","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C94.26 H109.95 B3 N11.42 O23.42 Tb -","- C94.269 H109.961 B3 N11.423 O23.423 Tb -","- C188.538 H219.922 B6 N22.846 O46.846 Tb2 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.0458","0.0396","","","0.1051","0.1099","","","","","","1.038","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512432","11.896","0.005","28.247","0.011","24.6","0.01","90","","99.322","0.005","90","","8157","6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C85.27 H88.53 B3 Eu N8.63 O20.63 -","- C85.266 H88.532 B3 Eu N8.633 O20.633 -","- C341.064 H354.128 B12 Eu4 N34.532 O82.532 -","4","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.0499","0.0362","","","0.0934","0.1009","","","","","","1.058","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512433","14.8047","0.0008","15.1935","0.0009","24.0208","0.0014","75.477","0.001","77.533","0.001","66.128","0.001","4742.9","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C94.41 H110.29 B3 Er N11.47 O23.47 -","- C94.413 H110.297 B3 Er N11.471 O23.471 -","- C188.826 H220.594 B6 Er2 N22.942 O46.942 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.045","0.0369","","","0.09","0.0951","","","","","","1.04","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512434","15.042","0.0017","15.2159","0.0017","23.798","0.003","77.562","0.001","76.708","0.001","65.607","0.001","4783","1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H96 B3 N10 O22 Y -","- C94 H96 B3 N10 O22 Y -","- C188 H192 B6 N20 O44 Y2 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.1051","0.062","","","0.1723","0.1885","","","","","","1.022","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512435","11.563","0.005","10.35","0.005","12.463","0.005","90","","110.254","0.005","90","","1399.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N4 O3 Sn -","- C11 H16 N4 O3 Sn -","- C44 H64 N16 O12 Sn4 -","4","1","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71069","MoKα","","0.0274","0.0208","","","0.0467","0.0488","","","","","","1.068","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512436","10.4055","0.0013","12.6484","0.0016","17.386","0.002","77.482","0.002","89.515","0.003","89.422","0.003","2233.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 N8 O6 Sn2 -","- C40 H68 N8 O6 Sn2 -","- C80 H136 N16 O12 Sn4 -","2","1","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71073","MoKα","","0.0888","0.078","","","0.1782","0.1858","","","","","","1.043","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512437","9.6511","0.0004","14.2607","0.0006","22.0464","0.001","96.442","0.001","100.312","0.001","103.215","0.001","2868.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H64 N10 O11 Sn2 -","- C55 H64 N10 O11 Sn2 -","- C110 H128 N20 O22 Sn4 -","2","1","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71073","MoKα","","0.0855","0.0526","","","0.1353","0.1557","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512438","12.9349","0.0005","21.0223","0.0009","13.1337","0.0006","90","","90","","90","","3571.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H32 Cl4 N10 O6 Sn -","- C28 H32 Cl4 N10 O6 Sn -","- C112 H128 Cl16 N40 O24 Sn4 -","4","0.5","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71073","MoKα","","0.0702","0.0628","","","0.1599","0.164","","","","","","1.274","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512439","7.073","0.005","11.034","0.005","12.475","0.005","114.821","0.005","92.83","0.005","99.652","0.005","863.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl4 N10 O4 Sn -","- C30 H34 Cl4 N10 O4 Sn -","- C30 H34 Cl4 N10 O4 Sn -","1","0.5","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71069","MoKα","","0.057","0.0535","","","0.1309","0.1341","","","","","","1.1","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512440","13.601","0.002","9.2479","0.0015","20.718","0.003","90","","92.771","0.002","90","","2602.9","0.7","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C136 H80 S16 -","4","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0579","0.0501","","","0.1272","0.1354","","","","","","1.079","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512441","13.5656","0.001","9.2311","0.0005","20.7014","0.0016","90","","92.754","0.004","90","","2589.3","0.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C136 H80 S16 -","4","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0548","0.0492","","","0.112","0.1158","","","","","","1.105","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512442","9.599","0.007","13.287","0.01","25.015","0.019","90","","90","","90","","3190","4","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 S4 -","- C38 H28 S4 -","- C152 H112 S16 -","4","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0917","0.0777","","","0.1649","0.1748","","","","","","1.141","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512443","10.553","0.003","11.34","0.003","16.568","0.006","83.481","0.013","89.45","0.015","64.275","0.001","1772.9","0.9","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H20 O4 -","- C34 H20 O4 -","- C102 H60 O12 -","3","1.5","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0614","0.0459","","","0.1018","0.11","","","","","","1.066","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512444","14.386","0.004","8.452","0.002","21.794","0.005","90","","116.994","0.014","90","","2361.2","1.1","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 O4 -","- C34 H20 O4 -","- C136 H80 O16 -","4","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0563","0.046","","","0.1242","0.136","","","","","","1.063","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512445","8.5037","0.0018","13.244","0.002","14.277","0.003","62.458","0.008","80.781","0.011","74.581","0.01","1373.1","0.5","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H28 O4 -","- C38 H28 O4 -","- C76 H56 O8 -","2","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0582","0.045","","","0.102","0.111","","","","","","1.028","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512446","8.338","0.002","24.218","0.004","34.991","0.004","90","","91.43","0.03","90","","7064","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate 4.28-hydrate","","- C33 H54.26 N5 O16.28 -","- C33 H40.5 N5 O16.2838 -","- C264 H324 N40 O130.27 -","8","4","","Białońska, Agata; Ciunik, Zbigniew","Dielectrically Controlled Priority of Interactions in Molecular Recognition","Crystal Growth & Design","2015","15","1","358","","10.1021/cg501456n","","","0.71073","MoKα","","0.2242","0.0964","","","0.1836","0.2227","","","","","","0.928","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512447","12.488","0.003","9.092","0.002","31.175","0.004","90","","97.39","0.03","90","","3510.2","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate methanol 0.5-solvate 2.125-hydrate","","- C33.5 H41.25 N5 O14.62 -","- C33.5 H41 N5.0005 O14.626 -","- C134 H164 N20.002 O58.504 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Dielectrically Controlled Priority of Interactions in Molecular Recognition","Crystal Growth & Design","2015","15","1","358","","10.1021/cg501456n","","","0.71073","MoKα","","0.2166","0.0544","","","0.0798","0.1084","","","","","","0.766","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512448","20.962","0.003","7.304","0.002","21.824","0.003","90","","114.79","0.03","90","","3033.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-L-serinate brucine 11.5-hydrate","","- C56 H88.5 N7 O27.5 -","- C56 H84.002 N7 O27.501 -","- C112 H168.004 N14 O55.002 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Dielectrically Controlled Priority of Interactions in Molecular Recognition","Crystal Growth & Design","2015","15","1","358","","10.1021/cg501456n","","","0.71073","MoKα","","0.2028","0.0548","","","0.0642","0.0857","","","","","","0.766","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512449","9.0851","0.0005","12.8719","0.0004","12.9349","0.0006","100.258","0.003","90.572","0.004","93.606","0.004","1485.17","0.12","216","2","216","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 N2 O8 -","- C24 H46 N2 O8 -","- C48 H92 N4 O16 -","2","1","","Tang, Yuanyuan; Sun, Zhihua; Ji, Chengmin; Li, Lina; Zhang, Shuquan; Chen, Tianliang; Luo, Junhua","Hydrogen-Bonded Displacive-Type Ferroelastic Phase Transition in a New Entangled Supramolecular Compound","Crystal Growth & Design","2015","15","1","457","","10.1021/cg501529f","","","0.71073","MoKα","","0.1022","0.078","","","0.223","0.2459","","","","","","1.055","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512450","16.6386","0.0009","19.8615","0.001","9.0962","0.0005","90","","92.422","0.004","90","","3003.3","0.3","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C96 H184 N8 O32 -","8","1","","Tang, Yuanyuan; Sun, Zhihua; Ji, Chengmin; Li, Lina; Zhang, Shuquan; Chen, Tianliang; Luo, Junhua","Hydrogen-Bonded Displacive-Type Ferroelastic Phase Transition in a New Entangled Supramolecular Compound","Crystal Growth & Design","2015","15","1","457","","10.1021/cg501529f","","","0.71073","MoKα","","0.1059","0.0656","","","0.1632","0.188","","","","","","1.046","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512461","23.711","","24.389","","25.303","","90","","90","","90","","14632.4","","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H61 La2 Mn N6 O53 V13 -","- C18 H42 La2 Mn N6 O53 V13 -","- C144 H336 La16 Mn8 N48 O424 V104 -","8","1","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.0831","0.0567","","","0.1584","0.1772","","","","","","0.994","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512462","13.0427","0.0007","22.8795","0.0012","22.2207","0.0011","90","","97.357","0.001","90","","6576.3","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 La2 Mn N4 O62 V13 -","- C24 H16 La2 Mn N4 O62 V13 -","- C96 H64 La8 Mn4 N16 O248 V52 -","4","1","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.0403","0.0295","","","0.0773","0.0869","","","","","","1.04","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512463","13.021","0.003","22.787","0.005","22.153","0.004","90","","97.44","0.03","90","","6518","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 Ce2 Mn N4 O62 V13 -","- C24 H16 Ce2 Mn N4 O62 V13 -","- C96 H64 Ce8 Mn4 N16 O248 V52 -","4","1","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.1021","0.0639","","","0.1258","0.1397","","","","","","1.034","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512464","14.379","0.003","22.686","0.005","23.782","0.005","89.45","0.03","80.52","0.03","77.84","0.03","7478","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7.5 H42.5 Ce2 Mn N2.5 O53 V13 -","- C7.5 H17.5 Ce2 Mn N2.5 O53 V13 -","- C30 H70 Ce8 Mn4 N10 O212 V52 -","4","2","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.1119","0.0785","","","0.2068","0.2277","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512465","12.619","0.003","19.525","0.004","21.983","0.004","90","","95.07","0.03","90","","5395","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C3 H33 K2 Mn N Nd O51 V13 -","- C3 K2 Mn N Nd O51 V13 -","- C12 K8 Mn4 N4 Nd4 O204 V52 -","4","1","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.0955","0.0659","","","0.1494","0.1625","","","","","","1.033","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512466","12.959","0.003","21.707","0.004","21.853","0.004","86.36","0.03","83.99","0.03","86.79","0.03","6094","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H41 Mn N1.5 O56.5 Pr1.5 V13 -","- C9 H6 Mn N1.5 O56.5 Pr1.5 V13 -","- C36 H24 Mn4 N6 O226 Pr6 V52 -","4","2","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.1345","0.0893","","","0.1948","0.2204","","","","","","0.914","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512467","12.6227","0.0008","24.6013","0.0016","32.699","0.002","90","","99.702","0.002","90","","10008.9","1.1","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 Mn3 N26 O13 W2 -","- C76 H76 Mn3 N26 O13 W2 -","- C304 H304 Mn12 N104 O52 W8 -","4","0.5","","Yang, Fei-Lin; Yuan, Ai-Hua; Zhou, Hu; Zhou, Hong-Bo; Yang, Dan; Song, You; Li, Yi-Zhi","Syntheses, Structures, and Magnetic Properties of Three Manganese(II)-Octacyanotungstate(V) Bimetallic Compounds with Linear Ligands","Crystal Growth & Design","2015","15","1","176","","10.1021/cg501128n","","","0.71073","MoKα","","0.0602","0.0548","","","0.1377","0.139","","","","","","1.054","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512468","10.6761","0.0013","16.1012","0.0015","18.0131","0.0015","103.521","0.003","106.261","0.002","108.668","0.003","2632.1","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H68 Mn3 N40 O10 W2 -","- C76 H68 Mn3 N40 O10 W2 -","- C76 H68 Mn3 N40 O10 W2 -","1","0.5","","Yang, Fei-Lin; Yuan, Ai-Hua; Zhou, Hu; Zhou, Hong-Bo; Yang, Dan; Song, You; Li, Yi-Zhi","Syntheses, Structures, and Magnetic Properties of Three Manganese(II)-Octacyanotungstate(V) Bimetallic Compounds with Linear Ligands","Crystal Growth & Design","2015","15","1","176","","10.1021/cg501128n","","","0.71073","MoKα","","0.0522","0.0503","","","0.1238","0.1244","","","","","","1.072","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512469","13.6349","0.0012","34.8022","0.0013","12.2471","0.0011","90","","102.085","0.002","90","","5682.8","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H86 Mn3 N50 O8 W2 -","- C100 H86 Mn3 N50 O8 W2 -","- C200 H172 Mn6 N100 O16 W4 -","2","0.5","","Yang, Fei-Lin; Yuan, Ai-Hua; Zhou, Hu; Zhou, Hong-Bo; Yang, Dan; Song, You; Li, Yi-Zhi","Syntheses, Structures, and Magnetic Properties of Three Manganese(II)-Octacyanotungstate(V) Bimetallic Compounds with Linear Ligands","Crystal Growth & Design","2015","15","1","176","","10.1021/cg501128n","","","0.71073","MoKα","","0.0588","0.0565","","","0.1458","0.1468","","","","","","1.088","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512470","21.6854","0.0009","29.7276","0.0011","34.8286","0.0014","90","","96.342","0.001","90","","22315","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C138 H258 Mo24 N6 O98 P2 Zn8 -","- C138 H238 Mo24 N6 O92 P2 Zn8 -","- C552 H952 Mo96 N24 O368 P8 Zn32 -","4","1","","Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne","Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands","Crystal Growth & Design","2015","15","1","449","","10.1021/cg501524a","","","0.71073","MoKα","","0.128","0.0637","","","0.1097","0.133","","","","","","1.067","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512471","37.903","0.003","20.749","0.0016","24.389","0.002","90","","90","","90","","19181","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C60 H98 Mo12 N8 O43 P Zn4 -","- C60 H81 Mo12 N8 O43.5 P Zn4 -","- C480 H648 Mo96 N64 O348 P8 Zn32 -","8","1","","Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne","Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands","Crystal Growth & Design","2015","15","1","449","","10.1021/cg501524a","","","0.71073","MoKα","","0.1792","0.0695","","","0.1598","0.1941","","","","","","1.001","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512472","26.48","0.003","26.845","0.003","27.075","0.003","71.282","0.002","68.629","0.003","63.698","0.002","15772","3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H136 Mo12 N7 O50 P Zn4 -","- C20 H12.3333 Mo12 N4 O44 P Zn4 -","- C120 H74 Mo72 N24 O264 P6 Zn24 -","6","3","","Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne","Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands","Crystal Growth & Design","2015","15","1","449","","10.1021/cg501524a","","","0.71073","MoKα","","0.1173","0.061","","","0.1485","0.1711","","","","","","0.915","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512473","26.362","0.015","15.478","0.01","27.341","0.018","90","","102.221","0.016","90","","10903","12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H138 Mo12 N7 O50 P Zn4 -","- C70 H124 Mo12 N7 O44 P Zn4 -","- C280 H496 Mo48 N28 O176 P4 Zn16 -","4","1","","Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne","Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands","Crystal Growth & Design","2015","15","1","449","","10.1021/cg501524a","","","0.71073","MoKα","","0.1561","0.0572","","","0.1165","0.1516","","","","","","1.027","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512474","7.3489","0.001","7.3489","0.001","12.642","0.004","90","","90","","120","","591.3","0.2","296","2","296","2","","","","","","","","5","P 63/m","-P 6c","176","Na3Ba2B6O12F","","","- B6 Ba2 F Na3 O12 -","- B6 Ba2 F Na3 O12 -","- B12 Ba4 F2 Na6 O24 -","2","0.166667","","Zhang, Hui; Zhang, Min; Pan, Shilie; Yang, Zhihua; Wang, Zheng; Bian, Qiang; Hou, Xueling; Yu, Hongwei; Zhang, Fangfang; Wu, Kui; Yang, Feng; Peng, Qinjun; Xu, Zuyan; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","Na3Ba2(B3O6)2F: Next Generation of Deep-Ultraviolet Birefringent Materials","Crystal Growth & Design","2015","15","1","523","","10.1021/cg5016912","","","0.71073","MoKα","","0.0128","0.0124","","","0.0285","0.0286","","","","","","1.226","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512475","31.263","0.005","25.383","0.005","26.217","0.005","90","","116.261","0.005","90","","18657","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H72 Co9 N18 O50 -","- C108 H72 Co9 N18 O50 -","- C432 H288 Co36 N72 O200 -","4","0.5","","Moushi, Eleni E.; Kourtellaris, Andreas; Spanopoulos, Ioannis; Manos, Manolis J.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.","A Microporous Co2+Metal Organic Framework with Single-Crystal to Single-Crystal Transformation Properties and High CO2Uptake","Crystal Growth & Design","2015","15","1","185","","10.1021/cg501141m","","","1.5418","CuKα","","0.0771","0.0592","","","0.1501","0.1651","","","","","","0.938","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512476","12.653","0.005","25.497","0.005","28.551","0.005","90","0.005","90.945","0.005","90","0.005","9210","4","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C121 H92 Co9 N20 O44 -","- C121 H92 Co9 N20 O44 -","- C242 H184 Co18 N40 O88 -","2","0.5","","Moushi, Eleni E.; Kourtellaris, Andreas; Spanopoulos, Ioannis; Manos, Manolis J.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.","A Microporous Co2+Metal Organic Framework with Single-Crystal to Single-Crystal Transformation Properties and High CO2Uptake","Crystal Growth & Design","2015","15","1","185","","10.1021/cg501141m","","","1.5418","CuKα","","0.1104","0.0827","","","0.2245","0.2735","","","","","","1.035","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512477","31.1125","0.0017","25.3261","0.0017","12.9022","0.001","90","","113.28","0.007","90","","9338.7","1.2","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C120 H84 Co9 N18 O42 -","- C120 H84 Co9 N18 O42 -","- C240 H168 Co18 N36 O84 -","2","0.25","","Moushi, Eleni E.; Kourtellaris, Andreas; Spanopoulos, Ioannis; Manos, Manolis J.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.","A Microporous Co2+Metal Organic Framework with Single-Crystal to Single-Crystal Transformation Properties and High CO2Uptake","Crystal Growth & Design","2015","15","1","185","","10.1021/cg501141m","","","1.54184","CuKα","","0.0791","0.0613","","","0.1645","0.1816","","","","","","1.005","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512478","13.8588","0.0008","15.8192","0.0009","17.835","0.001","67.688","0.001","68.686","0.001","76.113","0.001","3346.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H32 Fe N6 O26 S4 U2 -","- C60 H32 Fe N6 O26 S4 U2 -","- C120 H64 Fe2 N12 O52 S8 U4 -","2","1","","Li, Hao-Hong; Zeng, Xian-Hua; Wu, Hong-Yan; Jie, Xiang; Zheng, Shou-Tian; Chen, Zhi-Rong","Incorporating Guest Molecules into Honeycomb Structures Constructed from Uranium(VI)-Polycarboxylates: Structural Diversities and Photocatalytic Activities for the Degradation of Organic Dye","Crystal Growth & Design","2015","15","1","10","","10.1021/cg501252x","","","0.71073","MoKα","","0.0454","0.0299","","","0.0931","0.1243","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512479","16.4997","0.0008","17.2919","0.0008","18.0359","0.0009","90","","90","","90","","5145.8","0.4","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H28 N6 Ni O16 S2 U2 -","- C50 H28 N6 Ni O16 S2 U2 -","- C200 H112 N24 Ni4 O64 S8 U8 -","4","0.5","","Li, Hao-Hong; Zeng, Xian-Hua; Wu, Hong-Yan; Jie, Xiang; Zheng, Shou-Tian; Chen, Zhi-Rong","Incorporating Guest Molecules into Honeycomb Structures Constructed from Uranium(VI)-Polycarboxylates: Structural Diversities and Photocatalytic Activities for the Degradation of Organic Dye","Crystal Growth & Design","2015","15","1","10","","10.1021/cg501252x","","","0.71073","MoKα","","0.0737","0.0337","","","0.0741","0.0864","","","","","","0.975","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512480","12.9801","0.0008","34.096","0.002","16.3847","0.001","90","","94.923","0.001","90","","7224.6","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H44 Cl2 Cu2 N8 O21 U2 -","- C72 H44 Cl2 Cu2 N8 O21 U2 -","- C288 H176 Cl8 Cu8 N32 O84 U8 -","4","1","","Li, Hao-Hong; Zeng, Xian-Hua; Wu, Hong-Yan; Jie, Xiang; Zheng, Shou-Tian; Chen, Zhi-Rong","Incorporating Guest Molecules into Honeycomb Structures Constructed from Uranium(VI)-Polycarboxylates: Structural Diversities and Photocatalytic Activities for the Degradation of Organic Dye","Crystal Growth & Design","2015","15","1","10","","10.1021/cg501252x","","","0.71073","MoKα","","0.0876","0.0406","","","0.0976","0.1292","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512481","12.42","0.003","18.132","0.004","16.188","0.003","90","","104.28","0.03","90","","3532.9","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N2 O16 S3 U2 -","- C30 H20 N2 O16 S3 U2 -","- C120 H80 N8 O64 S12 U8 -","4","0.5","","Li, Hao-Hong; Zeng, Xian-Hua; Wu, Hong-Yan; Jie, Xiang; Zheng, Shou-Tian; Chen, Zhi-Rong","Incorporating Guest Molecules into Honeycomb Structures Constructed from Uranium(VI)-Polycarboxylates: Structural Diversities and Photocatalytic Activities for the Degradation of Organic Dye","Crystal Growth & Design","2015","15","1","10","","10.1021/cg501252x","","","0.71073","MoKα","","0.0494","0.0304","","","0.0527","0.0569","","","","","","0.836","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512482","5.67388","0.00032","5.67388","","8.0431","0.0008","90","","90","","90","","258.93","0.03","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Li0.19 N0.2 O2.8 Sr Ta0.81 -","- Li0.193 N0.2 O2.8 Sr Ta0.807 -","- Li0.772 N0.8 O11.2 Sr4 Ta3.228 -","4","0.125","","Kim, Young-Il; Paik, Younkee; Avdeev, Maxim","Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study","Crystal Growth & Design","2015","15","1","53","","10.1021/cg500739s","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512483","5.7216","0.0006","5.7216","","8.0923","0.001","90","","90","","90","","264.92","0.04","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- N0.2 Na0.19 O2.8 Sr Ta0.81 -","- N0.2 Na0.19113 O2.8 Sr Ta0.80887 -","- N0.8 Na0.76452 O11.2 Sr4 Ta3.23548 -","4","0.125","","Kim, Young-Il; Paik, Younkee; Avdeev, Maxim","Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study","Crystal Growth & Design","2015","15","1","53","","10.1021/cg500739s","powder diffraction","","","","","","","","","","","","","1.48","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512484","4.13059","0.00005","4.13059","","4.13059","","90","","90","","90","","70.4752","0.0009","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba N0.3 Na0.18 O2.7 Ta0.82 -","- Ba N0.297 Na0.183 O2.703 Ta0.817 -","- Ba N0.297 Na0.183 O2.703 Ta0.817 -","1","0.0208333","","Kim, Young-Il; Paik, Younkee; Avdeev, Maxim","Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study","Crystal Growth & Design","2015","15","1","53","","10.1021/cg500739s","powder diffraction","","","","","","","","","","","","","1.71","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512485","4.10778","0.00005","4.10778","","4.10778","","90","","90","","90","","69.3141","0.0008","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba Li0.2 N0.19 O2.81 Ta0.8 -","- Ba Li0.201 N0.192 O2.808 Ta0.799 -","- Ba Li0.201 N0.192 O2.808 Ta0.799 -","1","0.0208333","","Kim, Young-Il; Paik, Younkee; Avdeev, Maxim","Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study","Crystal Growth & Design","2015","15","1","53","","10.1021/cg500739s","powder diffraction","","","","","","","","","","","","","1.52","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512486","55.325","0.011","5.036","0.001","15.642","0.003","90","","98.42","0.03","90","","4311.1","1.5","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Copper(II) decanoate, polymorph C","catena((μ~3~-Decanoato-O,O,O')-(μ~2~-decanoato-O,O')-copper(ii))","","- C20 H38 Cu O4 -","- C20 H38 Cu O4 -","- C160 H304 Cu8 O32 -","8","1","","Ramos Riesco, M.; Martínez-Casado, F. J.; Cheda, J. A. Rodríguez; Redondo Yélamos, M. I.; Fernández-Martínez, A.; López-Andrés, S.","Study of the Polymorphism in Copper(II) Decanoate through Its Phase Diagram with Decanoic Acid, and Texture of the Columnar Thermotropic Liquid Crystal Developable Domains in This and Similar Systems","Crystal Growth & Design","2015","15","1","497","","10.1021/cg501572s","","","0.8","synchrotron","","0.0491","0.039","","","0.0963","0.107","","","","","","1.078","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512487","56.798","0.011","5.076","0.001","16.383","0.003","90","","102.78","0.03","90","","4606.3","1.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Copper(II) decanoate, polymorph C","catena((μ~3~-Decanoato-O,O,O')-(μ~2~-decanoato-O,O')-copper(ii))","","- C20 H38 Cu O4 -","- C20 H38 Cu O4 -","- C160 H304 Cu8 O32 -","8","1","","Ramos Riesco, M.; Martínez-Casado, F. J.; Cheda, J. A. Rodríguez; Redondo Yélamos, M. I.; Fernández-Martínez, A.; López-Andrés, S.","Study of the Polymorphism in Copper(II) Decanoate through Its Phase Diagram with Decanoic Acid, and Texture of the Columnar Thermotropic Liquid Crystal Developable Domains in This and Similar Systems","Crystal Growth & Design","2015","15","1","497","","10.1021/cg501572s","","","0.8","synchrotron","","0.0717","0.0505","","","0.1317","0.1442","","","","","","1.085","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512492","8.4502","0.0004","12.1807","0.0005","10.3745","0.0004","90","","105.125","0.004","90","","1030.85","0.08","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.078","0.0475","","","0.0754","0.0936","","","","","","1.04","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512493","9.3384","0.0003","12.6575","0.0004","9.0498","0.0003","90","","92.26","0.003","90","","1068.86","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.0554","0.038","","","0.0661","0.0751","","","","","","1","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512494","7.02123","0.00016","11.402","0.0003","13.3817","0.0003","90","","96.785","0.002","90","","1063.78","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.0592","0.0373","","","0.0737","0.0839","","","","","","1.049","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512495","8.45248","0.00018","12.269","0.0002","10.3536","0.0002","90","","105.542","0.002","90","","1034.44","0.04","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pt S2 -","- C6 H12 Cl2 O Pt S2 -","- C24 H48 Cl8 O4 Pt4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","x-ray","0.71073","MoKα","","0.0352","0.0298","","","0.0664","0.0696","","","","","","1.023","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512496","9.41666","0.00018","12.6646","0.0002","9.03759","0.00016","90","","91.5297","0.0017","90","","1077.42","0.03","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pt S2 -","- C6 H12 Cl2 O Pt S2 -","- C24 H48 Cl8 O4 Pt4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.0182","0.0153","","","0.0353","0.0365","","","","","","1.055","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512497","9.3451","0.0004","12.6701","0.0005","9.0724","0.0004","90","","92.424","0.004","90","","1073.24","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.0445","0.0332","","","0.0601","0.0673","","","","","","1.026","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512498","3.6787","0.0002","9.529","0.0006","13.7468","0.001","91.611","0.005","92.252","0.006","100.278","0.005","473.48","0.05","150.05","0.1","150.05","0.1","","","","","","","","3","P -1","-P 1","2","","ebdc","","- C10 H8 O5 -","- C10 H8 O5 -","- C20 H16 O10 -","2","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","","0.7107","MoKα","","0.1303","0.0624","","","0.1396","0.1798","","","","","","0.901","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512499","9.9878","0.0005","17.8249","0.0006","10.577","0.0004","90","","115.088","0.006","90","","1705.39","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1","","- C14 H16 O6 Pb S2 -","- C14 H16 O6 Pb S2 -","- C56 H64 O24 Pb4 S8 -","4","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","","0.7107","MoKα","","0.1031","0.06","","","0.1121","0.1294","","","","","","1.016","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512500","10.124","0.0004","15.0418","0.0005","15.048","0.0006","73.172","0.003","75.343","0.003","71.172","0.003","2043.59","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","2","","- C78 H54 N6 O30 Pb6 -","- C78 H54 N6 O30 Pb6 -","- C78 H54 N6 O30 Pb6 -","1","0.5","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.0887","0.0596","","","0.1166","0.1298","","","","","","1.072","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512501","22.3063","0.0004","18.246","0.0003","21.5618","0.0004","90","","95.649","0.002","90","","8733.1","0.3","150","0.1","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3","","- C61 H27 Cu6 O41 -","- C61 H27 Cu6 O41 -","- C244 H108 Cu24 O164 -","4","0.5","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.0776","0.057","","","0.1726","0.1871","","","","","","1.054","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512502","11.6687","0.0001","11.6687","0.0001","25.111","0.0004","90","","90","","90","","3419.08","0.07","150.05","0.1","150.05","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","4","","- C58 H58 N6 O23 Pb4 -","- C58 H58 N6 O23 Pb4 -","- C116 H116 N12 O46 Pb8 -","2","0.25","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.0393","0.0313","","","0.0671","0.0698","","","","","","1.098","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4512503","11.1171","0.0003","14.9906","0.0006","24.3281","0.0008","90","","93.217","0.003","90","","4047.9","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5","","- C75.34 H71.02 N2 O34.66 Zn6 -","- C75.34 H71.02 N2 O34.66 Zn6 -","- C150.68 H142.04 N4 O69.32 Zn12 -","2","0.5","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.1476","0.0964","","","0.2168","0.2381","","","","","","1.154","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4512504","12.4341","0.0003","18.4339","0.0005","20.2073","0.0005","90","","106.189","0.001","90","","4448","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Gd2 H38 Mo10 O55 -","- Co2 Gd2 H28 Mo10 O55 -","- Co8 Gd8 H112 Mo40 O220 -","4","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0312","0.0291","","","0.0729","0.0741","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512505","12.4365","0.0003","18.4751","0.0005","20.2258","0.0005","90","","106.22","","90","","4462.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co2 H38 Mo10 O55 Tb2 -","- Co2 H28 Mo10 O55 Tb2 -","- Co8 H112 Mo40 O220 Tb8 -","4","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0253","0.0229","","","0.0556","0.0566","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512506","10.5138","0.0006","18.6574","0.0009","12.2419","0.0006","90","","114.168","0.002","90","","2190.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 Gd H40 Mo10 N3 O50 -","- Co2 Gd H16 Mo10 N3 O50 -","- Co4 Gd2 H32 Mo20 N6 O100 -","2","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0225","0.0222","","","0.0551","0.0552","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512507","10.5165","0.0005","18.6213","0.0008","12.2525","0.0005","90","","114.066","0.001","90","","2190.85","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 H40 Mo10 N3 O50 Tb -","- Co2 H14 Mo10 N3 O50 Tb -","- Co4 H28 Mo20 N6 O100 Tb2 -","2","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0181","0.0177","","","0.0428","0.0429","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512508","12.975","0.0004","16.1618","0.0007","13.107","0.0005","90","","94.886","0.003","90","","2738.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H52 Br5.42 Cu5.42 N6 O -","- C52 H52 Br5.418 Cu5.418 N6 O -","- C104 H104 Br10.836 Cu10.836 N12 O2 -","2","1","","Jana, Subrata; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)","Crystal Growth & Design","2015","15","1","257","","10.1021/cg5013236","","","0.71073","MoKα","","0.0416","0.0331","","","0.0664","0.0689","","","","","","0.946","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512509","10.0229","0.0006","24.6728","0.0014","15.0813","0.0008","90","","98.3976","0.0019","90","","3689.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","S69","","","- C36 H39.75 Br2 Cu2 N4 O5.87 -","- C36 H39.746 Br2 Cu2 N4 O5.873 -","- C144 H158.984 Br8 Cu8 N16 O23.492 -","4","1","","Jana, Subrata; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)","Crystal Growth & Design","2015","15","1","257","","10.1021/cg5013236","","","0.71073","MoKα","","0.0338","0.0242","","","0.052","0.0554","","","","","","1.037","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512517","5.1685","0.0004","5.5274","0.0003","12.422","0.004","90","","100.871","0.015","90","","348.51","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H11 N -","- C8 H11 N -","- C16 H22 N2 -","2","1","","Bąk, Joanna M.; Gajda, Roman; Woźniak, Krzysztof","New High Pressure Crystal Structures of 2,2-Dimethylbutane and 2,3-Dimethylaniline: Combined X-ray, Raman, and Theoretical Studies","Crystal Growth & Design","2015","15","1","45","","10.1021/cg500998g","","","0.7107","MoKα","","0.048","0.0347","","","0.084","0.0932","","","","","","1.053","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512518","9.8263","0.0012","8.162","0.005","6.9926","0.0008","90","","90","","90","","560.8","0.4","294","0.5","294","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C6 H14 -","- C6 H14 -","- C24 H56 -","4","0.5","","Bąk, Joanna M.; Gajda, Roman; Woźniak, Krzysztof","New High Pressure Crystal Structures of 2,2-Dimethylbutane and 2,3-Dimethylaniline: Combined X-ray, Raman, and Theoretical Studies","Crystal Growth & Design","2015","15","1","45","","10.1021/cg500998g","","","0.56085","AgKα","","0.0768","0.0499","","","0.086","0.094","","","","","","1.16","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512519","10.568","0.006","12.031","0.005","13.327","0.005","116.71","0.02","105.63","0.03","96.82","0.03","1399.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 N5 O9 P -","- C21 H36 N5 O9 P -","- C42 H72 N10 O18 P2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina","Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil","Crystal Growth & Design","2015","15","1","475","","10.1021/cg501542h","","","0.71073","MoKα","","0.0707","0.0554","","","0.1504","0.1601","","","","","","1.093","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512520","10.3496","0.0005","12.0188","0.0006","12.9829","0.0006","115.175","0.002","105.644","0.002","98.228","0.002","1344.4","0.12","117","2","117","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H72 N10 O17 P2 -","- C44 H72 N10 O17 P2 -","- C44 H72 N10 O17 P2 -","1","0.5","","Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina","Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil","Crystal Growth & Design","2015","15","1","475","","10.1021/cg501542h","","","0.71073","MoKα","","0.0469","0.0399","","","0.1057","0.1101","","","","","","1.074","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512521","10.555","0.007","12.005","0.007","13.366","0.006","108.71","0.03","113.68","0.03","98.42","0.04","1393.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H35 N5 O9 P -","- C21 H33 N5 O9 P -","- C42 H66 N10 O18 P2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina","Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil","Crystal Growth & Design","2015","15","1","475","","10.1021/cg501542h","","","0.71073","MoKα","","0.1114","0.0629","","","0.1542","0.1717","","","","","","1.1","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512522","13.1287","0.0001","24.6784","0.0003","8.34752","0.00008","90","","100.658","0.0005","90","","2657.9","0.05","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H32 N5 O8 P -","- C20 H32 N5 O8 P -","- C80 H128 N20 O32 P4 -","4","1","","Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina","Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil","Crystal Growth & Design","2015","15","1","475","","10.1021/cg501542h","powder diffraction","","1.5418","CuKα","","","","","","","","","5.8734","12.7","","","","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512523","12.7519","0.0012","12.3485","0.001","8.4764","0.0008","90","","95.064","0.002","90","","1329.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C56 H56 N24 O4 -","4","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.0974","0.0528","","","0.1032","0.1178","","","","","","1.014","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512524","15.124","0.003","10.918","0.002","36.182","0.007","90","","102.063","0.004","90","","5842.6","1.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cd N12 O4 -","- C28 H26 Cd N12 O4 -","- C224 H208 Cd8 N96 O32 -","8","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.1214","0.0778","","","0.2125","0.2335","","","","","","1.063","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512525","8.95","0.005","10.672","0.005","11.648","0.005","116.158","0.005","93.181","0.005","104.923","0.005","946.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N14 O12 Zn2 -","- C30 H30 N14 O12 Zn2 -","- C30 H30 N14 O12 Zn2 -","1","0.5","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71069","MoKα","","0.0875","0.0609","","","0.1729","0.2377","","","","","","0.945","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512526","9.232","0.005","9.681","0.005","11.456","0.005","98.481","0.005","109.051","0.004","111.718","0.003","856.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 Co2 N14 O2 -","- C32 H32 Cl2 Co2 N14 O2 -","- C32 H32 Cl2 Co2 N14 O2 -","1","0.5","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71069","MoKα","","0.0718","0.0459","","","0.1017","0.1192","","","","","","1.086","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512527","13.0605","0.0009","16.4911","0.0012","16.6975","0.0011","90","","90","","90","","3596.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cu N7 O6 -","- C15 H19 Cu N7 O6 -","- C120 H152 Cu8 N56 O48 -","8","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.0867","0.0503","","","0.1284","0.1583","","","","","","1.077","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512528","16.308","0.003","6.7933","0.0012","13.732","0.002","90","","110.445","0.004","90","","1425.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Ag N8 O7 -","- C7 H12 Ag N8 O7 -","- C28 H48 Ag4 N32 O28 -","4","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.0838","0.052","","","0.1487","0.174","","","","","","1.03","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512530","9.65","0.006","17.27","0.012","18.274","0.012","99.057","0.011","90.485","0.009","106.122","0.01","2885","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Co3 N4 O14 -","- C44 H28 Co3 N4 O14 -","- C88 H56 Co6 N8 O28 -","2","1","","Munn, Alexis S.; Amabilino, Silvia; Stevens, Thomas W.; Daniels, Luke M.; Clarkson, Guy J.; Millange, Franck; Lennox, Matthew J.; Düren, Tina; Bourelly, Sandrine; Llewellyn, Philip L.; Walton, Richard I.","Metal‒Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-N-oxide Co-ligands","Crystal Growth & Design","2015","15","2","891","","10.1021/cg501690b","","","0.71075","MoKα","","0.1626","0.0898","","","0.2159","0.2484","","","","","","0.989","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512531","11.3407","0.0005","11.3847","0.0009","13.1908","0.0007","88.868","0.006","69.339","0.005","85.726","0.005","1589.07","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.25 H22.5 Co2 N2 O12 -","- C27.25 H16 Co2 N2 O12 -","- C54.5 H32 Co4 N4 O24 -","2","1","","Munn, Alexis S.; Amabilino, Silvia; Stevens, Thomas W.; Daniels, Luke M.; Clarkson, Guy J.; Millange, Franck; Lennox, Matthew J.; Düren, Tina; Bourelly, Sandrine; Llewellyn, Philip L.; Walton, Richard I.","Metal‒Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-N-oxide Co-ligands","Crystal Growth & Design","2015","15","2","891","","10.1021/cg501690b","","","0.71073","MoKα","","0.1518","0.1072","","","0.2674","0.2947","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512532","11.3517","0.0012","11.3956","0.001","13.2806","0.0012","90","","110.274","0.011","90","","1611.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H16 Co2 N2 O10 -","- C26 H16 Co2 N2 O10 -","- C52 H32 Co4 N4 O20 -","2","0.5","","Munn, Alexis S.; Amabilino, Silvia; Stevens, Thomas W.; Daniels, Luke M.; Clarkson, Guy J.; Millange, Franck; Lennox, Matthew J.; Düren, Tina; Bourelly, Sandrine; Llewellyn, Philip L.; Walton, Richard I.","Metal‒Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-N-oxide Co-ligands","Crystal Growth & Design","2015","15","2","891","","10.1021/cg501690b","","","0.7107","MoKα","","0.1554","0.0738","","","0.1089","0.1261","","","","","","0.962","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512533","9.4293","0.0019","14.566","0.003","20.591","0.004","74.05","0.03","84.79","0.03","87.1","0.03","2707","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 N20 O7 S3 -","- C44 H32 N20 O7 S3 -","- C88 H64 N40 O14 S6 -","2","1","","Sun, Zhiyong; Li, Yangxue; Chen, Li; Jing, Xiabin; Xie, Zhigang","Fluorescent Hydrogen-Bonded Organic Framework for Sensing of Aromatic Compounds","Crystal Growth & Design","2015","15","2","542","","10.1021/cg501652r","","","0.71073","MoKα","","0.1605","0.0975","","","0.226","0.2608","","","","","","1.023","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512534","14.7979","0.0004","18.6413","0.0005","22.2879","0.0005","86.672","0.002","79.485","0.002","75.825","0.003","5860.3","0.3","130","3","130","3","","","","","","","","5","P -1","-P 1","2","","","","- C76 H52 N16 O13 Zn4 -","- C76 H52 N16 O13 Zn4 -","- C152 H104 N32 O26 Zn8 -","2","1","","Chen, Di-Ming; Xu, Na; Qiu, Xiao-Hang; Cheng, Peng","Functionalization of Metal‒Organic Framework via Mixed-Ligand Strategy for Selective CO2Sorption at Ambient Conditions","Crystal Growth & Design","2015","15","2","961","","10.1021/cg501758a","","","0.71073","MoKα","","0.0713","0.054","","","0.1564","0.1661","","","","","","1.06","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512535","7.9371","0.0016","15.359","0.003","14.644","0.003","90","","103.76","0.03","90","","1734","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H24 N6 O8 Zn -","- C36 H24 N6 O8 Zn -","- C72 H48 N12 O16 Zn2 -","2","1","","Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei","Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","2","687","","10.1021/cg5013796","","","0.71073","MoKα","","0.0995","0.0536","","","0.1362","0.1971","","","","","","1.153","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512536","12.411","0.0011","19.5709","0.0017","15.6611","0.0013","90","","90","","90","","3804","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H20 Cu N6 O8 -","- C36 H20 Cu N6 O8 -","- C144 H80 Cu4 N24 O32 -","4","0.5","","Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei","Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","2","687","","10.1021/cg5013796","","","0.71073","MoKα","","0.1341","0.0919","","","0.2599","0.2763","","","","","","1.082","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512537","8.026","0.004","15.446","0.007","14.588","0.007","90","","103.873","0.008","90","","1755.7","1.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H25 Co N6 O8.5 -","- C36 H24 Co N6 O8.5 -","- C72 H48 Co2 N12 O17 -","2","1","","Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei","Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","2","687","","10.1021/cg5013796","","","0.71073","MoKα","","0.0928","0.0692","","","0.1723","0.1902","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512538","40.979","0.004","40.979","0.004","16.064","0.003","90","","90","","120","","23362","5","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C25.75 H22.75 Cu2 I N5.25 O5.25 -","- C25.75 H22.75 Cu2 I N5.25 O5.25 -","- C463.5 H409.5 Cu36 I18 N94.5 O94.5 -","18","1","","Wang, Jing; Luo, Jiahuan; Luo, Xiaolong; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of a Three-Dimensional Metal‒Organic Framework with Copper(I) Iodide and 4-(Pyrimidin-5-yl) Benzoic Acid: Controlled Uptake and Release of Iodine","Crystal Growth & Design","2015","15","2","915","","10.1021/cg501730q","","","0.71073","MoKα","","0.1321","0.0643","","","0.1602","0.1951","","","","","","0.974","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512539","6.219","0.0002","6.219","0.0002","37.1067","0.0011","90","","90","","120","","1242.87","0.07","296","2","296","2","","","","","","","","3","R -3 c","-R 3 2""c","167","Copper (I) Tantalum (V) Oxide (2/4/11)","","","- Cu2 O11 Ta4 -","- Cu2.01 O11 Ta4 -","- Cu12.06 O66 Ta24 -","6","","","King, Nacole; Sommer, Roger D.; Watkins-Curry, Pilanda; Chan, Julia Y.; Maggard, Paul A.","Synthesis, Structure, and Thermal Instability of the Cu2Ta4O11Phase","Crystal Growth & Design","2015","15","2","552","","10.1021/cg500987c","","x-ray","0.71073","MoKα","","0.0236","0.0236","","","0.0666","0.0666","","","","","","1.377","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512540","12.637","0.002","13.239","0.002","20.11","0.003","74.822","0.001","76.15","0.002","86.264","0.002","3152.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.7 H64.01 Cu6 N16 O14.7 -","- C49.7 H64.012 Cu6 N16 O14.7 -","- C99.4 H128.024 Cu12 N32 O29.4 -","2","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.0992","0.0569","","","0.108","0.1399","","","","","","1.144","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512541","21.3303","0.001","13.9282","0.0007","18.8191","0.0008","90","","105.898","0.002","90","","5377.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H66 Cu3 N12 O14 -","- C47 H66 Cu3 N12 O14 -","- C188 H264 Cu12 N48 O56 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.0568","0.0452","","","0.1077","0.1177","","","","","","1.154","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512542","35.272","0.004","13.7758","0.0014","23.686","0.002","90","","90","","90","","11509","2","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C92 H88 Cu6 N26 O11 -","- C92 H88 Cu6 N26 O11 -","- C368 H352 Cu24 N104 O44 -","4","0.25","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.1501","0.0727","","","0.1813","0.2451","","","","","","1.069","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512543","35.434","0.0011","13.446","0.0004","23.5802","0.0008","90","","90","","90","","11234.7","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H86.4 Cu6 N25.6 O14 -","- C90 H86.4 Cu6 N25.6 O14 -","- C360 H345.6 Cu24 N102.4 O56 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.1392","0.0912","","","0.2299","0.2649","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512544","11.062","0.002","12.636","0.003","12.816","0.003","86.064","0.002","71.413","0.002","66.729","0.002","1556.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Cu6 N16 O12 -","- C50 H56 Cu6 N16 O12 -","- C50 H56 Cu6 N16 O12 -","1","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.091","0.0482","","","0.1087","0.1241","","","","","","0.951","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512545","11.174","0.004","12.452","0.004","13.109","0.008","113.89","0.005","94.844","0.006","113.569","0.004","1461","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cu3 N8 O6 -","- C25 H26 Cu3 N8 O6 -","- C50 H52 Cu6 N16 O12 -","2","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.1303","0.0667","","","0.1531","0.1969","","","","","","0.979","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512546","12.705","0.006","17.071","0.008","19.391","0.01","90","","98.032","0.004","90","","4164","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cu3 N12 O7 -","- C38 H36 Cu3 N12 O7 -","- C152 H144 Cu12 N48 O28 -","4","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.2891","0.1282","","","0.2165","0.2843","","","","","","1.004","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512547","14.962","0.0012","15.011","0.0012","17.5963","0.0015","90","","98.092","0.001","90","","3912.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Mn2 N8 O8 -","- C44 H34 Mn2 N8 O8 -","- C176 H136 Mn8 N32 O32 -","4","1","","Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","2","966","","10.1021/cg501768f","","","0.71073","MoKα","","0.041","0.0314","","","0.078","0.0841","","","","","","1.026","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512548","7.57","0.007","10.63","0.01","16.062","0.015","97.955","0.01","94.363","0.011","103.286","0.01","1238","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Mn N3.33 O6 -","- C18 H12 Mn N3.33333 O6 -","- C54 H36 Mn3 N10 O18 -","3","1.5","","Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","2","966","","10.1021/cg501768f","","","0.71073","MoKα","","0.0693","0.0615","","","0.1627","0.169","","","","","","1.06","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512549","9.5561","0.0009","17.3966","0.0014","22.1223","0.0016","90","","112.042","0.003","90","","3408.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Mn3 N8 O24 -","- C72 H60 Mn3 N8 O24 -","- C144 H120 Mn6 N16 O48 -","2","0.5","","Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","2","966","","10.1021/cg501768f","","","0.71073","MoKα","","0.1292","0.0544","","","0.097","0.124","","","","","","0.999","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512550","13.1418","0.0005","20.3611","0.0007","14.6089","0.0007","90","","110.305","0.006","90","","3666.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H60 Mn2 N8 O22 -","- C80 H60 Mn2 N8 O22 -","- C160 H120 Mn4 N16 O44 -","2","0.5","","Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","2","966","","10.1021/cg501768f","","","0.71073","MoKα","","0.1409","0.0675","","","0.1438","0.1845","","","","","","1.007","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512551","12.4092","0.0002","4.6608","0.0001","11.8316","0.0002","90","","90","","90","","684.3","0.02","20","0.05","20","0.05","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C24 H16 N8 O20 -","4","1","","Cenedese, Simone; Zhurov, Vladimir V.; Pinkerton, A. Alan","Charge Density Analysis of 2,6-Dinitrophenol","Crystal Growth & Design","2015","15","2","875","","10.1021/cg5016725","","","0.71073","MoKα","","0.013","0.012","","","","0.012","","","","","","1.404","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512552","24.9643","0.0006","14.9519","0.0003","26.8128","0.0006","90","","119.084","0.0012","90","","8746.3","0.4","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C400 H464 N16 O32 -","16","2","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.1038","","","","0.3738","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512553","13.4479","0.0004","25.9325","0.0008","24.8064","0.0008","90","","100.924","0.0014","90","","8494.2","0.5","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H56 N2 O4 -","- C49 H56 N2 O4 -","- C392 H448 N16 O32 -","8","1","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.11","","","","0.3674","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512554","13.5129","0.0012","25.861","0.002","24.783","0.002","90","","100.788","0.004","90","","8507.5","1.2","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H56 N2 O4 -","- C49 H56 N2 O4 -","- C392 H448 N16 O32 -","8","1","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.124","","","","0.3746","","","","","","0.931","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512555","13.5015","0.0003","25.7288","0.0006","24.7927","0.0006","90","","100.818","0.0012","90","","8459.4","0.3","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 N2 O4 -","- C48 H54 N2 O4 -","- C384 H432 N16 O32 -","8","1","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.1164","","","","0.2956","","","","","","1.421","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512556","13.419","","25.736","","24.798","","90","","100.684","","90","","8415.56","","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 N2 O4 -","- C48 H54 N2 O4 -","- C384 H432 N16 O32 -","8","1","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.0725","","","","0.246","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512557","6.2822","0.0002","13.4037","0.0004","15.5274","0.0006","90","","93.563","0.003","90","","1304.95","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O8 -","- C12 H12 N2 O8 -","- C48 H48 N8 O32 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0453","0.038","","","0.1078","0.1141","","","","","","1.002","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512558","7.7932","0.0005","8.0164","0.0005","10.2555","0.0007","76.952","0.005","77.24","0.005","61.961","0.006","545.97","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C22 H20 N8 O6 -","2","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0417","0.036","","","0.0958","0.1004","","","","","","1.066","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512559","5.2384","0.0009","28.141","0.005","7.8234","0.0013","90","","91.938","0.014","90","","1152.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N5 O4 -","- C9 H11 N5 O4 -","- C36 H44 N20 O16 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0667","0.0519","","","0.1403","0.1547","","","","","","1.076","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512560","9.2881","0.0004","9.9444","0.0004","12.434","0.0005","95.507","0.004","106.56","0.004","90.488","0.004","1094.97","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","2","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0548","0.0428","","","0.1128","0.1216","","","","","","1.05","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512561","8.545","0.0009","10.4099","0.0009","11.0248","0.0011","64.251","0.009","83.081","0.008","86.219","0.007","876.77","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N6 O6 -","- C14 H22 N6 O6 -","- C28 H44 N12 O12 -","2","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0753","0.0504","","","0.135","0.1555","","","","","","1.052","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512562","9.9651","0.0007","5.0604","0.0004","7.2114","0.0005","90","","109.332","0.0009","90","","343.15","0.04","150","","150","","","","","","","","","2","P 1 2/a 1","-P 2ya","13","","","","- O10 Ti6 -","- O10 Ti6 -","- O20 Ti12 -","2","0.5","","Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi","Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway","Crystal Growth & Design","2015","15","2","653","","10.1021/cg5013439","powder diffraction","","1.54059","CuKα~1~","","0.0148","","","","","","0.01487","0.02483","1.3629","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512563","9.9695","0.0007","5.0739","0.0003","7.1817","0.0005","90","","109.863","0.0006","90","","341.67","0.04","300","","300","","","","","","","","","2","I 1 2/c 1","-I 2yc","15","","","","- O5 Ti3 -","- O5 Ti3 -","- O20 Ti12 -","4","0.5","","Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi","Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway","Crystal Growth & Design","2015","15","2","653","","10.1021/cg5013439","powder diffraction","","1.54059","CuKα~1~","","0.01547","","","","","","0.01545","0.03527","1.4279","","","","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512564","10.2338","0.0007","8.387","0.0004","18.4587","0.0014","90","","94.877","0.006","90","","1578.59","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O8 Zn -","- C13 H19 N O8 Zn -","- C52 H76 N4 O32 Zn4 -","4","1","","Paraschiv, Carmen; Cucos, Andrei; Shova, Sergiu; Madalan, Augustin M.; Maxim, Catalin; Visinescu, Diana; Cojocaru, Bogdan; Parvulescu, Vasile I.; Andruh, Marius","New Zn(II) Coordination Polymers Constructed from Amino-Alcohols and Aromatic Dicarboxylic Acids: Synthesis, Structure, Photocatalytic Properties, and Solid-State Conversion to ZnO","Crystal Growth & Design","2015","15","2","799","","10.1021/cg501604c","","","0.71073","MoKα","","0.0542","0.0436","","","0.121","0.1259","","","","","","1.202","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512565","9.9286","0.0005","16.0382","0.001","10.6658","0.0005","90","","101.588","0.004","90","","1663.77","0.16","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N2 O16 Zn3 -","- C32 H34 N2 O16 Zn3 -","- C64 H68 N4 O32 Zn6 -","2","0.5","","Paraschiv, Carmen; Cucos, Andrei; Shova, Sergiu; Madalan, Augustin M.; Maxim, Catalin; Visinescu, Diana; Cojocaru, Bogdan; Parvulescu, Vasile I.; Andruh, Marius","New Zn(II) Coordination Polymers Constructed from Amino-Alcohols and Aromatic Dicarboxylic Acids: Synthesis, Structure, Photocatalytic Properties, and Solid-State Conversion to ZnO","Crystal Growth & Design","2015","15","2","799","","10.1021/cg501604c","","","0.71073","MoKα","","0.1014","0.048","","","0.1081","0.1419","","","","","","1.021","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512566","13.6546","0.0018","14.2126","0.0018","14.6377","0.0019","76.057","0.011","86.39","0.011","67.91","0.012","2553.4","0.6","173.05","0.1","173.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45.2 N2 O21.6 Zn5 -","- C36 H45.2 N2 O21.6 Zn5 -","- C72 H90.4 N4 O43.2 Zn10 -","2","1","","Paraschiv, Carmen; Cucos, Andrei; Shova, Sergiu; Madalan, Augustin M.; Maxim, Catalin; Visinescu, Diana; Cojocaru, Bogdan; Parvulescu, Vasile I.; Andruh, Marius","New Zn(II) Coordination Polymers Constructed from Amino-Alcohols and Aromatic Dicarboxylic Acids: Synthesis, Structure, Photocatalytic Properties, and Solid-State Conversion to ZnO","Crystal Growth & Design","2015","15","2","799","","10.1021/cg501604c","","","0.71073","MoKα","","0.1083","0.0617","","","0.1299","0.1445","","","","","","0.937","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512567","7.0609","0.0003","13.0523","0.0006","15.6203","0.0008","90","","98.512","0.004","90","","1423.73","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H27 N5 O4 -","- C36 H27 N5 O4 -","- C72 H54 N10 O8 -","2","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0493","0.0439","","","0.1278","0.1347","","","","","","1.018","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512568","9.4259","0.0003","9.4259","0.0003","45.174","0.003","90","","90","","90","","4013.6","0.3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C176 H176 N32 O40 -","8","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0539","0.0471","","","0.1351","0.1418","","","","","","1.034","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512569","7.8903","0.0007","11.6558","0.0008","20.221","0.002","90","","97.454","0.008","90","","1844","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18.5 H16 Br N3 O4.5 -","- C18.5 H16 Br N3 O4.5 -","- C74 H64 Br4 N12 O18 -","4","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.107","0.0775","","","0.1773","0.2076","","","","","","1.039","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512570","8.1686","0.0005","11.767","0.0004","20.2208","0.0009","90","","98.256","0.005","90","","1923.48","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18.5 H16 I N3 O4.5 -","- C18.5 H16 I N3 O4.5 -","- C74 H64 I4 N12 O18 -","4","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0646","0.055","","","0.1384","0.1469","","","","","","1.048","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512571","9.1474","0.0003","9.1474","0.0003","45.447","0.002","90","","90","","90","","3802.8","0.2","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H19 N3 O5 S -","- C20 H19 N3 O5 S -","- C160 H152 N24 O40 S8 -","8","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0766","0.0631","","","0.1561","0.1687","","","","","","1.026","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512572","8.8106","0.0003","9.3624","0.0003","24.5159","0.0007","90","","90","","90","","2022.28","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N4 O4 -","- C23 H18 N4 O4 -","- C92 H72 N16 O16 -","4","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0761","0.0578","","","0.1729","0.1856","","","","","","1.071","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512573","8.6816","0.0003","9.268","0.0003","18.9183","0.0005","85.672","0.002","79.851","0.002","62.346","0.002","1327.17","0.08","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N5 O6 -","- C27 H29 N5 O6 -","- C54 H58 N10 O12 -","2","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0583","0.0476","","","0.1172","0.1271","","","","","","1.068","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512574","8.3033","0.0006","14.3166","0.0009","27.1828","0.0015","90","","90.998","0.006","90","","3230.9","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N3 O5 -","- C18 H13 N3 O5 -","- C144 H104 N24 O40 -","8","4","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0998","0.0658","","","0.1602","0.1938","","","","","","1.001","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512575","8.4504","0.0005","14.1551","0.0009","27.2253","0.0016","90","","92.716","0.005","90","","3252.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18.25 H14 N3 O5 -","- C18.25 H14 N3 O5 -","- C146 H112 N24 O40 -","8","4","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.1736","0.0894","","","0.0929","0.1192","","","","","","1.006","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512576","11.2039","0.0004","16.661","0.0007","20.729","0.0009","90","","90","","90","","3869.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H37 N7 O14 S -","- C39 H37 N7 O14 S -","- C156 H148 N28 O56 S4 -","4","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0556","0.0433","","","0.1035","0.1143","","","","","","1.015","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512577","9.2737","0.0003","9.2737","0.0003","45.268","0.002","90","","90","","90","","3893.1","0.2","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C168 H160 N32 O40 -","8","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0715","0.0645","","","0.1497","0.1541","","","","","","0.997","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512578","9.1427","0.0004","20.8064","0.001","9.5488","0.0004","90","","101.925","0.004","90","","1777.24","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 N4 O7 -","- C18 H14 N4 O7 -","- C72 H56 N16 O28 -","4","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0548","0.0427","","","0.109","0.1193","","","","","","0.998","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512597","11.297","0.0011","9.6083","0.001","14.7567","0.0015","90","","91.536","0.009","90","","1601.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Ag4 N4 O9 -","- C12 H6 Ag4 N4 O9 -","- C48 H24 Ag16 N16 O36 -","4","0.5","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0469","0.0375","","","0.0917","0.097","","","","","","1.182","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512598","13.8475","0.0007","15.1719","0.0008","16.477","0.0008","75.798","0.004","81.449","0.004","63.074","0.005","2989.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Ag6 Gd2 N12 O33 -","- C36 H30 Ag6 Gd2 N12 O33 -","- C72 H60 Ag12 Gd4 N24 O66 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0581","0.044","","","0.1071","0.1161","","","","","","1.018","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512599","6.6739","0.0004","10.0822","0.0006","14.9383","0.0008","99.695","0.005","101.871","0.005","105.78","0.005","919.34","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Ag N4 O12 Tb -","- C12 H12 Ag N4 O12 Tb -","- C24 H24 Ag2 N8 O24 Tb2 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0475","0.0455","","","0.1244","0.1268","","","","","","1.046","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512600","6.663","0.0007","10.0416","0.0009","14.9312","0.0014","99.561","0.008","101.678","0.009","105.824","0.009","914.92","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Ag Dy N4 O12 -","- C12 H12 Ag Dy N4 O12 -","- C24 H24 Ag2 Dy2 N8 O24 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0488","0.0447","","","0.1139","0.1186","","","","","","1.049","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512601","6.641","0.002","10.095","0.003","14.902","0.005","99.44","0.03","101.82","0.03","106","0.03","913.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Ag Ho N4 O12 -","- C12 H12 Ag Ho N4 O12 -","- C24 H24 Ag2 Ho2 N8 O24 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.2387","0.1432","","","0.3284","0.4722","","","","","","1.054","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512602","6.6298","0.0004","10.0444","0.001","14.8892","0.0015","99.418","0.008","101.793","0.007","105.825","0.007","908.11","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Ag Er N4 O12 -","- C12 H12 Ag Er N4 O12 -","- C24 H24 Ag2 Er2 N8 O24 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0993","0.0893","","","0.236","0.2489","","","","","","1.089","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512603","5.4494","0.001","7.0744","0.001","28.993","0.005","90.43","0.02","92.25","0.02","82.93","0.02","1108.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[C1C12triaz]I3","","","- C15 H30 I3 N3 O0 -","- C15 H30 I3 N3 -","- C30 H60 I6 N6 -","2","1","","Stappert, Kathrin; Ünal, Derya; Spielberg, Eike T.; Mudring, Anja-Verena","Influence of the Counteranion on the Ability of 1-Dodecyl-3-methyltriazolium Ionic Liquids to Form Mesophases","Crystal Growth & Design","2015","15","2","752","","10.1021/cg501564j","","","0.71073","MoKα","","0.151","0.1037","","","0.275","0.2906","","","","","","1.149","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512604","5.4934","0.0017","8.7114","0.0015","19.501","0.005","78.91","0.02","85.39","0.03","84.046","0.017","909.1","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","[C1C12triaz]Br","","","- C15 H30 Br N3 -","- C15 H30 Br N3 -","- C30 H60 Br2 N6 -","2","1","","Stappert, Kathrin; Ünal, Derya; Spielberg, Eike T.; Mudring, Anja-Verena","Influence of the Counteranion on the Ability of 1-Dodecyl-3-methyltriazolium Ionic Liquids to Form Mesophases","Crystal Growth & Design","2015","15","2","752","","10.1021/cg501564j","","","0.71073","MoKα","","0.0483","0.0341","","","0.0763","0.0797","","","","","","0.901","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512605","5.6056","0.0006","8.907","0.001","19.523","0.003","79.8","0.02","83.5","0.02","81.78","0.02","945.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[C1C12triaz]I","","","- C15 H30 I N3 -","- C15 H30 I N3 -","- C30 H60 I2 N6 -","2","1","","Stappert, Kathrin; Ünal, Derya; Spielberg, Eike T.; Mudring, Anja-Verena","Influence of the Counteranion on the Ability of 1-Dodecyl-3-methyltriazolium Ionic Liquids to Form Mesophases","Crystal Growth & Design","2015","15","2","752","","10.1021/cg501564j","","","0.71073","MoKα","","0.0771","0.0448","","","0.0716","0.0825","","","","","","0.987","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512606","11.687","0.005","14.276","0.005","14.847","0.005","107.624","0.005","94.648","0.005","108.89","0.005","2189.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H76 Cl2 Gd4 Mn2 N6 O22 -","- C66 H76 Cl2 Gd4 Mn2 N6 O22 -","- C66 H76 Cl2 Gd4 Mn2 N6 O22 -","1","0.5","","Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand","Crystal Growth & Design","2015","15","2","848","","10.1021/cg501640y","","","0.71069","MoKα","","0.0777","0.0461","","","0.1117","0.1193","","","","","","0.952","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512607","13.425","0.005","13.637","0.005","14.927","0.005","73.564","0.005","69.223","0.005","68.784","0.005","2344.1","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H100 Cl2 Mn2 N14 O22 Tb4 -","- C82 H100 Cl2 Mn2 N14 O22 Tb4 -","- C82 H100 Cl2 Mn2 N14 O22 Tb4 -","1","0.5","","Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand","Crystal Growth & Design","2015","15","2","848","","10.1021/cg501640y","","","0.71069","MoKα","","0.0831","0.0616","","","0.1607","0.2233","","","","","","1.145","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512608","13.241","0.005","14.275","0.005","14.89","0.005","103.847","0.005","110.331","0.005","101.321","0.005","2438.7","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H76 Cl2 Dy4 Mn2 N6 O22 -","- C66 H76 Cl2 Dy4 Mn2 N6 O22 -","- C66 H76 Cl2 Dy4 Mn2 N6 O22 -","1","0.5","","Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand","Crystal Growth & Design","2015","15","2","848","","10.1021/cg501640y","","","0.71069","MoKα","","0.0365","0.0267","","","0.0698","0.0719","","","","","","1.025","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512609","13.327","0.005","13.649","0.005","14.848","0.005","73.807","0.005","69.316","0.005","69.002","0.005","2322.8","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H100 Cl2 Ho4 Mn2 N14 O22 -","- C82 H100 Cl2 Ho4 Mn2 N14 O22 -","- C82 H100 Cl2 Ho4 Mn2 N14 O22 -","1","0.5","","Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand","Crystal Growth & Design","2015","15","2","848","","10.1021/cg501640y","","","0.71069","MoKα","","0.0457","0.0292","","","0.0608","0.0656","","","","","","1.019","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512610","9.9049","0.0006","10.7803","0.0008","13.9607","0.0009","107.848","0.006","101.55","0.005","104.173","0.006","1313.14","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 Cu N6 O9 -","- C22 H26 Cl2 Cu N6 O9 -","- C44 H52 Cl4 Cu2 N12 O18 -","2","1","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1022","0.057","","","0.1301","0.1391","","","","","","1.03","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512611","9.1591","0.0016","10.5151","0.0013","15.692","0.003","81.424","0.013","73.713","0.015","87.394","0.013","1434.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 Cd Cl2 N6 O10 -","- C23 H30 Cd Cl2 N6 O10 -","- C46 H60 Cd2 Cl4 N12 O20 -","2","1","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.0697","0.0408","","","0.0777","0.0911","","","","","","1.015","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512612","20.955","0.014","15.726","0.011","8.128","0.007","90","","97.42","0.015","90","","2656","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Cl2 N6 Ni O10 -","- C21 H26 Cl2 N6 Ni O10 -","- C84 H104 Cl8 N24 Ni4 O40 -","4","0.5","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1858","0.1096","","","0.2637","0.3011","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512613","14.888","0.003","11.648","0.002","14.253","0.003","90","","114.83","0.03","90","","2243.2","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N8 Ni O6 -","- C21 H20 N8 Ni O6 -","- C84 H80 N32 Ni4 O24 -","4","0.5","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.0422","0.0359","","","0.1011","0.1066","","","","","","1.099","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512614","14.5503","0.0005","11.3288","0.0003","34.785","0.0013","90","","90","","90","","5733.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H52 Cl4 Cu2 N14 O16 -","- C52 H52 Cl4 Cu2 N14 O16 -","- C208 H208 Cl16 Cu8 N56 O64 -","4","0.5","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1055","0.084","","","0.2117","0.2259","","","","","","1.049","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512615","14.187","0.001","14.5672","0.0009","19.9189","0.0009","111.146","0.005","96.06","0.005","91.536","0.005","3808.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H140 Cd4 Cl8 N32 O40 -","- C126 H120 Cd4 Cl8 N32 O40 -","- C126 H120 Cd4 Cl8 N32 O40 -","1","0.5","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1199","0.0762","","","0.2244","0.2416","","","","","","1.025","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512616","11.5631","0.0004","17.4706","0.0006","17.6941","0.0006","90","","99.307","0.003","90","","3527.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cl2 N8 Ni O9 -","- C32 H34 Cl2 N8 Ni O9 -","- C128 H136 Cl8 N32 Ni4 O36 -","4","1","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.0641","0.0558","","","0.1682","0.1795","","","","","","1.035","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512617","12.0107","0.0004","16.2421","0.0008","17.5907","0.0006","90","","98.536","0.004","90","","3393.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N10 Ni O8 -","- C32 H32 N10 Ni O8 -","- C128 H128 N40 Ni4 O32 -","4","1","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1451","0.086","","","0.2301","0.2557","","","","","","1.025","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512618","20.1049","0.0018","12.7575","0.0015","14.427","0.0012","90","","90","","90","","3700.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H20 N18 O10 Zn5 -","- C26 H20 N18 O10 Zn5 -","- C52 H40 N36 O20 Zn10 -","2","0.5","","Fu, Hong-Ru; Zhang, Jian","Flexible Porous Zinc‒Pyrazole‒Adenine Framework for Hysteretic Sorption of Light Hydrocarbons","Crystal Growth & Design","2015","15","3","1210","","10.1021/cg5016093","","","0.71073","MoKα","","0.0615","0.0503","","","0.1401","0.1471","","","","","","1.055","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512619","26.3712","0.0009","10.1433","0.0005","7.9013","0.0003","90","","90","","90","","2113.53","0.15","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Piperazine-1,4-diium hexabromidorhodate(III) bromide monohydrate","","- C8 H26 Br7 N4 O Rh -","- C8 H26 Br7 N4 O Rh -","- C32 H104 Br28 N16 O4 Rh4 -","4","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.0367","0.0203","","","0.0343","0.0359","","","","","","0.94","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512620","27.4238","0.0009","10.5512","0.0004","8.3875","0.0003","90","","90","","90","","2426.96","0.15","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Piperazine-1,4-diium hexaiodidorhodate(III) iodide monohydrate","","- C8 H26 I7 N4 O Rh -","- C8 H26 I7 N4 O Rh -","- C32 H104 I28 N16 O4 Rh4 -","4","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.031","0.0196","","","0.0353","0.0373","","","","","","0.995","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512621","11.4831","0.0005","5.9049","0.0002","13.9367","0.0006","90","","108.393","0.004","90","","896.72","0.07","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Piperazine-1,4-diium dibromide monohydrate","","- C4 H14 Br2 N2 O -","- C4 H14 Br2 N2 O -","- C16 H56 Br8 N8 O4 -","4","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.0243","0.0201","","","0.0471","0.0491","","","","","","1.105","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512622","6.5186","0.0003","7.495","0.0003","8.1312","0.0004","64.635","0.004","68.06","0.004","69.507","0.004","324.3","0.03","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Piperazine-1,4-diium diiodide diiodine","","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","1","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.0252","0.0226","","","0.0549","0.0569","","","","","","1.12","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512623","21.2314","0.0012","6.6965","0.0006","10.3708","0.0009","90","","103.438","0.004","90","","1434.1","0.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0827","0.078","","","0.1965","0.2054","","","","","","1.079","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512624","21.1952","0.0013","6.681","0.0004","10.3392","0.0006","90","","103.813","0.003","90","","1421.74","0.15","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0777","0.0629","","","0.1483","0.1606","","","","","","1.071","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512625","20.1876","0.0005","7.0488","0.0002","19.8165","0.0005","90","","90","","90","","2819.86","0.13","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C64 H136 B80 N8 O8 -","8","2","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0354","0.0349","","","0.0908","0.0914","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512626","10.3264","0.0005","6.7084","0.0003","10.3786","0.0005","90","","104.834","0.0011","90","","695","0.06","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C16 H34 B20 N2 O2 -","2","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0354","0.0354","","","0.1059","0.106","","","","","","1.145","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512627","10.3272","0.0009","6.7086","0.0008","10.3847","0.0008","90","","104.836","0.004","90","","695.48","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C16 H34 B20 N2 O2 -","2","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0427","0.037","","","0.0975","0.1016","","","","","","1.056","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512628","17.4673","0.0005","10.1711","0.0003","25.4393","0.0009","90","","99.234","0.0012","90","","4461","0.2","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C96 H204 B120 N12 O12 -","12","3","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","0.71073","MoKα","","0.069","0.0505","","","0.1422","0.1582","","","","","","1.017","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512629","6.9604","0.0006","8.9624","0.0008","21.6124","0.0019","90","","90","","90","","1348.2","0.2","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0381","0.0373","","","0.0984","0.0991","","","","","","1.079","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512630","6.9607","0.0002","8.9631","0.0003","21.6081","0.0007","90","","90","","90","","1348.12","0.07","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0456","0.0452","","","0.1192","0.1199","","","","","","1.071","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512631","11.1172","0.0006","7.088","0.0004","20.8811","0.0015","90","","95.55","0.004","90","","1637.69","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 B10 I N O -","- C8 H16 B10 I N O -","- C32 H64 B40 I4 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","0.71073","MoKα","","0.077","0.0466","","","0.1339","0.1601","","","","","","1.121","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512632","7.4141","0.0009","14.2828","0.0015","9.2478","0.0009","90","","90","","90","","979.29","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","0.71073","MoKα","","0.0762","0.0459","","","0.0818","0.0969","","","","","","1.078","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512633","13.827","0.002","7.142","0.004","23.804","0.003","90","","90.925","0.005","90","","2350.4","1.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","(est)(pfn)","estrone:perfluoronaphthalene 1:1","","- C28 H22 F8 O2 -","- C28 H22 F8 O2 -","- C112 H88 F32 O8 -","4","2","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.1668","0.0671","","","0.0999","0.1196","","","","","","0.909","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512634","7.349","0.0007","18.363","0.0018","18.6054","0.0018","90","","90","","90","","2510.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(bes)(phe)","beta-estradiol:phenanthrene 1:1","","- C32 H34 O2 -","- C32 H34 O2 -","- C128 H136 O8 -","4","1","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.0411","0.037","","","0.0966","0.0997","","","","","","1.053","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512635","7.395","0.008","18.402","0.019","18.563","0.019","90","","90","","90","","2526","5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bes)bhq)","beta-estradiol:benzo[h]quinoline 1:1","","- C31 H33 N O2 -","- C31 H33 N O2 -","- C124 H132 N4 O8 -","4","1","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.0452","0.0366","","","0.0861","0.0914","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512636","7.4099","0.0004","15.8244","0.0009","19.9836","0.0012","90","","90","","90","","2343.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(bes)(dmn)","beta-estradiol:1,2-dimethylnaphthalene 1:1","","- C30 H36 O2 -","- C30 H36 O2 -","- C120 H144 O8 -","4","1","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.0414","0.0371","","","0.0898","0.0927","","","","","","1.023","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512637","24.8834","0.0005","22.8378","0.0005","24.3802","0.0006","90","","105.497","0.007","90","","13351.1","0.7","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H65 Cr2 Mn2 N3 O37 -","- C53 H65 Cr2 Mn2 N3 O37 -","- C424 H520 Cr16 Mn16 N24 O296 -","8","2","","Endo, Toru; Kubo, Kazuya; Yoshitake, Masashi; Noro, Shin-ichiro; Hoshino, Norihisa; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Three-Dimensional Architectures of [MnIICrIII(oxalate)3]−Complexes with Cage-Type Networks Surrounding Supramolecular Cations","Crystal Growth & Design","2015","15","3","1186","","10.1021/cg501560z","","","0.71075","MoKα","","","0.0907","","","","0.2762","","","","","","1.023","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512638","16.8907","0.0006","14.2315","0.0004","32.9968","0.001","90","","91.3408","0.0011","90","","7929.6","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43.5 Cr F Mn N O19 -","- C33 H43.5 Cr F Mn N O19 -","- C264 H348 Cr8 F8 Mn8 N8 O152 -","8","2","","Endo, Toru; Kubo, Kazuya; Yoshitake, Masashi; Noro, Shin-ichiro; Hoshino, Norihisa; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Three-Dimensional Architectures of [MnIICrIII(oxalate)3]−Complexes with Cage-Type Networks Surrounding Supramolecular Cations","Crystal Growth & Design","2015","15","3","1186","","10.1021/cg501560z","","","0.71075","MoKα","","0.1128","0.0588","","","0.1332","0.1566","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512639","6.7668","0.0001","18.7189","0.0003","8.5717","0.0006","90","","90","","90","","1085.75","0.08","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Sm -","- C5 H9 N2 O8 Sm -","- C20 H36 N8 O32 Sm4 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71075","MoKα","","0.0396","0.0323","","","0.0598","0.0726","","","","","","1.159","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512640","6.6667","0.0009","18.408","0.003","8.4468","0.0011","90","","90","","90","","1036.6","0.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Ho N2 O8 -","- C5 H9 Ho N2 O8 -","- C20 H36 Ho4 N8 O32 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0237","0.0236","","","0.0596","0.0597","","","","","","1.161","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512641","6.6375","0.0004","18.2953","0.001","8.4058","0.0005","90","","90","","90","","1020.76","0.1","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Tm -","- C5 H9 N2 O8 Tm -","- C20 H36 N8 O32 Tm4 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0206","0.0204","","","0.0494","0.0495","","","","","","1.203","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512642","6.6174","0.0009","18.2","0.003","8.3777","0.0012","90","","90","","90","","1009","0.3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Lu N2 O8 -","- C5 H9 Lu N2 O8 -","- C20 H36 Lu4 N8 O32 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0334","0.0332","","","0.0873","0.0875","","","","","","1.143","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512643","11.2621","0.0011","7.1374","0.0007","6.5867","0.0006","90","","109.523","0.001","90","","499.01","0.08","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Y -","- C5 H9 N2 O8 Y -","- C10 H18 N4 O16 Y2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0312","0.0312","","","0.0797","0.0797","","","","","","1.039","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512644","11.43","0.004","7.22","0.003","6.655","0.002","90","","109.912","0.004","90","","516.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Sm -","- C5 H9 N2 O8 Sm -","- C10 H18 N4 O16 Sm2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0351","0.0332","","","0.0886","0.0889","","","","","","1.167","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512645","11.4164","0.0016","7.1985","0.001","6.6405","0.0009","90","","109.829","0.002","90","","513.37","0.12","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Eu N2 O8 -","- C5 H9 Eu N2 O8 -","- C10 H18 Eu2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0252","0.0252","","","0.0638","0.0638","","","","","","1.03","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512646","11.38","0.004","7.182","0.002","6.628","0.002","90","","109.754","0.004","90","","509.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Gd N2 O8 -","- C5 H9 Gd N2 O8 -","- C10 H18 Gd2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0238","0.0238","","","0.0603","0.0603","","","","","","1.039","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512647","11.3379","0.001","7.1677","0.0006","6.608","0.0006","90","","109.69","0.001","90","","505.61","0.08","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Tb -","- C5 H9 N2 O8 Tb -","- C10 H18 N4 O16 Tb2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0326","0.0326","","","0.086","0.086","","","","","","1.076","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512648","11.2487","0.0009","7.1296","0.0006","6.5731","0.0005","90","","109.51","0.001","90","","496.89","0.07","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Ho N2 O8 -","- C5 H9 Ho N2 O8 -","- C10 H18 Ho2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0152","0.0152","","","0.0381","0.0381","","","","","","1.097","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512649","11.172","0.002","7.102","0.0015","6.539","0.0013","90","","109.472","0.002","90","","489.15","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Tm -","- C5 H9 N2 O8 Tm -","- C10 H18 N4 O16 Tm2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0177","0.0177","","","0.0438","0.0438","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512650","11.127","0.002","7.087","0.0015","6.5183","0.0014","90","","109.334","0.002","90","","485.03","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Yb -","- C5 H9 N2 O8 Yb -","- C10 H18 N4 O16 Yb2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0522","0.0522","","","0.1361","0.1361","","","","","","1.08","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512651","11.081","0.003","7.0226","0.0018","6.485","0.0017","90","","109.129","0.004","90","","476.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Lu N2 O8 -","- C5 H9 Lu N2 O8 -","- C10 H18 Lu2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0105","0.0105","","","0.0285","0.0285","","","","","","1.104","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512652","7.135","0.001","15.15","0.001","13.955","0.001","90","0.001","97.408","0.002","90","0.001","1495.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","piroxicam","","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Horstman, Elizabeth M.; Goyal, Sachit; Pawate, Ashtamurthy; Lee, Garam; Zhang, Geoff G. Z.; Gong, Yuchuan; Kenis, Paul J. A.","Crystallization Optimization of Pharmaceutical Solid Forms with X-ray Compatible Microfluidic Platforms","Crystal Growth & Design","2015","15","3","1201","","10.1021/cg5016065","","","0.72932","","","0.1506","0.1462","","","0.2483","0.2522","","","","","","0.796","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512653","12.8823","0.0017","7.2371","0.0008","12.9568","0.0017","90","","119.16","0.018","90","","1054.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-methyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Design and Synthesis of 2-Pyridone Based Flexible Dimers and Their Conformational Study through X-ray Diffraction and Density Functional Theory: Perspective of Cyclooxygenase-2 Inhibition","Crystal Growth & Design","2015","15","3","1430","","10.1021/cg501793v","","","0.71073","MoKα","","0.0731","0.0521","","","0.1507","0.1718","","","","","","1.023","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512654","15.2675","0.0012","11.6921","0.0009","13.8153","0.001","90","","102.428","0.007","90","","2408.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Design and Synthesis of 2-Pyridone Based Flexible Dimers and Their Conformational Study through X-ray Diffraction and Density Functional Theory: Perspective of Cyclooxygenase-2 Inhibition","Crystal Growth & Design","2015","15","3","1430","","10.1021/cg501793v","","","0.71073","MoKα","","0.0819","0.0529","","","0.1365","0.1547","","","","","","1.017","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512655","19.18","0.003","7.9406","0.0011","20.324","0.002","90","","107.147","0.013","90","","2957.8","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 N4 O2 -","- C35 H30 N4 O2 -","- C140 H120 N16 O8 -","4","0.5","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Design and Synthesis of 2-Pyridone Based Flexible Dimers and Their Conformational Study through X-ray Diffraction and Density Functional Theory: Perspective of Cyclooxygenase-2 Inhibition","Crystal Growth & Design","2015","15","3","1430","","10.1021/cg501793v","","","0.71073","MoKα","","0.1401","0.0619","","","0.1214","0.1594","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512656","9.3775","0.0006","9.6247","0.0006","10.3197","0.0006","75.145","0.004","63.674","0.003","79.154","0.004","803.92","0.09","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cu N5 O4 -","- C14 H17 Cu N5 O4 -","- C28 H34 Cu2 N10 O8 -","2","1","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.0687","0.0451","","","0.1165","0.132","","","","","","1.086","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512657","17.8116","0.0005","18.5505","0.0006","16.688","0.0005","90","","107.597","0.002","90","","5255.9","0.3","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H21.25 Cl2 Cu N9.25 O8 -","- C20 H21.25 Cl2 Cu N9.25 O8 -","- C160 H170 Cl16 Cu8 N74 O64 -","8","2","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.0867","0.0501","","","0.1196","0.1426","","","","","","1.014","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512658","9.7533","0.0003","16.7961","0.0004","7.9741","0.0002","90","","111.478","0.001","90","","1215.58","0.06","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu2 I2 N4 -","- C8 H8 Cu2 I2 N4 -","- C32 H32 Cu8 I8 N16 -","4","1","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.0269","0.0206","","","0.0418","0.0437","","","","","","1.031","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512659","15.0798","0.0006","15.0798","0.0006","15.0798","0.0006","90","","90","","90","","3429.2","0.2","296","2","296","","","","","","","","","6","P 43 3 2","P 4acd 2ab 3","212","","","","- C30 H30 B2 Cu2 F8 N12 -","- C30 H30 B2 Cu2 F8 N12 -","- C120 H120 B8 Cu8 F32 N48 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.049","0.0386","","","0.0717","0.0767","","","","","","1.057","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512660","15.1915","0.001","15.1915","0.001","15.1915","0.001","90","","90","","90","","3505.9","0.4","296","2","296","","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C30 H30 Cl2 Cu2 N12 O8 -","- C30 H30 Cl2 Cu2 N12 O8 -","- C120 H120 Cl8 Cu8 N48 O32 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.048","0.0398","","","0.0772","0.0814","","","","","","1.072","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512661","14.9","0.0005","14.9","0.0005","14.9","0.0005","90","","90","","90","","3307.95","0.19","296","2","296.15","","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C30 H30 Cu2 N14 O6 -","- C30 H30 Cu2 N13.98 O5.98 -","- C120 H120 Cu8 N55.92 O23.92 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.0319","0.0281","","","0.0759","0.0774","","","","","","1.056","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512662","11.2261","0.0005","11.5771","0.0005","14.337","0.0007","111.278","0.004","95.599","0.004","110.426","0.004","1572.58","0.15","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu2 N13 O8 -","- C26 H27 Cl2 Cu2 N13 O8 -","- C52 H54 Cl4 Cu4 N26 O16 -","2","1","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","1.5418","CuKα","","0.0304","0.0295","","","0.0755","0.0762","","","","","","1.054","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512663","15.0849","0.0002","15.0849","0.0002","15.0849","0.0002","90","","90","","90","","3432.63","0.08","120.01","0.1","120.01","0.1","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C30 H29 B2 Cu2 F9 N12 -","- C30 H29.01 B2 Cu2 F8.99 N12 -","- C120 H116.04 B8 Cu8 F35.96 N48 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","1.5418","CuKα","","0.0556","0.0547","","","0.1562","0.1576","","","","","","1.06","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512664","13.3566","0.0002","26.8329","0.0005","12.1604","0.0002","90","","105.069","0.002","90","","4208.38","0.13","290.81","0.1","290.81","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu2 F12 N12 P2 -","- C36 H36 Cu2 F12 N12 P2 -","- C144 H144 Cu8 F48 N48 P8 -","4","0.5","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","1.54184","CuKα","","0.0344","0.0329","","","0.0864","0.0876","","","","","","1.106","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512665","15.1782","0.0003","15.1782","0.0003","15.1782","0.0003","90","","90","","90","","3496.72","0.12","120.01","0.1","120.01","0.1","","","","","","","","6","P 43 3 2","P 4acd 2ab 3","212","","","","- C30 H30 Cl2 Cu2 N12 O8 -","- C30 H30 Cl2 Cu2 N12 O8 -","- C120 H120 Cl8 Cu8 N48 O32 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","1.5418","CuKα","","0.0387","0.0348","","","0.0903","0.0928","","","","","","1.058","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512666","7.1792","","8.8975","","4.8117","","90.281","","93.692","","102.185","","299.755","","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Co1.478 O9 V3 -","- Co1.47435 O9 V2.9328 -","- Co2.9487 O18 V5.8656 -","2","1","","Drees, Yvo; Agrestini, Stefano; Zaharko, Oksana; Komarek, Alexander Christoph","Floating Zone Single Crystal Growth of γ-CoV2O6with Substantially Enhanced Crystal Size and Quality","Crystal Growth & Design","2015","15","3","1168","","10.1021/cg5015303","","x-ray","0.71069","MoKα","","0.0209","0.0185","","","0.0498","0.0505","","","","1.8","1.8","1.76","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512682","15.4272","0.0002","29.416","0.0004","16.356","0.0002","90","","94.595","0.001","90","","7398.6","0.17","100","2","100","2","","","","","","","","4","I 2/c 1 1","-I 2yc","15","","","","- C24 H8 O14.5 Zn2.5 -","- C24 H11 O14.5 Zn2.5 -","- C192 H88 O116 Zn20 -","8","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.0778","0.0652","","","0.1919","0.205","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512683","16.2364","0.0007","16.9453","0.001","18.8524","0.0007","114.997","0.005","90.916","0.003","113.54","0.005","4201.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H19 O24 Zn3.5 -","- C48 H19 O24 Zn3.5 -","- C96 H38 O48 Zn7 -","2","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.0757","0.0533","","","0.1296","0.1385","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512684","12.4752","0.0007","15.3763","0.0009","17.9551","0.0012","69.517","0.006","75.565","0.005","86.284","0.005","3123.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H12 O19 Zn3 -","- C36 H12 O19 Zn3 -","- C72 H24 O38 Zn6 -","2","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.1035","0.0918","","","0.2509","0.265","","","","","","1.011","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512685","9.5137","0.0003","16.1134","0.0004","27.5845","0.0007","91.802","0.002","91.489","0.002","94.441","0.002","4212.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H20 O26 Zn4 -","- C48 H20 O26 Zn4 -","- C96 H40 O52 Zn8 -","2","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.0631","0.0575","","","0.1719","0.1757","","","","","","1.099","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512686","15.0872","0.0005","9.0103","0.0003","24.9822","0.0008","90","","98.24","0.003","90","","3361.03","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 O12 Zn2 -","- C24 H8 O12 Zn2 -","- C96 H32 O48 Zn8 -","4","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.073","0.0437","","","0.1073","0.1172","","","","","","0.989","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512687","9.9119","0.0016","12.19","0.002","15.309","0.003","69.158","0.002","85.313","0.003","74.516","0.003","1665.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Co N4 O5 -","- C34 H36 Co N4 O5 -","- C68 H72 Co2 N8 O10 -","2","1","","Manna, Paulami; Das, Samar K.","Perceptive Approach in Assessing Rigidity versus Flexibility in the Construction of Diverse Metal‒Organic Coordination Networks: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","3","1407","","10.1021/cg501787m","","","0.71073","MoKα","","0.0967","0.0819","","","0.2219","0.2348","","","","","","1.089","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512688","11.3824","0.001","13.2476","0.0012","18.3587","0.0017","90","","95.487","0.002","90","","2755.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Co N4 O4 -","- C32 H32 Co N4 O4 -","- C128 H128 Co4 N16 O16 -","4","1","","Manna, Paulami; Das, Samar K.","Perceptive Approach in Assessing Rigidity versus Flexibility in the Construction of Diverse Metal‒Organic Coordination Networks: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","3","1407","","10.1021/cg501787m","","","0.71073","MoKα","","0.0514","0.0422","","","0.1111","0.1179","","","","","","1.038","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512689","6.9275","0.0008","21.796","0.004","20.941","0.003","90","","91.218","0.01","90","","3161.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Co N4 O5 -","- C32 H30 Co N4 O5 -","- C128 H120 Co4 N16 O20 -","4","1","","Manna, Paulami; Das, Samar K.","Perceptive Approach in Assessing Rigidity versus Flexibility in the Construction of Diverse Metal‒Organic Coordination Networks: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","3","1407","","10.1021/cg501787m","","","0.71073","MoKα","","0.0877","0.0579","","","0.1849","0.2214","","","","","","0.788","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512690","12.046","0.003","12.344","0.003","14.451","0.003","114.793","0.004","95.386","0.004","102.565","0.004","1862","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Co2 N4 O8 -","- C42 H38 Co2 N4 O8 -","- C84 H76 Co4 N8 O16 -","2","1","","Manna, Paulami; Das, Samar K.","Perceptive Approach in Assessing Rigidity versus Flexibility in the Construction of Diverse Metal‒Organic Coordination Networks: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","3","1407","","10.1021/cg501787m","","","0.71073","MoKα","","0.0638","0.0595","","","0.1328","0.1351","","","","","","1.211","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512691","9.8389","0.0019","13.094","0.003","17.479","0.003","68.463","0.003","75.262","0.003","80.671","0.003","2019.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 N3 O7 S2 -","- C43 H45 N3 O7 S2 -","- C86 H90 N6 O14 S4 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.0551","0.0437","","","0.1078","0.1168","","","","","","1.026","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512692","10.0725","0.0007","12.7166","0.0008","17.3538","0.0011","111.334","0.001","96.367","0.001","101.77","0.001","1984.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H39 Br2 N3 O5 S2 -","- C41 H39 Br2 N3 O5 S2 -","- C82 H78 Br4 N6 O10 S4 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.043","0.0356","","","0.093","0.0974","","","","","","1.052","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512693","27.226","0.004","20.765","0.003","31.191","0.004","90","","90","","90","","17634","4","153","2","153.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41.5 H37.5 Cl1.5 N5 O8 S2 -","- C41.5 H37.5 Cl1.5 N5 O8 S2 -","- C664 H600 Cl24 N80 O128 S32 -","16","2","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.1251","0.0782","","","0.2096","0.2351","","","","","","1.025","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512694","9.986","0.003","54.639","0.016","31.711","0.01","90","","99.004","0.006","90","","17089","9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H47.5 F12 N1.5 O4 S2 -","- C30.5 H19.5 F12 N1.5 O4 S2 -","- C488 H312 F192 N24 O64 S32 -","16","2","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.2161","0.0839","","","0.1849","0.2269","","","","","","0.867","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512695","11.648","0.0018","13.432","0.002","15.472","0.002","105.643","0.002","109.855","0.002","98.858","0.003","2110.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H44 B F4 N3 O4 S2 -","- C43 H44 B F4 N3 O4 S2 -","- C86 H88 B2 F8 N6 O8 S4 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.0604","0.0514","","","0.1367","0.1456","","","","","","1.025","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512696","14.727","0.004","15.082","0.004","21.992","0.006","83.367","0.005","89.98","0.005","84.521","0.005","4830","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H114 N6 O19 S6 -","- C98 H114 N6 O19 S6 -","- C196 H228 N12 O38 S12 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.2375","0.0931","","","0.1682","0.2351","","","","","","1.002","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512697","11.748","0.005","12.75","0.005","13.028","0.006","97.514","0.009","95.518","0.01","94.73","0.008","1916.8","1.4","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 N2 O4 S3 -","- C42 H42 N2 O4 S3 -","- C84 H84 N4 O8 S6 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.254","0.1223","","","0.2586","0.3246","","","","","","1.056","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512698","7.96","0.003","10.86","0.004","12.852","0.004","101.699","0.007","97.68","0.007","95.72","0.006","1068.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N4 O4 S2 -","- C48 H46 N4 O4 S2 -","- C48 H46 N4 O4 S2 -","1","0.5","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.0985","0.0611","","","0.1297","0.1538","","","","","","1.041","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512699","6.3546","0.0005","8.189","0.0006","11.3041","0.0009","77.928","0.002","82.174","0.003","89.557","0.002","569.74","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Au N4 S2 -","- C7 H9 Au N4 S2 -","- C14 H18 Au2 N8 S4 -","2","1","","Aoyagi, Noboru; Shinha, Yusuke; Ikeda-Ohno, Atsushi; Haga, Yoshinori; Shimojo, Kojiro; Brooks, Neil R.; Izuoka, Akira; Naganawa, Hirochika; Kimura, Takaumi; Binnemans, Koen","Photophysical Property ofcatena-Bis(thiocyanato)aurate(I) Complexes in Ionic Liquids","Crystal Growth & Design","2015","15","3","1422","","10.1021/cg501792m","","","0.71075","MoKα","","","0.0481","","","","0.1094","","","","","","1.499","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512700","6.3317","0.0006","8.1709","0.0008","11.3131","0.0009","77.949","0.003","82.181","0.002","89.668","0.003","566.92","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Au N4 S2 -","- C7 H9 Au N4 S2 -","- C14 H18 Au2 N8 S4 -","2","1","","Aoyagi, Noboru; Shinha, Yusuke; Ikeda-Ohno, Atsushi; Haga, Yoshinori; Shimojo, Kojiro; Brooks, Neil R.; Izuoka, Akira; Naganawa, Hirochika; Kimura, Takaumi; Binnemans, Koen","Photophysical Property ofcatena-Bis(thiocyanato)aurate(I) Complexes in Ionic Liquids","Crystal Growth & Design","2015","15","3","1422","","10.1021/cg501792m","","","0.71075","MoKα","","0.0933","0.0534","","","0.1271","0.1687","","","","","","0.89","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512701","54.076","0.004","15.3088","0.0006","16.0309","0.0006","90","","90","","90","","13271","1.2","100","","100","","","","","","","","","5","C m c 21","C 2c -2","36","Compound 3","[Me2NH2][Me4N]2[Zn4(5-HIPA)2(H-5-HIPA)2.5].3DMF","","- C46 H45.5 N3 O22.5 Zn4 -","- C46 H45.5 N3 O22.5 Zn4 -","- C368 H364 N24 O180 Zn32 -","8","1","","Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.","Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate","Crystal Growth & Design","2015","15","3","1452","","10.1021/cg501808y","","","0.71073","MoKα","","0.2127","0.106","","","0.1868","0.2257","","","","","","0.969","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512702","14.3288","0.0009","13.2643","0.0008","14.3563","0.001","90","","91.296","0.006","90","","2727.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyridine","","","- C20 H22 N2 O10 Zn2 -","- C20 H22 N2 O10 Zn2 -","- C80 H88 N8 O40 Zn8 -","4","1","","Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.","Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate","Crystal Growth & Design","2015","15","3","1452","","10.1021/cg501808y","","","0.71073","MoKα","","0.0639","0.0631","","","0.1706","0.1715","","","","","","1.041","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512703","16.808","0.003","12.964","0.003","14.513","0.003","90","","108.46","0.03","90","","2999.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 4","","","- C20 H22 N2 O10 Zn2 -","- C20 H22 N2 O10 Zn2 -","- C80 H88 N8 O40 Zn8 -","4","1","","Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.","Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate","Crystal Growth & Design","2015","15","3","1452","","10.1021/cg501808y","","","0.71073","MoKα","","0.0624","0.0577","","","0.1647","0.1689","","","","","","1.088","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512704","23.6519","0.0017","13.0546","0.0009","26.462","0.0019","90","","115.424","0.003","90","","7379.3","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N O11 Zn2 -","- C18 H14 N O11 Zn2 -","- C144 H112 N8 O88 Zn16 -","8","1","","Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.","Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate","Crystal Growth & Design","2015","15","3","1452","","10.1021/cg501808y","","","0.71075","MoKα","","0.1628","0.0993","","","0.2577","0.2899","","","","","","1.038","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512705","7.1529","0.0009","9.578","0.0012","10.6022","0.0014","111.166","0.001","105.862","0.002","90.91","0.002","646.23","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","coronene-(MeO)2TCNQ","","","- C38 H20 N4 O2 -","- C38 H20 N4 O2 -","- C38 H20 N4 O2 -","1","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Saito, Gunzi","Structure‒Property Relationship of Supramolecular Rotators of Coronene in Charge-Transfer Solids","Crystal Growth & Design","2015","15","3","1389","","10.1021/cg5017774","","","0.71073","MoKα","","0.0628","0.0395","","","0.0981","0.1075","","","","","","0.99","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512706","7.1218","0.0005","9.5682","0.0007","18.7393","0.0013","90","","92.752","0.001","90","","1275.48","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","coronene-Me2TCNQ","","","- C38 H20 N4 -","- C38 H20 N4 -","- C76 H40 N8 -","2","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Saito, Gunzi","Structure‒Property Relationship of Supramolecular Rotators of Coronene in Charge-Transfer Solids","Crystal Growth & Design","2015","15","3","1389","","10.1021/cg5017774","","","0.71073","MoKα","","0.0468","0.0409","","","0.1089","0.1134","","","","","","1.054","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512707","7.0039","0.0006","8.6312","0.0008","11.3183","0.001","109.504","0.001","104.794","0.001","90.131","0.001","620.69","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","coronene-F4TCNQ","","","- C36 H12 F4 N4 -","- C36 H12 F4 N4 -","- C36 H12 F4 N4 -","1","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Saito, Gunzi","Structure‒Property Relationship of Supramolecular Rotators of Coronene in Charge-Transfer Solids","Crystal Growth & Design","2015","15","3","1389","","10.1021/cg5017774","","","0.71073","MoKα","","0.0374","0.0309","","","0.0864","0.0911","","","","","","1.066","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512708","10.8738","0.001","7.1375","0.0007","15.7691","0.0015","90","","106.534","0.001","90","","1173.26","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","coronene-TCNQ","","","- C36 H16 N4 -","- C36 H16 N4 -","- C72 H32 N8 -","2","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Saito, Gunzi","Structure‒Property Relationship of Supramolecular Rotators of Coronene in Charge-Transfer Solids","Crystal Growth & Design","2015","15","3","1389","","10.1021/cg5017774","","","0.71073","MoKα","","0.044","0.0342","","","0.0883","0.0938","","","","","","1.041","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512709","20.013","0.004","14.177","0.003","33.261","0.005","90","","117.343","0.009","90","","8383","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 N6 O8 Zn2 -","- C60 H42 N6 O8 Zn2 -","- C240 H168 N24 O32 Zn8 -","4","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.1584","0.0885","","","0.2268","0.2447","","","","","","0.947","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512710","11.7865","0.0019","16.716","0.003","52.892","0.008","90","","90","","90","","10421","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C52 H42 Cd3 N5 O14 -","- C52 H42 Cd3 N5 O14 -","- C416 H336 Cd24 N40 O112 -","8","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.078","0.0689","","","0.1505","0.1549","","","","","","1.046","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512711","9.0216","0.0007","12.2722","0.0009","12.8688","0.001","83.241","0.001","70.771","0.001","75.626","0.002","1302.16","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N3 O4 Zn -","- C29 H21 N3 O4 Zn -","- C58 H42 N6 O8 Zn2 -","2","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.0441","0.0341","","","0.0826","0.0857","","","","","","1.041","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512712","33.445","0.004","18.132","0.002","25.069","0.003","90","","97.668","0.002","90","","15067","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H53 F12 N9 O13 Zn3 -","- C90 H53 F12 N9 O13 Zn3 -","- C720 H424 F96 N72 O104 Zn24 -","8","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.057","0.0426","","","0.1141","0.122","","","","","","1.064","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512713","11.7771","0.0005","18.4955","0.0007","25.375","0.0009","90","","105.146","0.002","90","","5335.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H34 Cd2 F8 N6 O8 -","- C60 H34 Cd2 F8 N6 O8 -","- C240 H136 Cd8 F32 N24 O32 -","4","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.0422","0.0338","","","0.0831","0.0863","","","","","","1.056","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512714","15.5077","0.0011","7.3367","0.0004","16.5357","0.001","90","","95.938","0.0016","90","","1871.3","0.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","<i>cis</i>Diiodidobis(8-aminoquinoline-κ^2^<i>N,N'</i>) cadmium(II)","","- C18 H16 Cd I2 N4 -","- C18 H16 Cd I2 N4 -","- C72 H64 Cd4 I8 N16 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0338","0.0326","","","0.0876","0.0885","","","","","","1.061","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512715","8.0468","0.0008","10.9174","0.0011","23.914","0.003","90","","96.61","0.0013","90","","2086.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Br2 Mn N10 O2 -","- C45 H44 Br2 Mn N10 O2 -","- C90 H88 Br4 Mn2 N20 O4 -","2","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0736","0.0453","","","0.1014","0.1157","","","","","","1.022","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512716","15.35","0.003","7.2871","0.0015","16.305","0.003","90","","95.95","0.03","90","","1814","0.6","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H16 I2 Mn N4 -","- C18 H16 I2 Mn N4 -","- C72 H64 I8 Mn4 N16 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0438","0.039","","","0.0993","0.1018","","","","","","1.077","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512717","8.9805","0.0007","12.9269","0.001","32.531","0.002","90","","90","","90","","3776.5","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19.75 Cl2 Cu N4 O2 -","- C18 H19.75 Cl2 Cu N4 O2 -","- C144 H158 Cl16 Cu8 N32 O16 -","8","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.1257","0.0674","","","0.1163","0.1278","","","","","","1.158","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512718","16.279","0.004","14.82","0.003","7.9174","0.0015","90","","91.875","0.008","90","","1909.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cu N6 O7 -","- C18 H18 Cu N6 O7 -","- C72 H72 Cu4 N24 O28 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0886","0.0669","","","0.1795","0.1917","","","","","","1.085","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512719","8.4622","0.0007","14.4899","0.0013","32.093","0.003","90","","90","","90","","3935.1","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>Bis(thiocyananato-κ<i>N</i>)bis(8-aminoquinoline-κ^2^ <i>N,N'</i>)manganese(II)","","- C20 H16 Mn N6 S2 -","- C20 H16 Mn N6 S2 -","- C160 H128 Mn8 N48 S16 -","8","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.051","0.036","","","0.0835","0.0936","","","","","","1.033","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512720","8.867","0.003","9.802","0.003","13.557","0.004","87.584","0.005","75.439","0.004","78.827","0.004","1118.8","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H2 F12 Hg3 S2 -","- C21 H2 F12 Hg3 S2 -","- C42 H4 F24 Hg6 S4 -","2","1","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.0371","0.0276","","","0.0636","0.0677","","","","","","0.984","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512721","19.1438","0.0017","7.0883","0.0007","21.746","0.002","90","","115.736","0.001","90","","2658.2","0.4","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H4 F12 Hg3 S4 -","- C24 H4 F12 Hg3 S4 -","- C96 H16 F48 Hg12 S16 -","4","1","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.0337","0.0298","","","0.0726","0.0742","","","","","","1.082","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512722","7.292","0.002","42.819","0.014","17.234","0.006","90","","93.743","0.004","90","","5370","3","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H4 F12 Hg3 S4 -","- C24 H4 F12 Hg3 S4 -","- C192 H32 F96 Hg24 S32 -","8","2","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.1563","0.0945","","","0.1738","0.1886","","","","","","1.195","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512723","7.476","0.002","13.463","0.004","16.074","0.005","76.545","0.004","83.377","0.004","82.796","0.004","1554.8","0.8","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H8 Cl2 F12 Hg3 S4 -","- C26 H8 Cl2 F12 Hg3 S4 -","- C52 H16 Cl4 F24 Hg6 S8 -","2","1","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.0952","0.0565","","","0.0884","0.1001","","","","","","0.9912","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512724","7.686","0.003","11.779","0.004","17.472","0.006","83.635","0.004","83.177","0.004","85.072","0.004","1556.7","1","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H12 F12 Hg3 Se4 -","- C28 H12 F12 Hg3 Se4 -","- C56 H24 F24 Hg6 Se8 -","2","1","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.0571","0.0366","","","0.0729","0.0782","","","","","","0.939","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512725","27.313","0.018","22.017","0.014","15.836","0.011","90","","103.218","0.01","90","","9271","11","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H45 Cu5 N9 O20 -","- C36 H45 Cu5 N9 O20 -","- C144 H180 Cu20 N36 O80 -","4","0.5","","Deng, Mingli; Yang, Pan; Liu, Xiaofeng; Xia, Bing; Chen, Zhenxia; Ling, Yun; Weng, Linhong; Zhou, Yaming; Sun, Jinyu","End-End Connection Pattern of Trinuclear-Triangular Copper Cluster for Construction of Two Metal‒Organic Frameworks: Syntheses, Structures, Magnetic and Gas Adsorption Properties","Crystal Growth & Design","2015","15","3","1526","","10.1021/acs.cgd.5b00018","","","0.71073","MoKα","","0.1587","0.0841","","","0.2728","0.2941","","","","","","1.012","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512726","22.741","0.002","22.741","0.002","30.38","0.003","90","","90","","120","","13606","2","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C39 H61 Cu4.5 N11 O21 -","- C39 H47 Cu4.5 N11 O21 -","- C234 H282 Cu27 N66 O126 -","6","1","","Deng, Mingli; Yang, Pan; Liu, Xiaofeng; Xia, Bing; Chen, Zhenxia; Ling, Yun; Weng, Linhong; Zhou, Yaming; Sun, Jinyu","End-End Connection Pattern of Trinuclear-Triangular Copper Cluster for Construction of Two Metal‒Organic Frameworks: Syntheses, Structures, Magnetic and Gas Adsorption Properties","Crystal Growth & Design","2015","15","3","1526","","10.1021/acs.cgd.5b00018","","","0.71073","MoKα","","0.1307","0.1025","","","0.2798","0.3073","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512727","13.0503","0.0004","11.4707","0.0003","18.8224","0.0005","90","","91.808","0.001","90","","2816.24","0.14","149","2","149","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 O6 -","- C36 H28 O6 -","- C144 H112 O24 -","4","1","","Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Cocrystallization of 2,3-Dihydroxynaphthalene with Itspara-,meta-, andortho-Ditoluates: Insight into Cocrystal Formation and Clues for the Construction of Supramolecular Assemblies Capable of Intermolecular Acyl Group Transfer Reactivity","Crystal Growth & Design","2015","15","3","1226","","10.1021/cg501620g","","","0.71073","MoKα","","0.0509","0.0412","","","0.1163","0.1268","","","","","","1.03","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512728","11.8212","0.0009","7.5692","0.0006","30.657","0.002","90","","90","","90","","2743.1","0.4","145","2","145","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C144 H112 O24 -","8","1","","Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Cocrystallization of 2,3-Dihydroxynaphthalene with Itspara-,meta-, andortho-Ditoluates: Insight into Cocrystal Formation and Clues for the Construction of Supramolecular Assemblies Capable of Intermolecular Acyl Group Transfer Reactivity","Crystal Growth & Design","2015","15","3","1226","","10.1021/cg501620g","","","0.71073","MoKα","","0.1154","0.0931","","","0.1959","0.2074","","","","","","1.154","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512729","20.9435","0.0003","12.7617","0.0002","23.7998","0.0004","90","","90","","90","","6361.08","0.17","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H28 Mn N10 S2 -","- C30 H28 Mn N10 S2 -","- C240 H224 Mn8 N80 S16 -","8","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MoKα","","0.0555","0.0402","","","0.0957","0.1047","","","","","","1.053","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512730","13.0536","0.0002","8.8996","0.00016","13.0916","0.00019","90","","97.418","0.0015","90","","1508.15","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Mn N10 O2 S2 -","- C28 H24 Mn N10 O2 S2 -","- C56 H48 Mn2 N20 O4 S4 -","2","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","1.54184","CuKα","","0.0302","0.0283","","","0.0691","0.0707","","","","","","0.951","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512731","11.045","0.002","19.751","0.004","9.314","0.0018","90","","95.508","0.01","90","","2022.5","0.7","170","2","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Mn N14 O2 S2 -","- C36 H36 Mn N14 O2 S2 -","- C72 H72 Mn2 N28 O4 S4 -","2","0.5","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MOKα","","0.0454","0.0344","","","0.0887","0.0959","","","","","","1.074","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512732","7.4226","0.0014","10.1016","0.0019","14.561","0.003","100.639","0.009","95.29","0.009","92.487","0.01","1066.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Mn N6 O3 S2 -","- C17 H19 Mn N6 O3 S2 -","- C34 H38 Mn2 N12 O6 S4 -","2","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MoKα","","0.0487","0.0407","","","0.1067","0.1127","","","","","","1.018","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512733","8.788","0.005","24.442","0.013","9.41","0.005","90","","90.151","0.007","90","","2021.2","1.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Mn N14 O2 S2 -","- C34 H32 Mn N14 O2 S2 -","- C68 H64 Mn2 N28 O4 S4 -","2","0.5","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71075","MoKα","","0.0485","0.0447","","","0.1163","0.119","","","","","","1.084","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512734","7.5717","0.0002","21.0577","0.0005","36.3949","0.0009","90","","90","","90","","5802.9","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Mn N10 O3 S2 -","- C26 H22 Mn N10 O3 S2 -","- C208 H176 Mn8 N80 O24 S16 -","8","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MoKα","","0.0772","0.0435","","","0.0981","0.1105","","","","","","1.018","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512735","12.4202","0.0006","13.843","0.0006","13.9603","0.0008","90","","115.446","0.006","90","","2167.4","0.2","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H40 Cu2 N12 O10 -","- C42 H40 Cu2 N12 O10 -","- C84 H80 Cu4 N24 O20 -","2","1","","Guedes, Guilherme P.; Santos, Igor F.; Mercante, Luiza A.; Speziali, Nivaldo L.; Resende, Jackson A. L. C.; Bernardino, Alice M. R.; Andruh, Marius; Vaz, Maria G. F.","A New Quartz-like Metal‒Organic Framework Constructed from a Versatile Pyrazole-Based Spacer","Crystal Growth & Design","2015","15","3","1027","","10.1021/cg5018328","","","0.71073","MoKα","","0.0913","0.0602","","","0.1098","0.1228","","","","","","1.015","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512736","11.3128","0.0016","11.3128","0.0016","34.111","0.007","90","","90","","120","","3780.6","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H26 Cu N6 O9 -","- C20 H26 Cu N6 O9 -","- C120 H156 Cu6 N36 O54 -","6","0.5","","Guedes, Guilherme P.; Santos, Igor F.; Mercante, Luiza A.; Speziali, Nivaldo L.; Resende, Jackson A. L. C.; Bernardino, Alice M. R.; Andruh, Marius; Vaz, Maria G. F.","A New Quartz-like Metal‒Organic Framework Constructed from a Versatile Pyrazole-Based Spacer","Crystal Growth & Design","2015","15","3","1027","","10.1021/cg5018328","","x-ray","1.54184","CuKα","","0.0267","0.025","","","0.0668","0.068","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512737","8.2516","0.0003","8.6933","0.0002","8.9277","0.0003","98.4","0.003","113.166","0.003","92.397","0.002","578.98","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 Br4 N2 S -","- C7 H6 Br4 N2 S -","- C14 H12 Br8 N4 S2 -","2","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti","Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems","Crystal Growth & Design","2015","15","3","1160","","10.1021/cg501482u","","","1.54184","CuKα","","0.0222","0.0221","","","0.0561","0.0562","","","","","","1.16","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512738","3.98635","0.00009","9.2709","0.0002","25.0901","0.0006","90","","90","","90","","927.26","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 Br2 N S2 -","- C7 H5 Br2 N S2 -","- C28 H20 Br8 N4 S8 -","4","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti","Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems","Crystal Growth & Design","2015","15","3","1160","","10.1021/cg501482u","","","1.54184","CuKα","","0.0246","0.0237","","","0.0588","0.0596","","","","","","1.05","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512739","8.5309","0.0005","11.7926","0.0007","13.1939","0.0008","69.389","0.002","81.045","0.002","83.723","0.002","1225.09","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8.5 H8 Br2 Cl N S2 -","- C8.5 H8 Br2 Cl N S2 -","- C34 H32 Br8 Cl4 N4 S8 -","4","2","","Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti","Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems","Crystal Growth & Design","2015","15","3","1160","","10.1021/cg501482u","","","0.71073","MoKα","","0.0355","0.0282","","","0.0717","0.0745","","","","","","1.035","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512740","14.522","0.007","7.817","0.002","10.619","0.013","90","","99.54","0.08","90","","1188.8","1.6","296","2","296","2","230000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.71073","MoKα","","0.2783","0.0833","","","0.1472","0.2189","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512741","14.309","0.005","7.686","0.003","10.47","0.03","90","","99.85","0.09","90","","1135","3","296","2","296","2","600000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.197","0.0817","","","0.192","0.2659","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512742","14.205","0.004","7.6697","0.0019","10.318","0.018","90","","100.09","0.06","90","","1107","2","296","2","296","2","800000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.3808","0.1066","","","0.2426","0.3805","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512743","14.196","0.005","7.638","0.003","10.32","0.02","90","","100.13","0.08","90","","1102","2","296","2","296","2","880000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.1782","0.083","","","0.2124","0.2736","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512744","13.977","0.004","7.536","0.002","10.12","0.02","90","","100.3","0.08","90","","1049","2","296","2","296","2","1700000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.1946","0.0995","","","0.2357","0.3053","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512745","13.9958","0.0017","7.514","0.0012","10.067","0.008","90","","100.41","0.03","90","","1041.3","0.9","296","2","296","2","1890000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.71073","MoKα","","0.1908","0.1904","","","0.2196","0.2845","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512746","13.905","0.003","7.4574","0.0018","10.007","0.012","90","","100.21","0.05","90","","1021.2","1.3","296","2","296","2","2320000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.3235","0.1193","","","0.2684","0.3759","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512747","13.865","0.002","7.4064","0.0015","9.977","0.01","90","","100.27","0.04","90","","1008.1","1","296","2","296","2","2650000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.3194","0.1185","","","0.2768","0.3898","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512748","13.779","0.003","7.324","0.0017","9.844","0.016","90","","100.28","0.06","90","","977.5","1.6","296","2","296","2","3460000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.1915","0.1003","","","0.2351","0.2917","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512749","13.7397","0.0012","7.2685","0.0007","9.804","0.003","90","","100.195","0.007","90","","963.6","0.3","296","2","296","2","4000000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.1693","0.1118","","","0.2593","0.3087","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512750","14.4847","0.0017","7.8321","0.001","10.4907","0.0014","90","","99.743","0.013","90","","1173","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.71073","MoKα","","0.0471","0.0424","","","0.1105","0.1149","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512751","14.5144","0.0005","7.8429","0.0002","10.5297","0.0004","90","","99.609","0.004","90","","1181.83","0.07","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","1.54178","CuKα","","0.0497","0.0451","","","0.1212","0.1254","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512752","14.5609","0.0005","7.857","0.0002","10.5867","0.0004","90","","99.563","0.004","90","","1194.34","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","1.54178","CuKα","","0.053","0.0464","","","0.1256","0.1318","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512753","14.605","0.0006","7.8721","0.0003","10.6507","0.0004","90","","99.525","0.004","90","","1207.65","0.08","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","1.54178","CuKα","","0.0589","0.0484","","","0.1283","0.1371","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512754","14.6737","0.0016","7.895","0.0006","10.7345","0.0017","90","","99.541","0.013","90","","1226.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","1.54178","CuKα","","0.0698","0.0536","","","0.1374","0.1553","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512755","9.3767","0.0004","10.8827","0.0005","12.9208","0.0005","88.646","0.003","86.652","0.003","89.268","0.004","1315.78","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 Cl12 N6 O20 U2 -","- C36 H22 Cl12 N6 O20 U2 -","- C36 H22 Cl12 N6 O20 U2 -","1","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","1.54184","CuKα","","0.0364","0.0286","","","0.0551","0.0588","","","","","","1.008","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512756","9.5038","0.0005","11.1204","0.0006","13.0924","0.0006","89.259","0.004","86.419","0.004","88.384","0.005","1380.35","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 Br12 N6 O20 U2 -","- C36 H22 Br12 N6 O20 U2 -","- C36 H22 Br12 N6 O20 U2 -","1","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","1.54184","CuKα","","0.0305","0.0277","","","0.0661","0.068","","","","","","1.066","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512757","10.1711","0.0003","14.2894","0.0003","10.236","0.0003","90","","113.25","0.003","90","","1366.88","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O8 U -","- C12 H8 N2 O8 U -","- C48 H32 N8 O32 U4 -","4","1","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.034","0.0222","","","0.0589","0.0851","","","","","","1.046","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512758","7.737","0.0004","8.7775","0.0005","11.8091","0.0007","103.284","0.005","98.966","0.005","114.334","0.005","682.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 N O10 U -","- C8 H11 N O10 U -","- C16 H22 N2 O20 U2 -","2","1","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0606","0.0477","","","0.1098","0.1459","","","","","","1.136","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512759","7.2279","0.0018","7.615","0.003","13.593","0.003","90","","91.58","0.02","90","","747.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","1.54184","CuKα","","0.1247","0.1018","","","0.2877","0.3295","","","","","","1.177","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512760","10.8457","0.0004","10.4334","0.0003","14.6939","0.0004","90","","112.159","0.004","90","","1539.92","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C48 H24 Cl16 N8 O16 -","8","1","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0398","0.0347","","","0.0855","0.0892","","","","","","1.1","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512761","8.2621","0.0006","19.378","0.0015","21.87","0.02","90","","90","","90","","3501","3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C11 H6 Cl4 N2 O5 U -","- C11 H6 Cl4 N2 O5 U -","- C88 H48 Cl32 N16 O40 U8 -","8","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0557","0.0445","","","0.1271","0.153","","","","","","1.183","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512762","8.3785","0.0003","19.437","0.0008","22.0629","0.001","90","","90","","90","","3593","0.3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C11 H6 Br4 N2 O5 U -","- C11 H6 Br4 N2 O5 U -","- C88 H48 Br32 N16 O40 U8 -","8","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0355","0.0285","","","0.0643","0.0682","","","","","","1.05","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512763","24.642","0.011","11.524","0.005","7.871","0.004","90","","98.238","0.01","90","","2212.1","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Samigullina, Aida I.; Gubaidullin, Aidar T.","4-Benzoylamino-3-hydroxybutyric Acid, Historically First “Anomalous Racemate”: Reinvestigation","Crystal Growth & Design","2015","15","3","1362","","10.1021/cg5017615","","","0.71073","MoKα","","0.1225","0.0626","","","0.1506","0.183","","","","","","0.979","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512764","24.794","0.005","11.355","0.002","7.7615","0.0014","90","","97.727","0.002","90","","2165.3","0.7","151","2","151","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Samigullina, Aida I.; Gubaidullin, Aidar T.","4-Benzoylamino-3-hydroxybutyric Acid, Historically First “Anomalous Racemate”: Reinvestigation","Crystal Growth & Design","2015","15","3","1362","","10.1021/cg5017615","","","0.71073","MoKα","","0.0604","0.0517","","","0.1305","0.1374","","","","","","1.029","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512765","24.355","0.006","11.626","0.003","7.783","0.002","90","","98.371","0.003","90","","2180.3","1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","2","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Samigullina, Aida I.; Gubaidullin, Aidar T.","4-Benzoylamino-3-hydroxybutyric Acid, Historically First “Anomalous Racemate”: Reinvestigation","Crystal Growth & Design","2015","15","3","1362","","10.1021/cg5017615","","","0.71073","MoKα","","0.0367","0.0332","","","0.0778","0.0802","","","","","","1.032","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512766","9.9813","0.0004","22.0356","0.0008","8.7097","0.0003","90","","108.094","0.001","90","","1820.91","0.12","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 F4 N O2 -","- C23 H13 F4 N O2 -","- C92 H52 F16 N4 O8 -","4","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0365","0.0318","","","0.0848","0.0892","","","","","","1.035","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512767","5.9634","0.0016","8.768","0.002","11.076","0.003","99.846","0.003","105.527","0.003","101.235","0.004","531.8","0.2","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","4-[(2,3,5,6-tetrafluorophenyl)ethynyl]pyridine","","- C13 H5 F4 N -","- C13 H5 F4 N -","- C26 H10 F8 N2 -","2","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0706","0.0409","","","0.1017","0.1194","","","","","","1.019","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512768","5.9023","0.0011","9.8718","0.0019","10.399","0.002","63.113","0.003","74.909","0.003","77.066","0.003","517.8","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-[(2,3,4,5-tetrafluorophenyl)ethynyl]pyridine","","- C13 H5 F4 N -","- C13 H5 F4 N -","- C26 H10 F8 N2 -","2","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0396","0.0344","","","0.0953","0.0992","","","","","","1.071","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512769","13.8283","0.0019","20.692","0.004","7.4577","0.001","90","","121.774","0.002","90","","1814.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cocrystal between 4H,4'H-octafluorobiphenyl and 4,4'-bipyridine","","- C22 H10 F8 N2 -","- C22 H10 F8 N2 -","- C88 H40 F32 N8 -","4","0.5","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0676","0.0475","","","0.132","0.1437","","","","","","1.058","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512770","5.97","0.002","21.499","0.008","8.325","0.003","90","","101.819","0.005","90","","1045.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(2,3,4,5-tetrafluorophenyl)ethynyl]pyridine","","- C13 H5 F4 N -","- C13 H5 F4 N -","- C52 H20 F16 N4 -","4","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0808","0.05","","","0.1252","0.1449","","","","","","1.039","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512771","13.527","0.003","23.296","0.007","7.5729","0.0018","90","","123.553","0.003","90","","1988.8","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cocrystal between 4H,4'H-octafluorobiphenyl and 1,2-bis(4'-pyridyl)ethyne","","- C24 H10 F8 N2 -","- C24 H10 F8 N2 -","- C96 H40 F32 N8 -","4","0.5","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0828","0.0582","","","0.1823","0.1975","","","","","","1.126","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512772","9.9218","0.0009","22.347","0.002","8.706","0.0008","90","","108.145","0.001","90","","1834.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 F3 N O2 -","- C23 H14 F3 N O2 -","- C92 H56 F12 N4 O8 -","4","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0863","0.067","","","0.181","0.1965","","","","","","1.074","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512773","13.59","0.0006","23.0149","0.001","7.498","0.0003","90","","122.641","0.001","90","","1974.79","0.15","99","2","99","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Cocrystal between 4H,4'H-octafluorobiphenyl and trans-1,2-bis(4-pyridyl)ethene","","- C24 H12 F8 N2 -","- C24 H12 F8 N2 -","- C96 H48 F32 N8 -","4","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0323","0.0285","","","0.0738","0.0762","","","","","","1.028","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512774","12.744","0.0004","10.6327","0.0003","15.194","0.0005","79.084","0.003","91.039","0.003","112.735","0.003","1861.06","0.11","105","2","105","2","","","","","","","","3","P -1","-P 1","2","1-ph-105K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C84 H80 O12 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0616","0.0508","","","0.1484","0.1561","","","","","","1.083","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512775","12.7433","0.0003","10.6348","0.0004","15.201","0.0005","79.06","0.003","91.015","0.002","112.618","0.003","1863.6","0.11","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1-ph-120K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C84 H80 O12 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0671","0.0533","","","0.1614","0.1735","","","","","","1.137","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512776","12.7476","0.0003","10.6387","0.0004","15.2324","0.0005","79.015","0.003","90.883","0.002","112.347","0.003","1871.93","0.11","150","2","2150","2","","","","","","","","3","P -1","-P 1","2","1-ph-150K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C84 H80 O12 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0637","0.0514","","","0.1547","0.1648","","","","","","1.077","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512777","12.7551","0.0005","10.6455","0.0004","15.2732","0.0006","78.946","0.003","90.609","0.003","111.831","0.004","1885.22","0.14","195","2","195","2","","","","","","","","3","P -1","-P 1","2","1-ph-195K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C42 H49 O14 -","- C42 H40 O6 -","- C84 H80 O12 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.1003","0.0685","","","0.1939","0.2137","","","","","","1.079","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512778","6.3897","0.0005","10.6703","0.0007","15.2858","0.0007","78.915","0.005","89.737","0.005","110.743","0.01","953.44","0.13","241","2","241","2","","","","","","","","3","P -1","-P 1","2","1-ph-241K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C42 H40 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0738","0.0576","","","0.1769","0.1926","","","","","","1.073","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512779","6.3901","0.0008","10.7089","0.0013","15.3355","0.0014","78.851","0.01","88.9","0.009","109.848","0.016","964.4","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-ph-298K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C42 H40 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0766","0.0582","","","0.1841","0.2001","","","","","","1.086","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512780","10.0427","0.0002","9.9362","0.0002","17.0473","0.0003","90","","89.858","0.002","90","","1701.08","0.06","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-115K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.552 O6 -","- C88 H87.104 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0413","0.0359","","","0.0872","0.0915","","","","","","1.051","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512781","10.0555","0.0002","9.9631","0.0002","17.0629","0.0004","90","","89.896","0.002","90","","1709.43","0.06","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-150K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.534 O6.002 -","- C88 H87.068 O12.004 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0451","0.0377","","","0.0922","0.098","","","","","","1.035","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512782","10.0719","0.0004","9.9812","0.0003","17.0625","0.0005","90","","89.976","0.003","90","","1715.29","0.1","185","2","185","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-185K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.544 O6 -","- C88 H87.088 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0612","0.0432","","","0.0962","0.1044","","","","","","1.041","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512783","10.0834","0.0003","10.0094","0.0003","17.0724","0.0004","90","","89.995","0.002","90","","1723.1","0.08","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-220K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.504 O6 -","- C88 H87.008 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0533","0.0395","","","0.0939","0.1013","","","","","","1.033","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512784","10.0929","0.0003","10.0317","0.0003","17.0959","0.0005","90","","90.04","0.003","90","","1730.94","0.09","255","2","255","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-255K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.448 O6 -","- C88 H86.896 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0496","0.0393","","","0.0953","0.1038","","","","","","1.033","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512785","10.1086","0.0003","10.0637","0.0003","17.1197","0.0006","90","","90.023","0.004","90","","1741.59","0.1","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-298K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.374 O6 -","- C88 H86.748 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0586","0.0434","","","0.1017","0.1129","","","","","","1.026","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512786","6.1632","0.0003","10.7711","0.0005","15.6073","0.0008","99.099","0.004","98.303","0.004","101.279","0.004","986.7","0.09","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1-mc-120K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0621","0.0527","","","0.1598","0.1667","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512787","6.1775","0.0003","10.8049","0.0006","15.6264","0.0009","99.136","0.005","98.214","0.005","101.257","0.005","993.56","0.1","165","2","165","2","","","","","","","","3","P -1","-P 1","2","1-mc-165K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0686","0.0546","","","0.1662","0.1785","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512788","6.1919","0.0004","10.8293","0.0006","15.6534","0.001","99.198","0.005","98.123","0.005","101.221","0.005","1000.08","0.11","210","2","210","2","","","","","","","","3","P -1","-P 1","2","1-mc-210K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0731","0.0565","","","0.1783","0.1915","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512789","6.213","0.0004","10.8567","0.0006","15.6818","0.0009","99.23","0.005","98.051","0.005","101.221","0.005","1007.97","0.11","255","2","255","2","","","","","","","","3","P -1","-P 1","2","1-mc-255K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.079","0.0593","","","0.176","0.1899","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512790","6.2326","0.0003","10.8899","0.0007","15.7278","0.0011","99.286","0.005","97.955","0.005","101.21","0.005","1017.38","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-mc-298K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0852","0.0613","","","0.182","0.199","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512791","10.0301","0.001","10.2569","0.0012","10.8246","0.0017","112.504","0.013","117.532","0.013","95.44","0.009","860.7","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-120K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C43.104 H42.976 O5.872 -","- C43.104 H42.976 O5.872 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.1124","0.0645","","","0.1381","0.1635","","","","","","1.024","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512792","10.0433","0.0008","10.306","0.001","10.8398","0.0011","112.454","0.009","117.403","0.009","95.683","0.007","867.4","0.2","165","2","165","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-165K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C43.076 H42.944 O5.868 -","- C43.076 H42.944 O5.868 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0797","0.0533","","","0.1204","0.1347","","","","","","1.037","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512793","10.0464","0.0009","10.3584","0.0011","10.8328","0.0012","112.492","0.01","117.244","0.01","95.864","0.008","871.7","0.2","210","2","210","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-210K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C42.922 H42.768 O5.846 -","- C42.922 H42.768 O5.846 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0915","0.0562","","","0.1286","0.1484","","","","","","1.036","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512794","10.0444","0.0006","10.4376","0.0008","10.8259","0.0008","112.518","0.007","117.072","0.007","96.24","0.005","876.59","0.16","255","2","210","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-255K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C41.732 H41.408 O5.676 -","- C41.732 H41.408 O5.676 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0979","0.068","","","0.1916","0.2152","","","","","","1.05","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512795","10.04","0.0008","10.4946","0.0011","10.819","0.001","112.488","0.01","116.969","0.009","96.574","0.008","879.5","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-298K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C41.172 H40.768 O5.596 -","- C41.172 H40.768 O5.596 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.1254","0.0852","","","0.2412","0.2794","","","","","","1.069","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512796","6.2587","0.0002","10.6139","0.0004","15.7308","0.0005","80.219","0.003","83.34","0.003","73.785","0.003","986.23","0.06","115","2","115","2","","","","","","","","3","P -1","-P 1","2","1-pc-115K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0465","0.0414","","","0.1172","0.1218","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512797","6.2709","0.0002","10.5996","0.0004","15.7476","0.0005","80.347","0.003","83.677","0.003","73.92","0.003","989.29","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1-pc-150K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0573","0.0488","","","0.1435","0.1503","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512798","6.2844","0.0002","10.5867","0.0004","15.7854","0.0005","80.554","0.003","84.113","0.003","74.179","0.003","994.88","0.06","185","2","185","2","","","","","","","","3","P -1","-P 1","2","1-pc-185K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0621","0.051","","","0.1506","0.1608","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512799","6.2958","0.0002","10.5688","0.0004","15.8183","0.0007","80.77","0.003","84.561","0.003","74.402","0.003","999.17","0.07","220","2","220","2","","","","","","","","3","P -1","-P 1","2","1-pc-220K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0671","0.0532","","","0.1609","0.1735","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512800","6.3095","0.0002","10.5564","0.0004","15.8575","0.0007","80.978","0.004","85.049","0.003","74.608","0.003","1004.61","0.07","255","2","255","2","","","","","","","","3","P -1","-P 1","2","1-pc-255K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0747","0.0575","","","0.1726","0.1878","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512801","6.326","0.0003","10.545","0.0005","15.9091","0.0006","81.21","0.003","85.722","0.003","74.966","0.004","1012.22","0.08","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-pc-298K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0828","0.0581","","","0.172","0.1904","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512802","7.4245","0.0004","9.1185","0.0007","9.7082","0.0007","65.447","0.008","81.305","0.006","87.384","0.006","590.84","0.08","118","2","118","2","","","","","","","","3","P -1","-P 1","2","1-gf-118K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0502","0.0406","","","0.1007","0.1068","","","","","","1.059","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512803","7.433","0.0005","9.1346","0.0007","9.726","0.0007","65.509","0.008","81.163","0.006","87.357","0.006","593.71","0.08","154","2","154","2","","","","","","","","3","P -1","-P 1","2","1-gf-154K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0502","0.0394","","","0.0966","0.1024","","","","","","1.05","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512804","7.4305","0.0004","9.1357","0.0007","9.7242","0.0007","65.621","0.008","81.044","0.006","87.369","0.006","593.79","0.08","190","2","190","2","","","","","","","","3","P -1","-P 1","2","1-gf-190K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0529","0.0407","","","0.0985","0.1067","","","","","","1.041","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512805","7.4368","0.0005","9.1491","0.0007","9.7361","0.0008","65.702","0.008","80.946","0.006","87.395","0.006","596.1","0.09","226","2","226","2","","","","","","","","3","P -1","-P 1","2","1-gf-226K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0542","0.0411","","","0.0998","0.1086","","","","","","1.043","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512806","7.448","0.0005","9.1675","0.0008","9.7565","0.0008","65.783","0.008","80.844","0.006","87.403","0.006","599.66","0.09","262","2","262","2","","","","","","","","3","P -1","-P 1","2","1-gf-262K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0576","0.0433","","","0.1017","0.1102","","","","","","1.038","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512807","7.4471","0.0005","9.17","0.0007","9.7603","0.0008","65.866","0.008","80.746","0.006","87.396","0.006","600.2","0.09","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-gf-298K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0646","0.0442","","","0.1074","0.118","","","","","","1.056","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512808","20.603","0.003","8.7468","0.0015","9.7202","0.0016","90","","110.374","0.002","90","","1642.1","0.5","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C14 H8 N4 O12 -","- C13.973 H8 N3.912 O12 -","- C55.892 H32 N15.648 O48 -","4","1","","Simon, Florent; Clevers, Simon; Gbabode, Gabin; Couvrat, Nicolas; Agasse-Peulon, Valérie; Sanselme, Morgane; Dupray, Valerie; Coquerel, Gerard","Enhanced Second Harmonic Generation from an Organic Self-Assembled Eutectic Binary Mixture: A Case Study with 3-Nitrobenzoic and 3,5-Dinitrobenzoic Acids","Crystal Growth & Design","2015","15","2","946","","10.1021/cg5017565","","x-ray","0.71073","MoKα","","0.0403","0.0341","","","0.087","0.0934","","","","","","0.987","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512809","20.603","0.003","8.7468","0.0015","9.7202","0.0016","90","","110.374","0.002","90","","1642.1","0.5","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Simon, Florent; Clevers, Simon; Gbabode, Gabin; Couvrat, Nicolas; Agasse-Peulon, Valérie; Sanselme, Morgane; Dupray, Valerie; Coquerel, Gerard","Enhanced Second Harmonic Generation from an Organic Self-Assembled Eutectic Binary Mixture: A Case Study with 3-Nitrobenzoic and 3,5-Dinitrobenzoic Acids","Crystal Growth & Design","2015","15","2","946","","10.1021/cg5017565","","x-ray","0.71073","MoKα","","0.0429","0.0376","","","0.1021","0.1068","","","","","","1.048","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512810","11.556","0.006","13.451","0.005","16.43","0.012","91","0.02","107","0.02","95.16","0.02","2430","2","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 Cu N2 -","- C6 H9 Cu N2 -","- C78 H117 Cu13 N26 -","13","6.5","","Su, Yu-Jun; Cui, Yi-Lan; Wang, Yu; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Copper(I) 2-Isopropylimidazolate: Supramolecular Isomerism, Isomerization, and Luminescent Properties","Crystal Growth & Design","2015","15","4","1735","","10.1021/cg501737j","","","0.71073","MoKα","","0.1103","0.0751","","","0.1612","0.1879","","","","","","1.035","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512811","11.071","0.003","12.496","0.004","21.806","0.007","90","","92.817","0.006","90","","3013.1","1.6","303","2","303","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Cu N2 -","- C6 H9 Cu N2 -","- C96 H144 Cu16 N32 -","16","4","","Su, Yu-Jun; Cui, Yi-Lan; Wang, Yu; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Copper(I) 2-Isopropylimidazolate: Supramolecular Isomerism, Isomerization, and Luminescent Properties","Crystal Growth & Design","2015","15","4","1735","","10.1021/cg501737j","","","0.71073","MoKα","","0.0823","0.055","","","0.1133","0.1368","","","","","","1.03","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512812","22.204","0.007","22.204","0.007","22.204","0.007","90","","90","","90","","10947","6","303","2","303","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C8 H11 Cu N2 -","- C8.04 H11.04 Cu N2 -","- C385.92 H529.92 Cu48 N96 -","48","0.5","","Su, Yu-Jun; Cui, Yi-Lan; Wang, Yu; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Copper(I) 2-Isopropylimidazolate: Supramolecular Isomerism, Isomerization, and Luminescent Properties","Crystal Growth & Design","2015","15","4","1735","","10.1021/cg501737j","","","0.71073","MoKα","","0.0594","0.0522","","","0.1518","0.1653","","","","","","1.059","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512813","7.9202","0.0008","10.4378","0.0011","10.5434","0.0011","106.871","0.001","101.686","0.002","111.823","0.001","725.51","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim","5-(3, 4, 5-Trimethoxybenzyl)-2, 4-pyrimidinediamine","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C28 H36 N8 O6 -","2","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","Tetramorphs of the Antibiotic Drug Trimethoprim: Characterization and Stability","Crystal Growth & Design","2015","15","4","1745","","10.1021/cg501772t","","","0.71073","MoKα","","0.0388","0.0374","","","0.1002","0.1017","","","","","","1.102","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512814","18.25","0.002","5.958","0.0007","12.7527","0.0014","90","","93.969","0.002","90","","1383.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trimethoprim","5-(3, 4, 5-Trimethoxybenzyl)-2, 4-pyrimidinediamine","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C56 H72 N16 O12 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","Tetramorphs of the Antibiotic Drug Trimethoprim: Characterization and Stability","Crystal Growth & Design","2015","15","4","1745","","10.1021/cg501772t","","","0.71073","MoKα","","0.0428","0.0366","","","0.0939","0.0982","","","","","","1.045","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512817","8.53","0.005","11.28","0.006","13.917","0.006","90","","112.75","0.03","90","","1234.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cu N O6 -","- C9 H5 Cu N O6 -","- C36 H20 Cu4 N4 O24 -","4","1","","Qu, Bo-Tao; Lai, Jian-Cheng; Liu, Sheng; Liu, Feng; Gao, Yan-Dong; You, Xiao-Zeng","Cu- and Ag-Based Metal‒Organic Frameworks with 4-Pyranone-2,6-dicarboxylic Acid: Syntheses, Crystal Structures, and Dielectric Properties","Crystal Growth & Design","2015","15","4","1707","","10.1021/cg501706t","","","0.71073","MoKα","","0.053","0.0455","","","0.1309","0.1383","","","","","","1.073","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512818","5.0687","0.0003","14.8844","0.0009","13.6533","0.0009","90","","94.173","0.001","90","","1027.34","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cu O9 -","- C7 H8 Cu O9 -","- C28 H32 Cu4 O36 -","4","1","","Qu, Bo-Tao; Lai, Jian-Cheng; Liu, Sheng; Liu, Feng; Gao, Yan-Dong; You, Xiao-Zeng","Cu- and Ag-Based Metal‒Organic Frameworks with 4-Pyranone-2,6-dicarboxylic Acid: Syntheses, Crystal Structures, and Dielectric Properties","Crystal Growth & Design","2015","15","4","1707","","10.1021/cg501706t","","","0.71073","MoKα","","0.0328","0.0249","","","0.0603","0.0637","","","","","","1.054","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512819","3.8359","0.0005","16.507","0.002","12.0057","0.0017","90","","92.883","0.002","90","","759.23","0.17","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H2 Ag2 O6 -","- C7 H2 Ag2 O6 -","- C28 H8 Ag8 O24 -","4","0.5","","Qu, Bo-Tao; Lai, Jian-Cheng; Liu, Sheng; Liu, Feng; Gao, Yan-Dong; You, Xiao-Zeng","Cu- and Ag-Based Metal‒Organic Frameworks with 4-Pyranone-2,6-dicarboxylic Acid: Syntheses, Crystal Structures, and Dielectric Properties","Crystal Growth & Design","2015","15","4","1707","","10.1021/cg501706t","","","0.71073","MoKα","","0.0263","0.0225","","","0.0531","0.0559","","","","","","1.121","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512820","10.0412","0.0005","14.4358","0.0007","11.1698","0.0006","90","","105.144","0.005","90","","1562.87","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridinium benzene-1,2,4,5-tetracarboxylate","","- C17 H14 N2 O6 S -","- C17 H14 N2 O6 S -","- C68 H56 N8 O24 S4 -","4","1","","Stevens, Joanna S.; Newton, Lauren K.; Jaye, Cherno; Muryn, Christopher A.; Fischer, Daniel A.; Schroeder, Sven L. M.","Proton Transfer, Hydrogen Bonding, and Disorder: Nitrogen Near-Edge X-ray Absorption Fine Structure and X-ray Photoelectron Spectroscopy of Bipyridine‒Acid Salts and Co-crystals","Crystal Growth & Design","2015","15","4","1776","","10.1021/cg5018278","","","0.71073","MoKα","","0.0738","0.0509","","","0.1096","0.1262","","","","","","1.043","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512821","5.5761","0.0006","6.9604","0.0009","11.7649","0.0013","73.422","0.011","81.543","0.009","74.39","0.011","420.27","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine 1,2,3,4-butanetetracarboxylic acid","","- C18 H18 N2 O8 -","- C18 H18 N2 O8 -","- C18 H18 N2 O8 -","1","0.5","","Stevens, Joanna S.; Newton, Lauren K.; Jaye, Cherno; Muryn, Christopher A.; Fischer, Daniel A.; Schroeder, Sven L. M.","Proton Transfer, Hydrogen Bonding, and Disorder: Nitrogen Near-Edge X-ray Absorption Fine Structure and X-ray Photoelectron Spectroscopy of Bipyridine‒Acid Salts and Co-crystals","Crystal Growth & Design","2015","15","4","1776","","10.1021/cg5018278","","","0.71073","MoKα","","0.0923","0.0595","","","0.1164","0.1409","","","","","","1.006","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512823","5.499","0.0004","9.3162","0.0009","21.4233","0.0013","90","","90","","90","","1097.51","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 Ag N3 O4 -","- C9 H8 Ag N3 O4 -","- C36 H32 Ag4 N12 O16 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.0588","0.0403","","","0.0777","0.0885","","","","","","1.134","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512824","8.4116","0.0004","11.5062","0.0004","29.4257","0.0015","90","","94.295","0.004","90","","2840","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Ag2 F6 N4 O9 S2 -","- C20 H18 Ag2 F6 N4 O9 S2 -","- C80 H72 Ag8 F24 N16 O36 S8 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.0994","0.0595","","","0.1334","0.1636","","","","","","1.018","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512825","10.9803","0.0018","15.495","0.003","12.646","0.002","90","","112.908","0.004","90","","1981.9","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Ag N5 O5 -","- C18 H16 Ag N5 O5 -","- C72 H64 Ag4 N20 O20 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.085","0.0386","","","0.0824","0.1032","","","","","","1.043","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512826","10.022","0.002","15.506","0.003","15.864","0.003","95.75","0.03","102.23","0.03","104.7","0.03","2299.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 Ag F3 N4 O5 S -","- C19 H16 Ag F3 N4 O5 S -","- C76 H64 Ag4 F12 N16 O20 S4 -","4","2","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.1311","0.0733","","","0.1912","0.2387","","","","","","1.04","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512827","11.6416","0.0005","15.9955","0.0004","12.1545","0.0004","90","","113.13","0.005","90","","2081.39","0.15","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H16 Ag B F4 N4 O2 -","- C18 H16 Ag B F4 N4 O2 -","- C72 H64 Ag4 B4 F16 N16 O8 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.0729","0.0441","","","0.1131","0.1277","","","","","","1.028","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512828","6.8566","0.0004","6.8566","0.0004","25.535","0.002","90","","90","","90","","1200.48","0.14","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","dibromoimidazole","4,5-dibromo-1H-imidazole","","- C3 H2 Br2 N2 -","- C3 H2 Br2 N2 -","- C24 H16 Br16 N16 -","8","1","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.2279","0.0766","","","0.1659","0.2121","","","","","","0.888","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512829","6.8867","0.0004","6.8867","0.0004","28.275","0.003","90","","90","","90","","1340.99","0.18","296","","296.1","0.7","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","diiodoimidazole","4,5-diiodo-1H-imidazole","","- C3 H2 I2 N2 -","- C3 H2 I2 N2 -","- C24 H16 I16 N16 -","8","1","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.2999","0.0803","","","0.1297","0.1923","","","","","","0.984","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512830","9.9264","0.0008","16.0761","0.0014","3.8161","0.0004","90","","90","","90","","608.96","0.1","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","trichloroimidazole","2,4,5-trichloro-1H-imidazole","","- C3 H Cl3 N2 -","- C3 H Cl3 N2 -","- C12 H4 Cl12 N8 -","4","0.5","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.0393","0.0276","","","0.0495","0.0514","","","","","","1.067","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512831","10.1305","0.0005","16.7094","0.001","4.0483","0.0002","90","","90","","90","","685.27","0.06","296","0.1","296","0.1","","","","","","","","4","A m a 2","A 2 -2a","40","tribromoimidazole","2,4,5-tribromo-1H-imidazole","","- C3 H Br3 N2 -","- C3 H Br3 N2 -","- C12 H4 Br12 N8 -","4","0.5","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.0825","0.0401","","","0.0417","0.047","","","","","","1.001","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512832","9.4587","0.0004","22.0806","0.0007","14.0805","0.0005","90","","108.219","0.004","90","","2793.34","0.19","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","triiodoimidazole","2,4,5-triiodo-1H-imidazole","","- C3 H I3 N2 -","- C3 H I3 N2 -","- C36 H12 I36 N24 -","12","3","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.2209","0.071","","","0.1406","0.1983","","","","","","0.983","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512833","4.505","0.0002","19.0373","0.0007","14.2402","0.0008","90","","100.28","0.005","90","","1201.68","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-iodoimidazole:2,4-diiodoimidazole cocrystal","2-iodo-1H-imidazole:2,4-diiodo-1H-imidazole cocrystal","","- C6 H5 I3 N4 -","- C6 H5 I3 N4 -","- C24 H20 I12 N16 -","4","1","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.094","0.0553","","","0.1395","0.1508","","","","","","1.095","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512834","6.8353","0.0016","32.355","0.004","16.896","0.0019","90","","90","","90","","3736.7","1.1","293","","293","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C52 H30 Fe3 N6 O10 -","- C52 H30 Fe3 N6 O10 -","- C104 H60 Fe6 N12 O20 -","2","0.125","","Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas","Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity","Crystal Growth & Design","2015","15","4","1819","","10.1021/cg501855k","","","0.71069","MoKα","","0.1727","0.0942","","0.0783","0.0711","0.0698","","","","","","1.0607","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512835","16.677","0.0007","16.677","0.0007","16.5322","0.0013","90","","90","","90","","4598","0.5","293","","293","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C56 H32 Fe3 N8 O8 -","- C56 H32 Fe3 N8 O8 -","- C112 H64 Fe6 N16 O16 -","2","0.0625","","Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas","Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity","Crystal Growth & Design","2015","15","4","1819","","10.1021/cg501855k","","","0.71073","MoKα","","0.1386","0.102","","0.1591","0.1088","0.0997","","","","","","0.9257","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512836","16.6489","0.0009","16.6489","0.0009","25.194","0.003","90","","90","","90","","6983.4","1","293","","293","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C34 H20 Fe1.5 N4 O4 -","- C34 H20 Fe1.5 N4 O4 -","- C136 H80 Fe6 N16 O16 -","4","0.125","","Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas","Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity","Crystal Growth & Design","2015","15","4","1819","","10.1021/cg501855k","","","0.71073","MoKα","","0.1236","0.0851","","0.1125","0.0937","0.0932","","","","","","0.9906","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512837","7.4416","0.0005","24.8056","0.0016","30.314","0.002","90","","91.637","0.006","90","","5593.5","0.6","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H34 Cs Fe2 N5 O11 -","- C51 H34 Cs Fe2 N5 O11 -","- C204 H136 Cs4 Fe8 N20 O44 -","4","0.5","","Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas","Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity","Crystal Growth & Design","2015","15","4","1819","","10.1021/cg501855k","","","0.71069","MoKα","","0.1236","0.101","","0.1218","0.1042","0.1","","","","","","1.0806","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512838","3.9543","0.0004","13.6225","0.0017","18.749","0.002","98.438","0.01","93.014","0.009","97.68","0.009","987.38","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","tetramethyl 4,4'-(1,4-phenylene)bis(pyridine-2,6-dicarboxylate)","","- C9 H8 Br N O4 -","- C9 H8 Br N O4 -","- C36 H32 Br4 N4 O16 -","4","2","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.041","0.0325","","","0.0824","0.0871","","","","","","1.08","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512839","15.3907","0.0006","4.33847","0.00015","19.538","0.0008","90","","110.046","0.004","90","","1225.56","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diethyl 4-bromopyridine-2,6-dicarboxylate","","- C11 H12 Br N O4 -","- C11 H12 Br N O4 -","- C44 H48 Br4 N4 O16 -","4","1","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.0229","0.0214","","","0.0568","0.0582","","","","","","1.052","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512840","11.4027","0.0004","4.51826","0.00015","27.8897","0.0011","90","","99.456","0.004","90","","1417.36","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Br N O4 -","- C13 H16 Br N O4 -","- C52 H64 Br4 N4 O16 -","4","1","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.0376","0.0307","","","0.0765","0.0822","","","","","","1.05","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512841","6.658","0.0004","10.5799","0.0011","13.4275","0.0004","87.325","0.005","81.672","0.004","75.385","0.007","905.54","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O4 -","- C21 H16 Br1.002 N O4 -","- C42 H32 Br2.004 N2 O8 -","2","1","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.54184","CuKα","","0.098","0.0909","","","0.2754","0.2798","","","","","","1.071","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512842","6.7914","0.0004","10.0137","0.0007","10.9532","0.001","113.673","0.007","92.345","0.006","107.5","0.006","639.4","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","?tetraethyl 4,4'-(1,4-phenylene)bis(pyridine-2,6-dicarboxylate)","","- C28 H28 N2 O8 -","- C28 H28 N2 O8 -","- C28 H28 N2 O8 -","1","0.5","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.0392","0.0352","","","0.0921","0.0962","","","","","","1.04","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512843","9.6784","0.0006","10.093","0.0008","19.071","0.0019","88.546","0.007","85.079","0.007","82.955","0.006","1841.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 N2 O8 -","- C48 H36 N2 O8 -","- C96 H72 N4 O16 -","2","1","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.118","0.0604","","","0.107","0.132","","","","","","0.99","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512844","7.9254","0.0001","10.7452","0.0001","11.3467","0.0002","115.145","0.001","98.272","0.001","92.346","0.001","859.98","0.02","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N4 O13 Pb2 -","- C36 H28 N4 O13 Pb2 -","- C36 H28 N4 O13 Pb2 -","1","0.5","","Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios","pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations","Crystal Growth & Design","2015","15","4","1666","","10.1021/cg501628d","","","1.54178","CuKα","","0.0429","0.0418","","","0.1","0.101","","","","","","1.07","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512845","19.713","0.0002","8.151","0.0001","9.7928","0.0001","90","","92.525","0.001","90","","1571.99","0.03","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O12 Pb3 -","- C12 H10 O12 Pb3 -","- C48 H40 O48 Pb12 -","4","0.5","","Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios","pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations","Crystal Growth & Design","2015","15","4","1666","","10.1021/cg501628d","","","1.54178","CuKα","","0.0549","0.0526","","","0.1231","0.1259","","","","","","1.055","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512846","9.955","0.01","21.03","0.004","7.925","0.009","90","","119.47","0.02","90","","1444","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4 Pb -","- C16 H8 N2 O4 Pb -","- C64 H32 N8 O16 Pb4 -","4","0.5","","Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios","pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations","Crystal Growth & Design","2015","15","4","1666","","10.1021/cg501628d","","","0.71073","MoKα","","0.0304","0.0286","","","0.0719","0.0732","","","","","","1.093","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512847","10.303","0.0002","25.2045","0.0004","10.3907","0.0001","90","","92.932","0.001","90","","2694.75","0.07","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H56 N6 O19 Pb3 -","- C51 H56 N6 O19 Pb3 -","- C102 H112 N12 O38 Pb6 -","2","1","","Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios","pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations","Crystal Growth & Design","2015","15","4","1666","","10.1021/cg501628d","","","0.71073","MoKα","","0.0341","0.0329","","","0.0808","0.0816","","","","","","1.035","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512848","12.2113","0.0006","8.9422","0.0005","19.5495","0.0011","90","","90","","90","","2134.7","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0665","0.04","","","0.0715","0.0771","","","","","","1.039","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512849","13.9955","0.0008","5.0754","0.0003","15.783","0.0009","90","","110.209","0.004","90","","1052.09","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C44 H40 N8 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0822","0.0362","","","0.0538","0.0588","","","","","","1.019","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512850","4.1718","0.0002","10.9716","0.0004","14.1852","0.0005","88.491","0.003","86.54","0.003","81.432","0.002","640.76","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C30 H24 N4 O2 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0549","0.038","","","0.0678","0.073","","","","","","1.035","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512851","5.7381","0.0003","16.008","0.0007","28.0274","0.0013","90","","90","","90","","2574.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C120 H96 N16 O8 S8 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0595","0.046","","","0.1018","0.1112","","","","","","1.093","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512853","23.3983","0.0004","10.0341","0.0002","25.8291","0.0018","90","","108.545","0.008","90","","5749.3","0.5","85","2","85","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C272 H304 N16 O48 -","16","2","","Pfund, Laura Y.; Chamberlin, Brianna L.; Matzger, Adam J.","The Bioenhancer Piperine is at Least Trimorphic","Crystal Growth & Design","2015","15","5","2047","","10.1021/acs.cgd.5b00278","","","1.54178","CuKα","","0.0599","0.054","","","0.1496","0.1545","","","","","","1.12","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512858","35.72","0.02","9.681","0.007","10.77","0.007","90","","94.95","0.05","90","","3710","4","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-bis(2-methyl-5-(4-hexyloxyphenyl)-3-thienyl)perfluorocyclopentene (beta-form)","","- C39 H42 F6 O2 S2 -","- C39 H42 F6 O2 S2 -","- C156 H168 F24 O8 S8 -","4","0.5","","Iwaihara, Chika; Kitagawa, Daichi; Kobatake, Seiya","Polymorphic Crystallization and Thermodynamic Phase Transition between the Polymorphs of a Photochromic Diarylethene","Crystal Growth & Design","2015","15","4","2017","","10.1021/acs.cgd.5b00196","","","0.71075","MoKα","","0.1281","0.0524","","","0.1328","0.1589","","","","","","0.842","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512859","39.469","0.005","12.6053","0.0017","11.4425","0.0015","90","","90","","90","","5692.9","1.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H31 Co N3 O8 S2 -","- C27 H18 Co N2 O5 S2 -","- C216 H144 Co8 N16 O40 S16 -","8","1","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.0988","0.076","","","0.1575","0.1657","","","","","","1.114","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512860","19.7657","0.0008","19.7657","0.0008","11.8402","0.0009","90","","90","","120","","4006","0.4","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C25 H25 Co N2 O8 S2 -","- C22 H18 Co N O7 S2 -","- C132 H108 Co6 N6 O42 S12 -","6","1","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.0477","0.0441","","","0.1195","0.122","","","","","","1.059","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512861","9.005","0.003","12.573","0.004","19.675","0.007","82.313","0.005","79.259","0.006","86.749","0.005","2167.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H39 Cd N2 O13 S4 -","- C40 H26 Cd N O9 S4 -","- C80 H52 Cd2 N2 O18 S8 -","2","1","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.089","0.0588","","","0.1539","0.165","","","","","","0.903","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512862","10.4489","0.0009","21.5552","0.0019","38.344","0.003","90","","90","","90","","8636.1","1.3","296","2","296","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C39 H35 Ba N O12 S4 -","- C34 H22 Ba O10 S4 -","- C272 H176 Ba8 O80 S32 -","8","0.5","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.1043","0.0952","","","0.2258","0.2297","","","","","","1.191","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512863","18.7686","0.0006","15.2482","0.0005","6.90544","0.00025","90","","89.7367","0.0022","90","","1976.23","0.12","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H22 Cl8 O10 -","- C39 H22 Cl8 O10 -","- C78 H44 Cl16 O20 -","2","1","","Shivakumar, Kilingaru I.; Yan, Yuncheng; Hughes, Colan E.; Apperley, David C.; Harris, Kenneth D. M.; Sanjayan, Gangadhar J.","Exploiting Powder X-ray Diffraction to Establish the Solvent-Assisted Solid-State Supramolecular Assembly of Pillar[5]quinone","Crystal Growth & Design","2015","15","4","1583","","10.1021/acs.cgd.5b00277","powder diffraction","x-ray","1.5406","","","","","","","","","0.19725","","1.64","","","","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512864","19.281","0.0003","19.281","0.0003","25.7179","0.0009","90","","90","","120","","8279.9","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H10 Cd N8 O4 -","- C18 H10 Cd N8 O4 -","- C162 H90 Cd9 N72 O36 -","9","0.5","","He, Hongming; Song, Yang; Sun, Fuxing; Zhao, Nian; Zhu, Guangshan","Sorption Properties and Nitroaromatic Explosives Sensing Based on Two Isostructural Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","4","2033","","10.1021/acs.cgd.5b00229","","","0.71073","MoKα","","0.079","0.0699","","","0.231","0.245","","","","","","1.144","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512865","19.2692","0.0003","19.2692","0.0003","24.45","0.0007","90","","90","","120","","7862.1","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H10 Cu N8 O4 -","- C18 H10 Cu N8 O4 -","- C162 H90 Cu9 N72 O36 -","9","0.5","","He, Hongming; Song, Yang; Sun, Fuxing; Zhao, Nian; Zhu, Guangshan","Sorption Properties and Nitroaromatic Explosives Sensing Based on Two Isostructural Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","4","2033","","10.1021/acs.cgd.5b00229","","","0.71073","MoKα","","0.0992","0.091","","","0.2763","0.2915","","","","","","1.286","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512866","7.8178","0.0007","14.4719","0.0012","18.6562","0.0016","67.602","0.006","78.49","0.007","82.794","0.007","1909.4","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N4 S Si2 -","- C40 H48 N4 S Si2 -","- C80 H96 N8 S2 Si4 -","2","1","","An, Cunbin; Zhou, Shoufa; Baumgarten, Martin","Condensed Derivatives of Thiadiazoloquinoxaline as Strong Acceptors","Crystal Growth & Design","2015","15","4","1934","","10.1021/acs.cgd.5b00105","","","0.71073","MoKα","","0.1478","0.0535","","","0.1114","0.1453","","","","","","0.878","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512867","10.3886","0.0008","10.3886","0.0008","23.2837","0.0018","90","","90","","120","","2176.2","0.3","100","","100","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C96 H120 O18 -","6","1","","Commins, Patrick; Natarajan, Arunkumar; Tsai, Chao-Kuan; Khan, Saeed I.; Nath, Naba K.; Naumov, Panče; Garcia-Garibay, Miguel A.","Structure‒Reactivity Correlations and Mechanistic Understanding of the Photorearrangement and Photosalient Effect of α-Santonin and Its Derivatives in Solutions, Crystals, and Nanocrystalline Suspensions","Crystal Growth & Design","2015","15","4","1983","","10.1021/acs.cgd.5b00135","","","0.71073","MoKα","","0.057","0.0386","","","0.0851","0.0918","","","","","","1.018","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512868","7.7968","0.0009","11.8457","0.0013","15.6772","0.0017","90","","90","","90","","1447.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","","Commins, Patrick; Natarajan, Arunkumar; Tsai, Chao-Kuan; Khan, Saeed I.; Nath, Naba K.; Naumov, Panče; Garcia-Garibay, Miguel A.","Structure‒Reactivity Correlations and Mechanistic Understanding of the Photorearrangement and Photosalient Effect of α-Santonin and Its Derivatives in Solutions, Crystals, and Nanocrystalline Suspensions","Crystal Growth & Design","2015","15","4","1983","","10.1021/acs.cgd.5b00135","","","0.71073","MoKα","","0.0325","0.0303","","","0.0785","0.08","","","","","","1.032","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512869","11.545","0.003","14.082","0.004","23.811","0.006","90","","90","","90","","3871.1","1.8","100","2","100","2","","","","","","","synthetic","3","P b c n","-P 2n 2ab","60","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl","","- C48 H50 O4 -","- C48 H50 O4 -","- C192 H200 O16 -","4","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.0945","0.0618","","","0.155","0.1886","","","","","","1.09","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512870","11.118","0.005","13.77","0.006","14.464","0.006","92.828","0.009","96.746","0.008","107.279","0.008","2091.5","1.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-cyclohexenone","","- C102 H108 O9 -","- C102 H108 O9 -","- C102 H108 O9 -","1","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.1706","0.1049","","","0.2617","0.3711","","","","","","1.115","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512871","24.471","0.012","15.774","0.012","12.252","0.007","90","","92.565","0.016","90","","4725","5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-decalin","","- C58 H68 O4 -","- C58 H68 O4 -","- C232 H272 O16 -","4","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.1733","0.0921","","","0.2228","0.2914","","","","","","1.022","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512872","29.044","0.007","11.731","0.002","24.658","0.005","90","","92.399","0.005","90","","8394","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB-methoxybenzaldehyde","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-methoxybenzaldehyde","","- C52 H54 O5 -","- C52 H54 O5 -","- C416 H432 O40 -","8","1","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.0964","0.0652","","","0.1732","0.2367","","","","","","1.101","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512873","11.7393","0.0006","13.7204","0.0007","14.1348","0.0007","96.802","0.001","98.737","0.001","108.618","0.001","2098.35","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-dichlorobenzene","","- C51 H52 Cl O4 -","- C51 H52 Cl O4 -","- C102 H104 Cl2 O8 -","2","1","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.0991","0.053","","","0.1038","0.1201","","","","","","1.01","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512874","11.554","0.006","13.665","0.007","14.373","0.008","91.055","0.011","99.128","0.01","107.762","0.012","2128","2","100","","100","","","","","","","","","3","P -1","-P 1","2","","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-hydroxybenzaldehyde","","- C103 H106 O10 -","- C103 H106 O10 -","- C103 H106 O10 -","1","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.2461","0.1162","","","0.2725","0.3955","","","","","","0.966","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512875","28.348","0.006","11.778","0.002","30.986","0.005","90","","101.909","0.006","90","","10123","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-cyclododecene","","- C60 H74 O4 -","- C60 H74 O4 -","- C480 H592 O32 -","8","1","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.1959","0.1189","","","0.3251","0.3945","","","","","","1.201","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512876","26.616","0.003","14.999","0.0011","11.5435","0.0009","90","","102.608","0.002","90","","4497.2","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-cyclooctane","","- C56 H66 O4 -","- C56 H66 O4 -","- C224 H264 O16 -","4","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.1246","0.0802","","","0.2117","0.2769","","","","","","1.08","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512877","30.156","0.013","12.688","0.005","25.591","0.012","90","","115.696","0.018","90","","8823","7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-cyclohexanone","","- C54 H60 O5 -","- C54 H60 O5 -","- C432 H480 O40 -","8","1","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.2273","0.0913","","","0.2029","0.2896","","","","","","0.936","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512878","28.915","0.012","11.849","0.004","24.852","0.01","90","","91.715","0.014","90","","8511","6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB-transcinnamaldehyde","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-transcinnamaldehyde","","- C105 H106 O9 -","- C105 H106 O9 -","- C420 H424 O36 -","4","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.1905","0.1039","","","0.2649","0.3384","","","","","","1.034","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512879","4.6421","0.0012","9.923","0.003","14.773","0.004","106.135","0.004","93.894","0.004","91.467","0.004","651.5","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N8 O12 -","- C24 H16 N8 O12 -","- C24 H16 N8 O12 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0764","0.046","","","0.115","0.1264","","","","","","0.936","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512880","18.516","0.003","7.9896","0.0011","16.502","0.002","90","","118.946","0.002","90","","2136.3","0.5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 Cd2 N0 O14 -","- C16 H16 Cd2 O14 -","- C64 H64 Cd8 O56 -","4","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71073","MoKα","","0.0406","0.0388","","","0.1255","0.1274","","","","","","1.166","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512881","10.7643","0.0004","11.1903","0.0005","11.8805","0.0006","101.006","0.004","110.549","0.004","99.779","0.004","1270.95","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30.8 Cu5 O26.4 -","- C32 H30.8 Cu5 O26.4 -","- C32 H30.8 Cu5 O26.4 -","1","0.5","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71","MoKα","","0.0454","0.0391","","","0.1076","0.1119","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512882","21.1595","0.0006","10.0443","0.0002","16.9449","0.0004","90","","100.237","0.002","90","","3544.01","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cd2 N4 O14 -","- C36 H32 Cd2 N4 O14 -","- C144 H128 Cd8 N16 O56 -","4","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71","MoKα","","0.0476","0.0375","","","0.0851","0.093","","","","","","1.057","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512883","7.6683","0.0005","41.941","0.003","7.8187","0.0006","90","","104.516","0.008","90","","2434.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O12 Zn2 -","- C26 H20 N2 O12 Zn2 -","- C104 H80 N8 O48 Zn8 -","4","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71","MoKα","","0.0577","0.0431","","","0.092","0.1005","","","","","","1.047","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512884","10.0879","0.0007","11.3386","0.0008","28.2595","0.0016","89.39","0.005","81.837","0.005","87.109","0.006","3195.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H104 N12 Ni7 O52 -","- C124 H104 N12 Ni7 O52 -","- C124 H104 N12 Ni7 O52 -","1","0.5","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71073","MoKα","","0.078","0.0604","","","0.1461","0.1551","","","","","","1.075","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512885","37.359","0.002","7.7625","0.0002","22.3426","0.0007","90","","91.094","0.004","90","","6478.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N3 Ni1.5 O14 -","- C31 H29 N3 Ni1.5 O14 -","- C248 H232 N24 Ni12 O112 -","8","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71","MoKα","","0.0511","0.0412","","","0.0975","0.1045","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512886","8.7712","0.0005","22.9092","0.0017","32.3091","0.0014","76.589","0.005","89.49","0.004","82.229","0.006","6255.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C240 H232 N48 Ni9 O90 -","- C240 H232 N48 Ni9 O90 -","- C240 H232 N48 Ni9 O90 -","1","0.5","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71073","MoKα","","0.142","0.0723","","","0.1254","0.162","","","","","","1.029","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512887","10.9158","0.001","13.3254","0.0014","13.534","0.0017","118.197","0.012","103.028","0.009","98.458","0.008","1614.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N6 O11 Zn2 -","- C27 H31 N6 O11 Zn2 -","- C54 H62 N12 O22 Zn4 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.0783","0.051","","","0.1486","0.1807","","","","","","0.866","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512888","12.1368","0.0004","14.4335","0.0006","22.7972","0.0007","90","","101.6","0.003","90","","3912","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N8 O11 Zn2 -","- C36 H32 N8 O11 Zn2 -","- C144 H128 N32 O44 Zn8 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.0676","0.0456","","","0.1142","0.1266","","","","","","1.035","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512889","12.886","0.0006","16.4783","0.0005","18.2541","0.0007","80.202","0.004","86.039","0.007","81.673","0.006","3775.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H64 N18 O21 Zn3 -","- C64 H64 N18 O21 Zn3 -","- C128 H128 N36 O42 Zn6 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.086","0.0779","","","0.2385","0.2519","","","","","","1.035","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512890","10.3002","0.0006","14.1298","0.0011","14.8628","0.0013","90","","101.989","0.006","90","","2115.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N4 O6 Zn -","- C19 H24 N4 O6 Zn -","- C76 H96 N16 O24 Zn4 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.1075","0.0512","","","0.1259","0.1854","","","","","","1.045","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512891","10.0653","0.0005","11.3373","0.0009","11.7274","0.0007","117.625","0.007","92.949","0.005","102.78","0.006","1137.8","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N4 O6 Zn -","- C21 H28 N4 O6 Zn -","- C42 H56 N8 O12 Zn2 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.0544","0.0439","","","0.1104","0.1204","","","","","","1.032","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512892","7.9583","0.0013","15.736","0.0016","20.212","0.002","90","","94.999","0.012","90","","2521.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O7 Zn -","- C22 H26 N4 O7 Zn -","- C88 H104 N16 O28 Zn4 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.1137","0.0767","","","0.1963","0.2264","","","","","","1.039","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512893","7.037","0.009","7.037","0.009","5.483","0.007","90","","90","","120","","235.1","0.5","295","2","295","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0282","0.0256","","","0.0579","0.0591","","","","","","1.104","","","","has coordinates","138058","2020-10-21","18:00:00",""
"4512895","46.33","0.007","10.727","0.0015","23.714","0.003","90","","95.872","0.003","90","","11724","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H42 Co2 N4 O16 -","- C53 H42 Co2 N4 O16 -","- C424 H336 Co16 N32 O128 -","8","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0954","0.0466","","","0.1027","0.1086","","","","","","0.801","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512896","45.94","0.03","11.228","0.007","24.489","0.016","90","","98.809","0.012","90","","12483","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H112 Cd4 N11 O35 -","- C115 H98 Cd4 N11 O35 -","- C460 H392 Cd16 N44 O140 -","4","0.5","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0793","0.0659","","","0.1994","0.2104","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512897","46.352","0.013","10.619","0.003","23.508","0.007","90","","95.291","0.005","90","","11522","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H44 N4 Ni2 O16 -","- C53 H44 N4 Ni2 O16 -","- C424 H352 N32 Ni16 O128 -","8","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0894","0.0512","","","0.1025","0.1095","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512898","16.6278","0.0019","13.9706","0.0016","29.131","0.003","90","","94.532","0.002","90","","6746","1.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H40 Co2 F12 N4 O12 -","- C59 H40 Co2 F12 N4 O12 -","- C236 H160 Co8 F48 N16 O48 -","4","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.1004","0.0687","","","0.1896","0.2039","","","","","","0.953","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512899","21.6968","0.0019","18.675","0.0017","35.58","0.003","90","","99.472","0.002","90","","14220","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H50 Cd2 N6 O12 -","- C57 H50 Cd2 N6 O12 -","- C456 H400 Cd16 N48 O96 -","8","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0925","0.0582","","","0.1344","0.1441","","","","","","0.928","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512900","13.59","0.003","16.408","0.003","17.371","0.004","65.056","0.003","88.239","0.004","68.768","0.004","3239.5","1.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H43 Co2 N4 O18 S2 -","- C53 H43 Co2 N4 O18 S2 -","- C106 H86 Co4 N8 O36 S4 -","2","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.1202","0.0998","","","0.2084","0.2189","","","","","","1.04","","","","has coordinates","138065","2020-10-21","18:00:00",""
"4512901","17.033","0.004","9.182","0.002","23.177","0.004","90","","131.684","0.012","90","","2707.1","1.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C53 H40 Co2 N6 O12 -","- C53 H40 Co2 N6 O12 -","- C106 H80 Co4 N12 O24 -","2","0.5","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0495","0.0385","","","0.1019","0.108","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512902","7.976","0.008","12.006","0.014","12.284","0.01","112.01","0.02","90.05","0.03","100.58","0.05","1068.9","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 La2 O14 -","- C12 H16 La2 O14 -","- C24 H32 La4 O28 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","x-ray","0.71073","MoKα","","0.079","0.0507","","","0.1343","0.1555","","","","","","0.944","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512903","10.3536","0.0013","14.9452","0.0014","16.4976","0.0019","90","","90","","90","","2552.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Clotrimazole-p-Coumaric acid","Clotrimazole-p-Coumaric acid","","- C31 H25 Cl N2 O3 -","- C31 H25 Cl N2 O3 -","- C124 H100 Cl4 N8 O12 -","4","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.1953","0.0749","","","0.1005","0.1257","","","","","","0.829","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4512904","6.304","0.004","6.663","0.004","10.724","0.006","90","","98.527","0.01","90","","445.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cu Dy2 O12 S2 -","- Cu Dy2 O12 S2 -","- Cu2 Dy4 O24 S4 -","2","0.5","","Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen","Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network","Crystal Growth & Design","2015","15","6","2742","","10.1021/acs.cgd.5b00057","","","0.71073","MoKα","","0.0697","0.0495","","","0.1764","0.2584","","","","","","1.2","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512905","12.4943","0.0005","9.844","0.0004","26.5445","0.0013","90","","90","","90","","3264.8","0.2","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H22 Fe N12 S2 -","- C38 H22 Fe N12 S2 -","- C152 H88 Fe4 N48 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song","Structural Distortion Controlled Spin-Crossover Behavior","Crystal Growth & Design","2015","15","6","2565","","10.1021/acs.cgd.5b00175","","","0.71073","MoKα","","0.0935","0.0584","","","0.1272","0.1456","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512906","12.812","0.0013","9.9314","0.0013","27.185","0.003","90","","90","","90","","3459","0.7","420","1","420","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H22 Fe N12 S2 -","- C38 H22 Fe N12 S2 -","- C152 H88 Fe4 N48 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song","Structural Distortion Controlled Spin-Crossover Behavior","Crystal Growth & Design","2015","15","6","2565","","10.1021/acs.cgd.5b00175","","","0.71073","MoKα","","0.0865","0.05","","","0.1278","0.1527","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512907","13.5295","0.0006","9.0467","0.0003","26.8082","0.001","90","","90","","90","","3281.3","0.2","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H22 Fe N12 S2 -","- C38 H22 Fe N12 S2 -","- C152 H88 Fe4 N48 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song","Structural Distortion Controlled Spin-Crossover Behavior","Crystal Growth & Design","2015","15","6","2565","","10.1021/acs.cgd.5b00175","","","0.71073","MoKα","","0.0707","0.0468","","","0.11","0.1242","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512908","22.197","0.002","16.1128","0.0014","15.4952","0.0014","90","","119.595","0.001","90","","4818.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H19 La N4 O11 S2 -","- C21.5 H19 La N4 O11 S2 -","- C172 H152 La8 N32 O88 S16 -","8","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0354","0.0282","","","0.0658","0.0694","","","","","","1.064","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512909","27.3816","0.0007","27.3816","0.0007","19.3573","0.0006","90","","90","","90","","14513.2","0.7","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C264 H348 Ag20 N0 O8 -","- C264 H348 Ag20 O8 -","- C528 H696 Ag40 O16 -","2","0.25","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.1113","0.0541","","","0.1173","0.1368","","","","","","0.987","","","","has coordinates","138071","2020-10-21","18:00:00",""
"4512910","16.224","0.005","12.979","0.004","16.226","0.005","90","","100.056","0.01","90","","3364.2","1.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cd2 N6 O9 -","- C26 H26 Cd2 N6 O9 -","- C104 H104 Cd8 N24 O36 -","4","1","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.1352","0.0801","","","0.1946","0.2144","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512911","10.8417","0.0003","16.2903","0.0004","17.9497","0.0005","66.7233","0.0011","87.0069","0.001","85.0074","0.0016","2900.55","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","benperidol polymorph II","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one polymorph II","","- C22 H24 F N3 O2 -","- C22 H24 F N3 O2 -","- C132 H144 F6 N18 O12 -","6","3","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.1701","0.0765","","","0.1283","0.1616","","","","","","1.013","","","","has coordinates","138074","2020-10-21","18:00:00",""
"4512912","5.6964","0.0001","14.209","0.0002","15.9716","0.0002","81.479","0.001","82.263","0.001","79.158","0.001","1248.05","0.03","105","2","105","2","","","","","","","see text","5","P -1","-P 1","2","sulphamethizole","","","- C18 H22 N8 O8 S5 -","- C18 H22 N8 O8 S5 -","- C36 H44 N16 O16 S10 -","2","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.031","0.023","","","","0.024","","","","","","1.026","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4512913","23.2598","0.0014","19.1365","0.0008","11.8928","0.0007","90","","90","","90","","5293.6","0.5","291.45","0.1","291.45","0.1","","","","","","","","5","P b m a","-P 2a 2ab","57","","","","- C40 H46 N O39 Tb3 -","- C40 H46 N O39 Tb3 -","- C160 H184 N4 O156 Tb12 -","4","0.5","","Wang, Wen; Yang, Jie; Wang, Rongming; Zhang, Liangliang; Yu, Jianfeng; Sun, Daofeng","Luminescent Terbium-Organic Framework Exhibiting Selective Sensing of Nitroaromatic Compounds (NACs)","Crystal Growth & Design","2015","15","6","2589","","10.1021/acs.cgd.5b00381","","x-ray","0.71073","MoKα","","0.0681","0.0572","","","0.1537","0.1641","","","","","","1.074","","","","has coordinates","138044","2020-10-21","18:00:00",""
"4512914","7.2813","0.0015","16.42","0.003","13.591","0.003","90","","90","","90","","1624.9","0.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O15 Si6 Th -","- Cs2 O15 Si6 Th -","- Cs8 O60 Si24 Th4 -","4","0.5","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.047","0.0391","","","0.0814","0.0867","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512915","7.3288","0.0015","12.235","0.002","17.51","0.004","98.97","0.03","90.97","0.03","106.44","0.03","1484.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- O30 Rb4 Si12 Th2 -","- O30 Rb4 Si12 Th2 -","- O60 Rb8 Si24 Th4 -","2","1","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.0614","0.0322","","","0.059","0.0701","","","","","","0.75","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512916","11.794","0.002","8.5762","0.0017","22.099","0.004","90","","90","","90","","2235.3","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F2 K2 O10 Si4 Th -","- F2 K2 O10 Si4 Th -","- F16 K16 O80 Si32 Th8 -","8","1","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.0488","0.0382","","","0.0893","0.0954","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512917","7.4738","0.0011","7.4738","0.0011","10.674","0.002","90","","90","","120","","516.35","0.14","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs2 O9 Si3 Th -","- Cs2 O9 Si3 Th -","- Cs4 O18 Si6 Th2 -","2","0.166667","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.0294","0.0251","","","0.0563","0.059","","","","","","1.183","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512918","7.3064","0.001","7.3064","0.001","10.604","0.002","90","","90","","120","","490.24","0.13","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- O9 Rb2 Si3 Th -","- O9 Rb2 Si3 Th -","- O18 Rb4 Si6 Th2 -","2","0.166667","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.0338","0.0305","","","0.0649","0.0664","","","","","","1.183","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512919","3.7276","0.0007","7.8853","0.0016","14.104","0.003","84.92","0.03","82.68","0.03","81.8","0.03","405.93","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cl4 Mn N2 O4 -","- C10 H14 B2 Cl4 Mn N2 O4 -","- C10 H14 B2 Cl4 Mn N2 O4 -","1","0.5","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0651","0.0583","","","0.1508","0.1555","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512920","3.803","0.0008","7.8592","0.0016","14.179","0.003","84.77","0.03","82.38","0.03","81.11","0.03","413.92","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cd Cl4 N2 O4 -","- C10 H14 B2 Cd Cl4 N2 O4 -","- C10 H14 B2 Cd Cl4 N2 O4 -","1","0.5","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0245","0.0224","","","0.0604","0.079","","","","","","1.256","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512921","9.0727","0.0018","9.5234","0.0019","10.835","0.002","79.53","0.03","65.87","0.03","71.62","0.03","809.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cl4 Cu N2 O4 -","- C10 H14 B2 Cl4 Cu N2 O4 -","- C20 H28 B4 Cl8 Cu2 N4 O8 -","2","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0765","0.0527","","","0.1165","0.1251","","","","","","0.906","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512922","20.949","0.004","7.4938","0.0015","14.998","0.003","90","","133.85","0.03","90","","1698","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C10 H14 B2 Cl4 N2 O4 Pd -","- C10 H14 B2 Cl4 N2 O4 Pd -","- C40 H56 B8 Cl16 N8 O16 Pd4 -","4","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0227","0.022","","","0.0497","0.05","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512923","6.9892","0.0015","9.0375","0.0018","14.408","0.003","95.14","0.02","103.63","0.02","107.873","0.013","828.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cd Cl4 N2 O4 -","- C10 H14 B2 Cd Cl4 N2 O4 -","- C20 H28 B4 Cd2 Cl8 N4 O8 -","2","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0276","0.025","","","0.0578","0.0592","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512924","13.863","0.003","3.7921","0.0008","20.094","0.004","90","","97.46","0.03","90","","1047.4","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C5 H9 B Cl3 Cu N O3 -","- C5 H9 B Cl3 Cu N O3 -","- C20 H36 B4 Cl12 Cu4 N4 O12 -","4","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0303","0.0301","","","0.0769","0.077","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512925","6.926","0.0014","7.9568","0.0016","8.297","0.0017","70.25","0.03","79.53","0.03","83.22","0.03","422.38","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cl4 N2 O4 Pd -","- C10 H14 B2 Cl4 N2 O4 Pd -","- C10 H14 B2 Cl4 N2 O4 Pd -","1","0.5","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0273","0.0256","","","0.0681","0.0689","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512926","3.6697","0.0002","12.7871","0.0005","7.1036","0.0003","90","","93.258","0.005","90","","332.8","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H4 Cu2 N4 S -","- C3 H4 Cu2 N4 S -","- C6 H8 Cu4 N8 S2 -","2","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.0846","0.058","","","0.1345","0.1527","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512927","9.0102","0.0002","10.8418","0.0003","19.2997","0.0005","90","","90","","90","","1885.33","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cu2 N6 S2 -","- C16 H16 Cu2 N6 S2 -","- C64 H64 Cu8 N24 S8 -","4","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.0405","0.0293","","","0.0644","0.07","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512928","17.1154","0.0016","11.0711","0.0009","16.9068","0.0019","90","","119.192","0.013","90","","2796.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cu N3 S -","- C14 H12 Cu N3 S -","- C112 H96 Cu8 N24 S8 -","8","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.1706","0.0611","","","0.0817","0.1112","","","","","","0.965","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512929","9.1672","0.0003","11.6124","0.0005","11.9925","0.0004","93.991","0.003","107.265","0.003","108.568","0.004","1136.51","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 Cu3 F4 N7 S2 -","- C17 H12 Cu3 F4 N7 S2 -","- C34 H24 Cu6 F8 N14 S4 -","2","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.1043","0.0453","","","0.1044","0.1188","","","","","","0.877","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512931","26.1417","0.0006","9.2708","0.0002","25.2635","0.0006","90","","107.854","0.001","90","","5827.9","0.2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H32 I4 N6 O2 Sn -","- C54 H32 I4 N6 O2 Sn -","- C216 H128 I16 N24 O8 Sn4 -","4","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.048","0.0392","","","0.1017","0.1064","","","","","","1.059","","","","has coordinates","138049","2020-10-21","18:00:00",""
"4512932","12.5951","0.0007","14.0035","0.001","25.5337","0.0019","77.984","0.004","83.401","0.003","73.505","0.003","4216.1","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H74 I8 N16 O2 Sn Zn2 -","- C128 H74 I8 N16 O2 Sn Zn2 -","- C128 H74 I8 N16 O2 Sn Zn2 -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.1182","0.0746","","","0.1878","0.2014","","","","","","1.079","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512933","29.1636","0.0008","9.5465","0.0003","21.3518","0.0006","90","","100.586","0.0015","90","","5843.4","0.3","110","2","110","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C116 H80 I6 N24 O7 Sn2 -","- C116 H80 I6 N24 O7 Sn2 -","- C232 H160 I12 N48 O14 Sn4 -","2","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.0812","0.0612","","","0.1346","0.1409","","","","","","1.093","","","","has coordinates","138049","2020-10-21","18:00:00",""
"4512934","6.3885","0.0003","22.3246","0.0016","28.971","0.002","90","","91.98","0.002","90","","4129.4","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 I2 N6 -","- C42 H24 I2 N6 -","- C168 H96 I8 N24 -","4","1","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.065","0.0411","","","0.0855","0.0909","","","","","","0.993","","","","has coordinates","138049","2020-10-21","18:00:00",""
"4512935","10.4991","0.0007","12.9238","0.0007","20.5966","0.0014","100.132","0.003","104.578","0.003","100.979","0.002","2580.5","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H30 Br2 I2 N8 O4 Sn -","- C54 H30 Br2 I2 N8 O4 Sn -","- C108 H60 Br4 I4 N16 O8 Sn2 -","2","1","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.0814","0.0671","","","0.1891","0.1985","","","","","","1.046","","","","has coordinates","138049","2020-10-21","18:00:00",""
"4512936","11.2642","0.0007","12.6141","0.0007","13.3936","0.0008","80.256","0.003","79.612","0.003","67.802","0.002","1722.42","0.18","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H42 Br2 I2 N8 O12 Sn -","- C70 H42 Br2 I2 N8 O12 Sn -","- C70 H42 Br2 I2 N8 O12 Sn -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.0688","0.0537","","","0.1392","0.1461","","","","","","1.014","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512937","9.128","0.0006","12.0763","0.0007","14.3062","0.0009","95.817","0.002","93.651","0.002","95.135","0.002","1558.37","0.17","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H46 Br2 I2 N8 O10 Sn -","- C64 H46 Br2 I2 N8 O10 Sn -","- C64 H46 Br2 I2 N8 O10 Sn -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.1054","0.0661","","","0.1412","0.1652","","","","","","1.062","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512938","9.5779","0.0007","12.8239","0.001","13.6142","0.0012","81.994","0.003","87.205","0.003","88.339","0.003","1653.5","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H34 I2 N6 O10 Sn -","- C58 H34 I2 N6 O10 Sn -","- C58 H34 I2 N6 O10 Sn -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.079","0.0544","","","0.1435","0.1515","","","","","","1.099","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512939","9.0924","0.0003","13.8395","0.0005","15.4844","0.0007","76.065","0.002","82.58","0.003","72.433","0.001","1799.57","0.12","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H44 I2 N9 O14 S2 Sn -","- C72 H44 I2 N9 O14 S2 Sn -","- C72 H44 I2 N9 O14 S2 Sn -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.061","0.0506","","","0.1236","0.1291","","","","","","1.078","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512940","12.07","0.004","16.257","0.005","14.625","0.005","90","","91.229","0.004","90","","2869.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 O7 S -","- C30 H37 N2 O7 S -","- C120 H148 N8 O28 S4 -","4","1","","Iwama, Sekai; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui","Case Study on the Interpretation of Crystal Structures Inducing Preferential Enrichment Based on the Graph Set Analysis of Hydrogen Bond Motifs","Crystal Growth & Design","2015","15","6","3052","","10.1021/acs.cgd.5b00499","","","0.71075","MoKα","","0.1087","0.0668","","","0.1481","0.1675","","","","","","0.955","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512941","13.672","0.003","14.846","0.004","16.641","0.004","102.543","0.003","102.772","0.003","103.852","0.0018","3065.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 I N2 O7.5 S -","- C30 H38 I N2 O7.5 S -","- C120 H152 I4 N8 O30 S4 -","4","2","","Iwama, Sekai; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui","Case Study on the Interpretation of Crystal Structures Inducing Preferential Enrichment Based on the Graph Set Analysis of Hydrogen Bond Motifs","Crystal Growth & Design","2015","15","6","3052","","10.1021/acs.cgd.5b00499","","","0.71075","MoKα","","0.105","0.0674","","","0.1356","0.1544","","","","","","1.079","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512952","8.4187","0.0004","20.3266","0.0011","33.448","0.0016","90","","90","","90","","5723.7","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H24 Cd N4 O4 -","- C35 H24 Cd N4 O4 -","- C280 H192 Cd8 N32 O32 -","8","1","","Chen, Min-Min; Zhou, Xuan; Li, Hong-Xi; Yang, Xiao-Xi; Lang, Jian-Ping","Luminescent Two-Dimensional Coordination Polymer for Selective and Recyclable Sensing of Nitroaromatic Compounds with High Sensitivity in Water","Crystal Growth & Design","2015","15","6","2753","","10.1021/acs.cgd.5b00095","","","0.71073","MoKα","","0.0416","0.0281","","","0.0603","0.0649","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512953","12.9468","0.0007","8.8566","0.0005","15.9979","0.0007","90","","91.294","0.005","90","","1833.93","0.16","223","0.1","223","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C92 H72 N16 -","4","1","","Chen, Min-Min; Zhou, Xuan; Li, Hong-Xi; Yang, Xiao-Xi; Lang, Jian-Ping","Luminescent Two-Dimensional Coordination Polymer for Selective and Recyclable Sensing of Nitroaromatic Compounds with High Sensitivity in Water","Crystal Growth & Design","2015","15","6","2753","","10.1021/acs.cgd.5b00095","","","0.71073","MoKα","","0.107","0.0545","","","0.1351","0.1664","","","","","","0.873","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512954","29.258","0.002","8.142","0.0006","22.6504","0.0017","90","","126.293","0.001","90","","4349","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 Cl2 N2 O8 -","- C48 H50 Cl2 N2 O8 -","- C192 H200 Cl8 N8 O32 -","4","0.5","","Kohmoto, Shigeo; Chuko, Tomotaka; Hisamatsu, Shugo; Okuda, Yasuhiro; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki","Piezoluminescence and Liquid Crystallinity of 4,4′-(9,10-Anthracenediyl)bispyridinium Salts","Crystal Growth & Design","2015","15","6","2723","","10.1021/acs.cgd.5b00028","","","0.71073","MoKα","","0.0495","0.0397","","","0.1027","0.109","","","","","","1.036","","","","has coordinates,has disorder","138039","2020-10-21","18:00:00",""
"4512955","29.465","0.002","8.1667","0.0006","22.2934","0.0015","90","","126.647","0.001","90","","4304.1","0.5","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H42 Cl2 N2 O7 -","- C47 H42 Cl2 N2 O7 -","- C188 H168 Cl8 N8 O28 -","4","0.5","","Kohmoto, Shigeo; Chuko, Tomotaka; Hisamatsu, Shugo; Okuda, Yasuhiro; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki","Piezoluminescence and Liquid Crystallinity of 4,4′-(9,10-Anthracenediyl)bispyridinium Salts","Crystal Growth & Design","2015","15","6","2723","","10.1021/acs.cgd.5b00028","","","0.71073","MoKα","","0.0582","0.0422","","","0.1188","0.1337","","","","","","1.117","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512956","29.546","0.004","8.2644","0.0011","22.337","0.003","90","","126.948","0.0017","90","","4359","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 Cl2 N2 O8 -","- C48 H50 Cl2 N2 O8 -","- C192 H200 Cl8 N8 O32 -","4","0.5","","Kohmoto, Shigeo; Chuko, Tomotaka; Hisamatsu, Shugo; Okuda, Yasuhiro; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki","Piezoluminescence and Liquid Crystallinity of 4,4′-(9,10-Anthracenediyl)bispyridinium Salts","Crystal Growth & Design","2015","15","6","2723","","10.1021/acs.cgd.5b00028","","","0.71073","MoKα","","0.0928","0.0485","","","0.1316","0.182","","","","","","0.78","","","","has coordinates","138039","2020-10-21","18:00:00",""
"4512957","8.2867","0.0006","15.1896","0.0011","19.9602","0.0015","90","","93.196","0.001","90","","2508.5","0.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 F12 N2 O8 P2 S2 -","- C48 H54 F12 N2 O8 P2 S2 -","- C96 H108 F24 N4 O16 P4 S4 -","2","0.5","","Kohmoto, Shigeo; Chuko, Tomotaka; Hisamatsu, Shugo; Okuda, Yasuhiro; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki","Piezoluminescence and Liquid Crystallinity of 4,4′-(9,10-Anthracenediyl)bispyridinium Salts","Crystal Growth & Design","2015","15","6","2723","","10.1021/acs.cgd.5b00028","","","0.71073","MoKα","","0.0632","0.0515","","","0.1389","0.1488","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512958","17.6998","0.0005","20.0245","0.0006","34.7604","0.001","90","","98.459","0.001","90","","12186.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RsC3, bpea,EtOH, Water","C-propylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane, Ethanol, water","","- C500 H552 N20 O98 -","- C500 H552 N20 O98 -","- C500 H552 N20 O98 -","1","0.25","","Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent-Induced Manipulation of Supramolecular Organic Frameworks","Crystal Growth & Design","2015","15","6","2781","","10.1021/acs.cgd.5b00148","","","1.54178","CuKα","","0.0995","0.0933","","","0.2745","0.283","","","","","","1.027","","","","has coordinates,has disorder","138040","2020-10-21","18:00:00",""
"4512959","14.1737","0.0012","16.3706","0.0014","26.37","0.002","97.489","0.001","95.991","0.001","102.901","0.001","5856.7","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC1, bpea, MeCN","C-propylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane, acetonitrile","","- C67 H76.5 N5.5 O8 -","- C67 H76.5 N5.5 O8 -","- C268 H306 N22 O32 -","4","2","","Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent-Induced Manipulation of Supramolecular Organic Frameworks","Crystal Growth & Design","2015","15","6","2781","","10.1021/acs.cgd.5b00148","","","0.71073","MoKα","","0.0843","0.0528","","","0.1313","0.1496","","","","","","1.037","","","","has coordinates","152088","2020-10-21","18:00:00",""
"4512960","11.318","0.0017","14.446","0.002","27.016","0.004","90","","94.706","0.002","90","","4402.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RsC1, bpea, MeCN","C-Methylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane, Acetonitrile","","- C52 H53 N4 O8 -","- C52 H53 N4 O8 -","- C208 H212 N16 O32 -","4","1","","Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent-Induced Manipulation of Supramolecular Organic Frameworks","Crystal Growth & Design","2015","15","6","2781","","10.1021/acs.cgd.5b00148","","","0.71073","MoKα","","0.1335","0.0583","","","0.124","0.1582","","","","","","0.979","","","","has coordinates","138040","2020-10-21","18:00:00",""
"4512961","26.9942","0.0008","18.3383","0.0005","19.1907","0.0005","90","","90","","90","","9499.9","0.5","100","2","100","2","","","","","","","","4","I b a 2","I 2 -2c","45","RsC3, bpea","C-propylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane","","- C56 H56 N4 O8 -","- C56 H56 N4 O8 -","- C448 H448 N32 O64 -","8","1","","Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent-Induced Manipulation of Supramolecular Organic Frameworks","Crystal Growth & Design","2015","15","6","2781","","10.1021/acs.cgd.5b00148","","","1.54178","CuKα","","0.0581","0.0544","","","0.1574","0.1608","","","","","","1.122","","","","has coordinates","138040","2020-10-21","18:00:00",""
"4512962","7.979","0.002","12.095","0.003","12.297","0.004","111.681","0.011","89.932","0.016","100.158","0.012","1082.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 La2 O14 -","- C12 H12 La2 O14 -","- C24 H24 La4 O28 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","","0.71073","MoKα","","0.0717","0.0397","","","0.0943","0.0991","","","","","","0.822","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512963","7.8354","0.0007","12.0496","0.0016","12.2524","0.0016","112.015","0.005","89.967","0.007","99.921","0.007","1053.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 Nd2 O14 -","- C12 H12 Nd2 O14 -","- C24 H24 Nd4 O28 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","","0.71073","MoKα","","0.1571","0.0844","","","0.2266","0.2392","","","","","","0.969","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512964","7.705","0.0003","11.9893","0.0007","12.1828","0.0006","112.143","0.002","89.979","0.003","99.58","0.003","1025.48","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 Gd2 O14 -","- C12 H16 Gd2 O14 -","- C24 H32 Gd4 O28 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","","0.71073","MoKα","","0.1661","0.1365","","","0.3542","0.3801","","","","","","1.121","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512965","10.2108","0.0005","13.7312","0.0007","14.7406","0.0009","90","","90","","90","","2066.73","0.19","293","2","293","2","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- C12 H22 La2 O17 -","- C12 H22 La2 O17 -","- C48 H88 La8 O68 -","4","0.5","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","x-ray","0.71073","MoKα","","0.0729","0.0412","","","0.0887","0.0927","","","","","","1.079","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512966","7.877","0.01","12.06","0.03","12.275","0.013","112.12","0.04","89.98","0.03","99.95","0.05","1061","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O14 Pr2 -","- C12 H14 O14 Pr2 -","- C24 H28 O28 Pr4 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","","0.71073","MoKα","","0.1415","0.1219","","","0.3554","0.3637","","","","","","1.501","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512967","6.321","0.002","6.693","0.002","10.757","0.004","90","","98.533","0.007","90","","450.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu H4 O12 S2 Tb2 -","- Cu H4 O12 S2 Tb2 -","- Cu2 H8 O24 S4 Tb4 -","2","0.5","","Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen","Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network","Crystal Growth & Design","2015","15","6","2742","","10.1021/acs.cgd.5b00057","","","0.71073","MoKα","","0.0243","0.022","","","0.0557","0.0567","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512968","6.369","0.003","6.76","0.003","10.82","0.004","90","","98.6","0.009","90","","460.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu Eu2 H4 O12 S2 -","- Cu Eu2 H4 O12 S2 -","- Cu2 Eu4 H8 O24 S4 -","2","0.5","","Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen","Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network","Crystal Growth & Design","2015","15","6","2742","","10.1021/acs.cgd.5b00057","","","0.71073","MoKα","","0.0225","0.0203","","","0.0551","0.0566","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512969","6.393","0.003","6.792","0.003","10.845","0.005","90","","98.616","0.009","90","","465.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu H4 O12 S2 Sm2 -","- Cu H4 O12 S2 Sm2 -","- Cu2 H8 O24 S4 Sm4 -","2","0.5","","Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen","Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network","Crystal Growth & Design","2015","15","6","2742","","10.1021/acs.cgd.5b00057","","","0.71073","MoKα","","0.0269","0.0229","","","0.0582","0.0611","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512970","11.8471","0.0002","18.1104","0.0003","17.8499","0.0003","90","","90","","90","","3829.8","0.11","134.99","0.1","134.99","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H13 N5 O5 Zn -","- C20 H13 N5 O5 Zn -","- C160 H104 N40 O40 Zn8 -","8","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","1.54184","CuKα","","0.088","0.082","","","0.242","0.2505","","","","","","1.048","","","","has coordinates,has disorder","138047","2020-10-21","18:00:00",""
"4512971","11.099","0.0002","12.1358","0.0002","16.4905","0.0002","90","","103.305","0.001","90","","2161.57","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 O6 Zn -","- C22 H19 N5 O6 Zn -","- C88 H76 N20 O24 Zn4 -","4","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","0.71073","MoKα","","0.0424","0.0365","","","0.1114","0.1163","","","","","","1.078","","","","has coordinates","138047","2020-10-21","18:00:00",""
"4512972","8.534","0.0001","9.6573","0.0001","10.2602","0.0001","78.93","","75.695","0.001","76.4","0.001","788.315","0.015","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cd N3 O7 -","- C14 H16 Cd N3 O7 -","- C28 H32 Cd2 N6 O14 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","0.71073","MoKα","","0.0281","0.0274","","","0.0776","0.0781","","","","","","1.088","","","","has coordinates","138047","2020-10-21","18:00:00",""
"4512973","8.6453","0.0004","10.3129","0.0005","12.725","0.0006","109.491","0.002","95.535","0.002","97.425","0.002","1048.66","0.09","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cd N5 O5 -","- C22 H17 Cd N5 O5 -","- C44 H34 Cd2 N10 O10 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","0.71073","MoKα","","0.0561","0.0539","","","0.1429","0.1447","","","","","","1.099","","","","has coordinates","138047","2020-10-21","18:00:00",""
"4512974","8.6073","0.0001","10.209","0.0002","12.6781","0.0002","108.254","0.001","97.836","0.001","97.302","0.001","1030.9","0.03","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Mn N5 O5 -","- C22 H17 Mn N5 O5 -","- C44 H34 Mn2 N10 O10 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","0.71073","MoKα","","0.0943","0.092","","","0.2499","0.2521","","","","","","1.045","","","","has coordinates","138047","2020-10-21","18:00:00",""
"4512975","11.2182","0.0009","17.3265","0.001","11.2359","0.0008","90","","116.602","0.005","90","","1952.8","0.3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Co N4 O5 -","- C18 H20 Co N4 O5 -","- C72 H80 Co4 N16 O20 -","4","1","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.1054","0.0574","","","0.1056","0.122","","","","","","0.827","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512976","10.34","0.005","12.798","0.005","19.845","0.005","90","0.005","99.722","0.005","90","0.005","2588.4","1.7","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cd N4 O5 -","- C18 H20 Cd N4 O5 -","- C72 H80 Cd4 N16 O20 -","4","1","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.0741","0.0508","","","0.1263","0.1407","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512977","19.9356","0.0006","19.9356","0.0006","50.3772","0.0013","90","","90","","120","","17339","0.9","140","2","140","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H30 Mn N8 O4 -","- C26 H30 Mn N8 O4 -","- C468 H540 Mn18 N144 O72 -","18","0.5","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.0891","0.0685","","","0.1525","0.1616","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512978","19.688","0.0015","19.688","0.0015","48.637","0.005","90","","90","","120","","16327","2","140","2","140","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H30 N8 Ni O4 -","- C26 H30 N8 Ni O4 -","- C468 H540 N144 Ni18 O72 -","18","0.5","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.0885","0.0654","","","0.132","0.1412","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512979","19.791","0.006","19.791","0.006","48.771","0.015","90","","90","","120","","16544","9","140","2","140","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H30 Co N8 O4 -","- C26 H30 Co N8 O4 -","- C468 H540 Co18 N144 O72 -","18","0.5","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.1018","0.0668","","","0.1739","0.1912","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512980","6.8666","0.0008","11.9826","0.0011","35.436","0.003","90","","90","","90","","2915.7","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Br2 Cl Hg N3 O -","- C11 H8 Br2 Cl Hg N3 O -","- C88 H64 Br16 Cl8 Hg8 N24 O8 -","8","1","","Khavasi, Hamid Reza; Norouzi, Fataneh; Azhdari Tehrani, Alireza","Halogen Bonding Synthon Modularity in Coordination Compounds","Crystal Growth & Design","2015","15","6","2579","","10.1021/acs.cgd.5b00282","","","0.71073","MoKα","","0.091","0.0871","","","0.1782","0.1921","","","","","","1.14","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512981","6.7633","0.0004","13.0955","0.0007","35.472","0.002","90","","90","","90","","3141.7","0.3","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C11 H7 Br2 Cl2 Hg N3 O -","- C11 H7 Br2 Cl2 Hg N3 O -","- C88 H56 Br16 Cl16 Hg8 N24 O8 -","8","","","Khavasi, Hamid Reza; Norouzi, Fataneh; Azhdari Tehrani, Alireza","Halogen Bonding Synthon Modularity in Coordination Compounds","Crystal Growth & Design","2015","15","6","2579","","10.1021/acs.cgd.5b00282","","","0.71073","MoKα","","0.0837","0.0699","","","0.1588","0.166","","","","","","1.215","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512982","12.367","0.003","12.398","0.003","19.467","0.005","73.74","0.003","85.023","0.003","60.828","0.003","2497.6","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propyl-pyrogallol[4]arene with anthracene","","","- C58 H64 N2 O12 -","- C58 H64 N2 O12 -","- C116 H128 N4 O24 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0881","0.0534","","","0.13","0.1476","","","","","","1.084","","","","has coordinates","138057","2020-10-21","18:00:00",""
"4512983","12.609","0.004","15.119","0.004","16.31","0.005","75.447","0.004","74.918","0.004","89.797","0.004","2899.5","1.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","C-propylpyrogallol[4]arene with anthracene","","","- C63 H82 O15 -","- C63 H82 O15 -","- C126 H164 O30 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.1273","0.0928","","","0.2656","0.2863","","","","","","1.081","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512984","12.7344","0.0011","13.2047","0.0011","14.2578","0.0012","79.756","0.001","87.706","0.001","77.347","0.001","2302","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","C-ethylpyrogallol[4]arene with acridine","","","- C52 H59 N O14 S -","- C52 H59 N O14 S -","- C104 H118 N2 O28 S2 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0803","0.0576","","","0.1534","0.1644","","","","","","1.108","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512985","12.376","0.003","12.39","0.003","19.456","0.005","72.87","0.003","84.455","0.003","60.803","0.003","2484.8","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with acridine","","","- C57 H63 N3 O12 -","- C57 H63 N3 O12 -","- C114 H126 N6 O24 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0859","0.0543","","","0.1406","0.1598","","","","","","1.035","","","","has coordinates","138057","2020-10-21","18:00:00",""
"4512986","12.5557","0.0009","15.1406","0.0011","16.5885","0.0012","75.979","0.001","73.215","0.001","89.712","0.001","2922","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with acridine","","","- C62 H81 N O15 -","- C62 H81 N O15 -","- C124 H162 N2 O30 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0844","0.0581","","","0.1482","0.1652","","","","","","1.049","","","","has coordinates","138057","2020-10-21","18:00:00",""
"4512987","12.0728","0.0002","18.6413","0.0003","25.0793","0.0004","106.891","0.001","99.571","0.001","99.528","0.001","5186.92","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112.2 H140.2 N2 O39 -","- C112.2 H139.2 N2 O39 -","- C224.4 H278.4 N4 O78 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","1.54178","CuKα","","0.0804","0.074","","","0.2179","0.2269","","","","","","1.016","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512988","12.1097","0.0007","12.1744","0.0007","20.6809","0.0015","79.141","0.002","75.948","0.003","63.826","0.002","2642.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C-ethylpyrogallol[4]arene with bromoanthracene","","","- C60 H63.5 Br1.5 O14 S -","- C60 H63.5 Br1.5 O14 S -","- C120 H127 Br3 O28 S2 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.1211","0.0836","","","0.2048","0.2324","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512989","17.1188","0.0009","19.5418","0.001","20.4595","0.0011","103.841","0.003","95.487","0.003","115.156","0.002","5861.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with bromoanthracene","","","- C130 H146 Br3 O28 -","- C130 H146 Br3 O28 -","- C260 H292 Br6 O56 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","1.54178","CuKα","","0.1563","0.1253","","","0.3521","0.3727","","","","","","1.068","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512990","12.524","0.002","15.636","0.003","16.677","0.003","76.865","0.002","70.362","0.002","87.31","0.002","2993.8","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with bromoanthracene","","","- C63 H83.04 Br O16.05 -","- C63 H81.044 Br O16.048 -","- C126 H162.088 Br2 O32.096 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0993","0.0861","","","0.2488","0.2626","","","","","","1.03","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512991","11.6471","0.0016","12.0998","0.0017","16.385","0.002","99.407","0.002","100.219","0.002","98.792","0.002","2202.2","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-methylpyrogallol[4]arene with anthraldehyde","","","- C50 H55 O16.5 -","- C50 H54.5 O16.5 -","- C100 H109 O33 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0613","0.0469","","","0.1262","0.1398","","","","","","1.043","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512992","12.5813","0.0002","14.3539","0.0002","27.3466","0.0004","90","","90.797","0.001","90","","4938.06","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C-methylpyrogallol[4]arene with anthraldehyde","","","- C56 H68 O17 -","- C56 H66 O17 -","- C224 H264 O68 -","4","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","1.54178","CuKα","","0.0778","0.0756","","","0.2209","0.2229","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512993","12.3446","0.0009","12.3566","0.0009","17.4655","0.0012","88.6","0.001","72.767","0.001","60.859","0.001","2199.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with anthraldehyde","","","- C53 H53 N O13 -","- C53 H53 N O13 -","- C106 H106 N2 O26 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0495","0.0411","","","0.1119","0.1217","","","","","","1.055","","","","has coordinates","138057","2020-10-21","18:00:00",""
"4512994","12.1482","0.0007","12.1747","0.0007","17.8336","0.001","86.284","0.001","85.859","0.001","63.873","0.001","2360.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-ethylpyrogallol[4]arene with anthraldehyde","","","- C54 H62 O16 -","- C54 H58 O16 -","- C108 H116 O32 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0645","0.0532","","","0.1463","0.1576","","","","","","1.06","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512995","12.528","0.002","12.719","0.002","19.053","0.003","79.049","0.002","73.703","0.002","63.292","0.002","2595.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with anthraldehyde","","","- C59 H66 N2 O14.5 -","- C59 H63 N2 O14.5 -","- C118 H126 N4 O29 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.1106","0.0822","","","0.2361","0.2622","","","","","","1.06","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512996","17.2462","0.0005","19.3561","0.0006","20.3195","0.0006","103.446","0.001","96.362","0.002","115.26","0.001","5793.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-propylpyrogallol[4]arene with anthraldehyde","","","- C133 H149.5 O31 -","- C133 H149.5 O31 -","- C266 H299 O62 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","1.54178","CuKα","","0.0958","0.0835","","","0.2393","0.2518","","","","","","1.033","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512997","19.7677","0.0017","20.5845","0.0018","20.8045","0.0018","98.145","0.001","104.042","0.001","110.718","0.001","7436.1","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-hexylpyrogallol[4]arene with anthraldehyde","","","- C153.5 H215.5 O33 -","- C153.5 H215.5 O33 -","- C307 H431 O66 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.21","0.1043","","","0.3036","0.3868","","","","","","1.131","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512998","10.358","0.004","23.029","0.009","23.208","0.009","90","","94.531","0.005","90","","5519","4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C59 H74 O20 -","- C59 H74 O20 -","- C236 H296 O80 -","4","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.1777","0.0704","","","0.1551","0.206","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512999","6.9824","0.0007","6.9824","0.0007","5.4749","0.0006","90","","90","","120","","231.16","0.04","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0183","0.0183","","","0.0482","0.0482","","","","","","1.146","","","","has coordinates","138058","2020-10-21","18:00:00",""
"4513000","5.124","0.006","12.042","0.014","5.496","0.007","90","","111.647","0.014","90","","315.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0541","0.0431","","","0.1219","0.1303","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513001","5.0749","0.0008","6.1692","0.001","5.388","0.0008","90","","113.393","0.002","90","","154.82","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0235","0.0232","","","0.0633","0.0637","","","","","","1.196","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513002","5.0855","0.0003","11.8018","0.0008","5.46","0.0004","90","","111.973","0.001","90","","303.89","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0307","0.0279","","","0.0776","0.0799","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513003","11.5654","0.0016","13.0337","0.0017","14.192","0.002","63.048","0.002","83.259","0.003","80.009","0.002","1876.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cu4 O30 Sm2 -","- C34 H24 Cu4 O30 Sm2 -","- C68 H48 Cu8 O60 Sm4 -","2","1","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","Two Types of Cu-Ln Heterometallic Coordination Polymers with 2-Hydroxyisophthalate: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","6","2883","","10.1021/acs.cgd.5b00327","","","0.71073","MoKα","","0.0407","0.0292","","","0.0836","0.1005","","","","","","1.119","","","","has coordinates","138059","2020-10-21","18:00:00",""
"4513004","9.87924","0.00019","12.1357","0.0003","12.7211","0.0003","116.174","0.002","96.5555","0.0018","92.0057","0.0018","1353.57","0.06","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu3 O21 Tb -","- C24 H21 Cu3 O21 Tb -","- C48 H42 Cu6 O42 Tb2 -","2","1","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","Two Types of Cu-Ln Heterometallic Coordination Polymers with 2-Hydroxyisophthalate: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","6","2883","","10.1021/acs.cgd.5b00327","","","0.71073","MoKα","","0.0474","0.0433","","","0.1251","0.1276","","","","","","1.108","","","","has coordinates","138059","2020-10-21","18:00:00",""
"4513005","9.8558","0.0005","12.1424","0.0006","12.7113","0.0006","116.01","0.005","96.509","0.004","92.511","0.004","1350.85","0.13","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu3 Dy O21 -","- C24 H21 Cu3 Dy O21 -","- C48 H42 Cu6 Dy2 O42 -","2","1","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","Two Types of Cu-Ln Heterometallic Coordination Polymers with 2-Hydroxyisophthalate: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","6","2883","","10.1021/acs.cgd.5b00327","","","0.71073","MoKα","","0.0448","0.0334","","","0.0678","0.0709","","","","","","1.001","","","","has coordinates","138059","2020-10-21","18:00:00",""
"4513006","11.5374","0.0004","12.9882","0.0004","14.0916","0.0005","62.648","0.004","83.193","0.003","80.362","0.003","1846.99","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cu4 Eu2 O30 -","- C34 H24 Cu4 Eu2 O30 -","- C68 H48 Cu8 Eu4 O60 -","2","1","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","Two Types of Cu-Ln Heterometallic Coordination Polymers with 2-Hydroxyisophthalate: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","6","2883","","10.1021/acs.cgd.5b00327","","","0.71073","MoKα","","0.0488","0.0345","","","0.0695","0.0736","","","","","","1.049","","","","has coordinates","138059","2020-10-21","18:00:00",""
"4513007","7.00853","0.00019","14.2899","0.0004","14.7561","0.0005","109.521","0.003","92.258","0.002","101.047","0.002","1358.51","0.08","120","2","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Br6 N8 O4 Re -","- C16 H22 Br6 N8 O4 Re -","- C32 H44 Br12 N16 O8 Re2 -","2","1","","Martínez-Lillo, José; Pedersen, Anders H.; Faus, Juan; Julve, Miguel; Brechin, Euan K.","Effect of Protonated Organic Cations and Anion−π Interactions on the Magnetic Behavior of Hexabromorhenate(IV) Salts","Crystal Growth & Design","2015","15","6","2598","","10.1021/acs.cgd.5b00436","","","0.71073","MoKα","","0.0384","0.0291","","","0.0524","0.0555","","","","","","1.034","","","","has coordinates","138060","2020-10-21","18:00:00",""
"4513008","8.2613","0.0005","8.3131","0.0005","8.3431","0.0005","108.544","0.005","111.239","0.006","99.162","0.005","481.3","0.06","120.01","0.1","120","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 Br6 N4 O4 Re -","- C6 H16 Br6 N4 O4 Re -","- C6 H16 Br6 N4 O4 Re -","1","0.5","","Martínez-Lillo, José; Pedersen, Anders H.; Faus, Juan; Julve, Miguel; Brechin, Euan K.","Effect of Protonated Organic Cations and Anion−π Interactions on the Magnetic Behavior of Hexabromorhenate(IV) Salts","Crystal Growth & Design","2015","15","6","2598","","10.1021/acs.cgd.5b00436","","","0.71073","MoKα","","0.0261","0.0233","","","0.0501","0.0515","","","","","","1.062","","","","has coordinates","138060","2020-10-21","18:00:00",""
"4513009","5.122","0.001","6.1827","0.0012","18.005","0.004","88.91","0.03","87.15","0.03","80.56","0.03","561.7","0.2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H3 F13 O2 -","- C8 H3 F13 O2 -","- C16 H6 F26 O4 -","2","1","","Omorodion, Harrison; Twamley, Brendan; Platts, James A.; Baker, Robert J.","Further Evidence on the Importance of Fluorous‒Fluorous Interactions in Supramolecular Chemistry: A Combined Structural and Computational Study","Crystal Growth & Design","2015","15","6","2835","","10.1021/acs.cgd.5b00254","","","0.71073","MoKα","","0.0496","0.0479","","","0.1398","0.1415","","","","","","1.171","","","","has coordinates","138062","2020-10-21","18:00:00",""
"4513010","45.931","0.003","5.4147","0.0004","19.6834","0.0016","90","","108.222","0.005","90","","4649.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 F25 N3 -","- C16 H6 F25 N3 -","- C128 H48 F200 N24 -","8","1","","Omorodion, Harrison; Twamley, Brendan; Platts, James A.; Baker, Robert J.","Further Evidence on the Importance of Fluorous‒Fluorous Interactions in Supramolecular Chemistry: A Combined Structural and Computational Study","Crystal Growth & Design","2015","15","6","2835","","10.1021/acs.cgd.5b00254","","","1.54178","CuKα","","0.1013","0.0672","","","0.1736","0.1949","","","","","","1.04","","","","has coordinates","138062","2020-10-21","18:00:00",""
"4513011","16.3012","0.0002","16.5873","0.0002","17.1743","0.0002","90","","90","","90","","4643.81","0.1","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H80 B24 N12 O79.23 V10 -","- C18 H80 B24 N12 O79.224 V10 -","- C36 H160 B48 N24 O158.448 V20 -","2","0.5","","Muñoz-Becerra, Karina; Hermosilla-Ibáñez, Patricio; Le Fur, Eric; Cador, Olivier; Paredes-García, Verónica; Spodine, Evgenia; Venegas-Yazigi, Diego","First Non-Centrosymmetric Deca-Vanadoborate with Borate Vacancies, Self-Assembled around a 1,3-Propanediammonium Cation","Crystal Growth & Design","2015","15","6","2561","","10.1021/acs.cgd.5b00102","","","0.71069","MoKα","","0.0689","0.0505","","","0.1359","0.1482","","","","","","1.051","","","","has coordinates","138063","2020-10-21","18:00:00",""
"4513012","8.0965","0.0002","20.7655","0.0008","8.645","0.0003","90","","99.261","0.003","90","","1434.52","0.08","293","","293","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 O6 S2 -","- C11 H12 N4 O6 S2 -","- C44 H48 N16 O24 S8 -","4","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.0454","0.0412","","","0.1143","0.1179","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513013","8.2663","0.0004","13.2756","0.0006","16.3969","0.0007","80.078","0.004","77.538","0.004","87.524","0.004","1730.69","0.14","293","","293","","","","","","","","see text","5","P -1","-P 1","2","sulfamethizole:4-aminopyridine hemihydrate","","","- C14 H17 N6 O2.5 S2 -","- C14 H17 N6 O2.5 S2 -","- C56 H68 N24 O10 S8 -","4","2","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.0684","0.0573","","","0.1561","0.171","","","","","","1.054","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4513014","9.3453","0.0004","10.8396","0.0004","18.5068","0.0008","90","","101.883","0.004","90","","1834.55","0.13","293","","293","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N5 O4 S2 -","- C16 H17 N5 O4 S2 -","- C64 H68 N20 O16 S8 -","4","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.0559","0.0483","","","0.1335","0.1439","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513015","5.7635","0.0003","14.2583","0.0006","16.1039","0.0008","81.266","0.004","81.295","0.004","79.045","0.004","1273.93","0.11","293","","293","","","","","","","","see text","5","P -1","-P 1","2","sulfamethizole sulfate","","","- C18 H22 N8 O8 S5 -","- C18 H22 N8 O8 S5 -","- C36 H44 N16 O16 S10 -","2","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.0441","0.0386","","","0.0985","0.1027","","","","","","1.047","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4513016","5.8358","0.0005","14.2437","0.0014","16.2986","0.0017","81.747","0.008","81.388","0.008","79.17","0.008","1306.3","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 N8 O8 S4 Se -","- C18 H22 N8 O8 S4 Se -","- C36 H44 N16 O16 S8 Se2 -","2","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","","0.71073","MoKα","","0.089","0.0622","","","0.1365","0.1574","","","","","","1.0645","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513017","24.758","0.002","6.9874","0.0005","21.06","0.0012","90","","106.985","0.003","90","","3484.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N4 O6 S2 -","- C32 H26 N4 O6 S2 -","- C128 H104 N16 O24 S8 -","4","0.5","","Suhonen, Aku; Morgan, Ian S.; Nauha, Elisa; Helttunen, Kaisa; Tuononen, Heikki M.; Nissinen, Maija","Effect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study","Crystal Growth & Design","2015","15","6","2602","","10.1021/acs.cgd.5b00424","","","1.54178","CuKα","","0.0652","0.0469","","","0.1216","0.1308","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513018","13.1334","0.0003","22.787","0.0006","11.6864","0.0004","90","","104.874","0.001","90","","3380.21","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl2 N4 O6 S2 -","- C34 H30 Cl2 N4 O6 S2 -","- C136 H120 Cl8 N16 O24 S8 -","4","1","","Suhonen, Aku; Morgan, Ian S.; Nauha, Elisa; Helttunen, Kaisa; Tuononen, Heikki M.; Nissinen, Maija","Effect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study","Crystal Growth & Design","2015","15","6","2602","","10.1021/acs.cgd.5b00424","","","1.54178","CuKα","","0.0578","0.0449","","","0.1104","0.1188","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513019","25.1534","0.0017","7.0022","0.0005","20.3283","0.0017","90","","106.073","0.003","90","","3440.4","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N6 O6 S2 -","- C36 H32 N6 O6 S2 -","- C144 H128 N24 O24 S8 -","4","0.5","","Suhonen, Aku; Morgan, Ian S.; Nauha, Elisa; Helttunen, Kaisa; Tuononen, Heikki M.; Nissinen, Maija","Effect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study","Crystal Growth & Design","2015","15","6","2602","","10.1021/acs.cgd.5b00424","","","1.54178","CuKα","","0.15","0.0703","","","0.128","0.1607","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513020","16.3178","0.0006","22.6663","0.0011","11.7012","0.0008","90","","94.529","0.002","90","","4314.3","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O6 S2 -","- C32 H26 N4 O6 S2 -","- C128 H104 N16 O24 S8 -","4","1","","Suhonen, Aku; Morgan, Ian S.; Nauha, Elisa; Helttunen, Kaisa; Tuononen, Heikki M.; Nissinen, Maija","Effect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study","Crystal Growth & Design","2015","15","6","2602","","10.1021/acs.cgd.5b00424","","","1.54178","CuKα","","0.1211","0.0712","","","0.2113","0.2572","","","","","","1.0259","","","","has coordinates","171415","2020-10-21","18:00:00",""
"4513021","9.04","0.005","18.306","0.005","21.435","0.005","90","0.005","95.24","0.005","90","0.005","3532","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Eu4 H16 O44 P9 -","- Eu4 H16 O44 P9 -","- Eu16 H64 O176 P36 -","4","0.5","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Halder, Ritesh; Maji, Tapas Kumar; Chandrasekhar, Vadapalli","P‒C Bond Cleavage-Assisted Lanthanide Phosphate Coordination Polymers","Crystal Growth & Design","2015","15","6","2555","","10.1021/cg5017005","","","0.71069","MoKα","","0.0281","0.0257","","","0.0588","0.0601","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513022","8.965","0.005","18.187","0.005","21.316","0.005","90","0.005","95.672","0.005","90","0.005","3458","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Dy4 H16 O44 P9 -","- Dy4 H16 O44 P9 -","- Dy16 H64 O176 P36 -","4","0.5","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Halder, Ritesh; Maji, Tapas Kumar; Chandrasekhar, Vadapalli","P‒C Bond Cleavage-Assisted Lanthanide Phosphate Coordination Polymers","Crystal Growth & Design","2015","15","6","2555","","10.1021/cg5017005","","","0.71069","MoKα","","0.0424","0.0327","","","0.0731","0.0775","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513023","6.556","0.005","18.68","0.005","8.69","0.005","90","0.005","97.286","0.005","90","0.005","1055.6","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Gd H10 O13 P2 -","- Gd H10 O13 P2 -","- Gd4 H40 O52 P8 -","4","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Halder, Ritesh; Maji, Tapas Kumar; Chandrasekhar, Vadapalli","P‒C Bond Cleavage-Assisted Lanthanide Phosphate Coordination Polymers","Crystal Growth & Design","2015","15","6","2555","","10.1021/cg5017005","","","0.71069","MoKα","","0.0569","0.0546","","","0.1268","0.1287","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513024","23.59331","0.00044","13.84586","0.00028","6.80104","0.0001","90","","95.1952","0.0017","90","","2212.57","0.07","303","","303","","0","","0","","","","","6","P 1 21/a 1","-P 2yab","14","Thecotrichite","","","- C6 H21 Ca3 Cl N2 O18 -","- C6 Ca3 Cl N2 O18 -","- C24 Ca12 Cl4 N8 O72 -","4","1","","Wahlberg, Nanna; Runčevski, Tomče; Dinnebier, Robert E.; Fischer, Andrea; Eggert, Gerhard; Iversen, Bo B.","Crystal Structure of Thecotrichite, an Efflorescent Salt on Calcareous Objects Stored in Wooden Cabinets","Crystal Growth & Design","2015","15","6","2795","","10.1021/acs.cgd.5b00197","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.97277","","","","","","","has coordinates","287887","2023-11-30","13:27:20",""
"4513025","13.8342","0.0004","22.8608","0.0005","7.8578","0.0002","90","","90","","90","","2485.11","0.11","140","2","140","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C26 H33 N O6 -","- C26 H33 N O6 -","- C104 H132 N4 O24 -","4","0.5","","Drużbicki, Kacper; Mielcarek, Jadwiga; Kiwilsza, Anna; Toupet, Loic; Collet, Eric; Pajzderska, Aleksandra; Wąsicki, Jan","Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine","Crystal Growth & Design","2015","15","6","2817","","10.1021/acs.cgd.5b00251","","","0.71073","MoKα","","0.0552","0.0413","","","0.0908","0.0988","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513026","7.8582","0.0002","22.8598","0.0005","13.8341","0.0005","90","","90.02","0.003","90","","2485.11","0.12","140","2","140","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H66 N2 O12 -","- C52 H66 N2 O12 -","- C104 H132 N4 O24 -","2","0.5","","Drużbicki, Kacper; Mielcarek, Jadwiga; Kiwilsza, Anna; Toupet, Loic; Collet, Eric; Pajzderska, Aleksandra; Wąsicki, Jan","Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine","Crystal Growth & Design","2015","15","6","2817","","10.1021/acs.cgd.5b00251","","","0.71073","MoKα","","0.0928","0.0693","","","0.1558","0.197","","","","","","1.737","","","","has coordinates","138061","2020-10-21","18:00:00",""
"4513031","5.1601","0.0005","7.4276","0.0005","8.5686","0.0007","81.465","0.004","86.299","0.006","78.209","0.005","317.72","0.05","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H11 N2 O2 -","- C4 H11 N2 O2 -","- C8 H22 N4 O4 -","2","1","","Zhou, Yating; Guo, Fang; Hughes, Colan E.; Browne, Duncan L.; Peskett, Thomas R.; Harris, Kenneth D. M.","Discovery of New Metastable Polymorphs in a Family of Urea Co-Crystals by Solid-State Mechanochemistry","Crystal Growth & Design","2015","15","6","2901","","10.1021/acs.cgd.5b00331","powder diffraction","x-ray","1.5406","","","","","","","","","0.1278","","1.44","","","","","","","has coordinates","138041","2020-10-21","18:00:00",""
"4513032","13.235","0.003","9.53","0.0019","30.364","0.006","90","","91.23","0.03","90","","3828.9","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 Cl4 Hg N2 O2.5 -","- C35.98 H44 Cl4 Hg N2 O2.59 -","- C143.92 H176 Cl16 Hg4 N8 O10.36 -","4","1","","Guo, Fang; Wang, Xu; Guan, Hong-yu; Yu, Hai-bin; Li, Lei; Chen, Shan-shan; Famulari, Antonino; Martí-Rujas, Javier","Tuning the Inclusion Properties and Solid-State Reactivity of Second Sphere Adducts Using Conformationally Flexible Bidentate Ligands","Crystal Growth & Design","2015","15","6","2842","","10.1021/acs.cgd.5b00272","","","0.71073","MoKα","","0.0657","0.0566","","","0.133","0.139","","","","","","1.04","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513033","9.3246","0.0006","19.2529","0.0012","20.0677","0.0012","90","","91.49","0.002","90","","3601.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl4 Hg N3 O -","- C34 H41 Cl4 Hg N3 O -","- C136 H164 Cl16 Hg4 N12 O4 -","4","1","","Guo, Fang; Wang, Xu; Guan, Hong-yu; Yu, Hai-bin; Li, Lei; Chen, Shan-shan; Famulari, Antonino; Martí-Rujas, Javier","Tuning the Inclusion Properties and Solid-State Reactivity of Second Sphere Adducts Using Conformationally Flexible Bidentate Ligands","Crystal Growth & Design","2015","15","6","2842","","10.1021/acs.cgd.5b00272","","","1.54178","CuKα","","0.0239","0.0236","","","0.0636","0.064","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513034","12.1614","0.0016","8.1562","0.0011","16.023","0.002","90","","97.417","0.002","90","","1576","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Liu, Kuojin; Qiu, Feng; Yang, Chongqing; Tang, Ruizhi; Fu, Yubin; Han, Sheng; Zhuang, Xiaodong; Mai, Yiyong; Zhang, Fan; Feng, Xinliang","Nonplanar Ladder-Type Polycyclic Conjugated Molecules: Structures and Solid-State Properties","Crystal Growth & Design","2015","15","7","3332","","10.1021/acs.cgd.5b00429","","","0.71073","MoKα","","0.0362","0.0337","","","0.0964","0.0991","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513035","21.224","0.0007","11.4366","0.0005","34.4862","0.001","90","","89.876","0.003","90","","8370.8","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 O4 -","- C48 H64 O4 -","- C384 H512 O32 -","8","2","","Liu, Kuojin; Qiu, Feng; Yang, Chongqing; Tang, Ruizhi; Fu, Yubin; Han, Sheng; Zhuang, Xiaodong; Mai, Yiyong; Zhang, Fan; Feng, Xinliang","Nonplanar Ladder-Type Polycyclic Conjugated Molecules: Structures and Solid-State Properties","Crystal Growth & Design","2015","15","7","3332","","10.1021/acs.cgd.5b00429","","","1.54178","CuKα","","0.2313","0.166","","","0.4079","0.477","","","","","","1.495","","","","has coordinates,has disorder","140064","2020-10-21","18:00:00",""
"4513036","6.238","0.002","8.098","0.002","18.502","0.004","78.4","0.03","86.55","0.03","78.71","0.03","897.6","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Modulating Porosity through Conformer-Dependent Hydrogen Bonding in Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","7","3417","","10.1021/acs.cgd.5b00502","","","0.7109","Synchrotron","","0.047","0.0442","","","0.1316","0.1349","","","","","","1.068","","","","has coordinates","152787","2020-10-21","18:00:00",""
"4513037","9.505","0.0019","18.014","0.004","11.178","0.002","90","","106.04","0.03","90","","1839.4","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu N2 O6 -","- C18 H22 Cu N2 O6 -","- C72 H88 Cu4 N8 O24 -","4","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Modulating Porosity through Conformer-Dependent Hydrogen Bonding in Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","7","3417","","10.1021/acs.cgd.5b00502","","","0.7109","Synchrotron","","0.0476","0.044","","","0.1098","0.1119","","","","","","1.075","","","","has coordinates","152787","2020-10-21","18:00:00",""
"4513038","19.824","0.004","17.458","0.004","14.066","0.003","90","","114.58","0.03","90","","4427","2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 Cu N3 O6.5 -","- C21 H27 Cu N3 O6.5 -","- C168 H216 Cu8 N24 O52 -","8","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Modulating Porosity through Conformer-Dependent Hydrogen Bonding in Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","7","3417","","10.1021/acs.cgd.5b00502","","","0.7109","Synchrotron","","0.0672","0.0595","","","0.1722","0.1792","","","","","","1.032","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513039","15.794","0.005","41.582","0.005","17.323","0.005","90","0.005","101.674","0.005","90","0.005","11141","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H139 Co2 Gd4 N5 O29 -","- C86 H139 Co2 Gd4 N5 O29 -","- C344 H556 Co8 Gd16 N20 O116 -","4","1","","Goura, Joydeb; Chakraborty, Amit; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Hexanuclear 3d‒4f Neutral CoII2LnIII4Clusters: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","7","3157","","10.1021/acs.cgd.5b00588","","","0.71069","MoKα","","0.0932","0.0715","","","0.1987","0.2232","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513040","15.791","0.005","21.888","0.005","17.177","0.005","90","0.005","99.201","0.005","90","0.005","5861","3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C84 H138 Co2 N4 O29 Tb4 -","- C84 H138 Co2 N4 O29 Tb4 -","- C168 H276 Co4 N8 O58 Tb8 -","2","0.5","","Goura, Joydeb; Chakraborty, Amit; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Hexanuclear 3d‒4f Neutral CoII2LnIII4Clusters: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","7","3157","","10.1021/acs.cgd.5b00588","","","0.71069","MoKα","","0.0789","0.049","","","0.1054","0.1174","","","","","","0.906","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513041","15.711","0.005","41.655","0.005","17.212","0.005","90","0.005","100.778","0.005","90","0.005","11066","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H138 Co2 Dy4 N4 O29 -","- C84 H138 Co2 Dy4 N4 O29 -","- C336 H552 Co8 Dy16 N16 O116 -","4","1","","Goura, Joydeb; Chakraborty, Amit; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Hexanuclear 3d‒4f Neutral CoII2LnIII4Clusters: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","7","3157","","10.1021/acs.cgd.5b00588","","","0.71069","MoKα","","0.1058","0.0839","","","0.1764","0.1838","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513042","3.6371","0.0011","36.541","0.011","6.564","0.002","90","","94.998","0.003","90","","869.1","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2(Pyrazinamide).(4-nitrobenzoic acid)","","- C17 H15 N7 O6 -","- C17 H15 N7 O6 -","- C34 H30 N14 O12 -","2","1","","Abourahma, Heba; Shah, Dhaval D.; Melendez, Jesus; Johnson, Elizabeth J.; Holman, K. Travis","A Tale of Two Stoichiometrically Diverse Cocrystals","Crystal Growth & Design","2015","15","7","3101","","10.1021/acs.cgd.5b00357","","x-ray","0.71073","MoKα","","0.045","0.0388","","","0.084","0.0921","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513046","25.482","0.007","12.452","0.004","16.03","0.005","90","","103.144","0.006","90","","4953","3","496","2","496","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H100 N4 O16 Zn4 -","- C116 H100 N4 O16 Zn4 -","- C232 H200 N8 O32 Zn8 -","2","0.5","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.0796","0.0634","","","0.1601","0.167","","","","","","1.087","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513047","25.8026","0.0013","12.3472","0.0005","15.9123","0.0007","90","","105.476","0.002","90","","4885.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H96 F4 N4 O16 Zn4 -","- C116 H96 F4 N4 O16 Zn4 -","- C232 H192 F8 N8 O32 Zn8 -","2","0.5","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.0659","0.0419","","","0.0902","0.098","","","","","","1.027","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513048","25.8026","0.0013","12.3472","0.0005","15.9123","0.0007","90","","105.476","0.002","90","","4885.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 F2 N2 O8 Zn2 -","- C58 H48 F2 N2 O8 Zn2 -","- C232 H192 F8 N8 O32 Zn8 -","4","1","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.066","0.042","","","0.085","0.0915","","","","","","1.095","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513049","25.635","0.007","12.264","0.003","16.391","0.004","90","","104.731","0.004","90","","4984","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 F2 N2 O8 Zn2 -","- C58 H48 F2 N2 O8 Zn2 -","- C232 H192 F8 N8 O32 Zn8 -","4","1","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.0659","0.0467","","","0.1068","0.1144","","","","","","1.027","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513050","25.435","0.007","12.468","0.004","16.225","0.005","90","","102.559","0.007","90","","5022","3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H50 N2 O8 Zn2 -","- C58 H50 N2 O8 Zn2 -","- C232 H200 N8 O32 Zn8 -","4","1","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.0592","0.0444","","","0.111","0.1177","","","","","","1.051","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513051","10.8946","0.0004","13.5002","0.0005","15.8851","0.0006","91.327","0.002","90.019","0.002","90.977","0.002","2335.4","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C70 . 2 (C6Br6) . C7H8","","","- C83 H8 Br6 -","- C83 H8 Br6 -","- C166 H16 Br12 -","2","1","","Ghiassi, Kamran B.; Wescott, Joseph; Chen, Susanne Y.; Balch, Alan L.; Olmstead, Marilyn M.","Waves of Halogen‒Halogen Bond Formation in the Cocrystallization of Hexabromobenzene and 1,2,4,5-Tetrabromobenzene with C70","Crystal Growth & Design","2015","15","5","2480","","10.1021/acs.cgd.5b00256","","","0.7749","synchrotron","","0.0509","0.0359","","","0.0977","0.105","","","","","","1.019","","","","has coordinates","137766","2020-10-21","18:00:00",""
"4513052","10.1941","0.0011","13.0528","0.0013","34.839","0.004","92.7676","0.0015","91.2288","0.0015","93.6104","0.0015","4619.7","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C70 . C6Br6 . C6H6","","","- C82 H6 Br6 -","- C82 H6 Br6 -","- C328 H24 Br24 -","4","2","","Ghiassi, Kamran B.; Wescott, Joseph; Chen, Susanne Y.; Balch, Alan L.; Olmstead, Marilyn M.","Waves of Halogen‒Halogen Bond Formation in the Cocrystallization of Hexabromobenzene and 1,2,4,5-Tetrabromobenzene with C70","Crystal Growth & Design","2015","15","5","2480","","10.1021/acs.cgd.5b00256","","","0.7749","synchroton","","0.0776","0.0591","","","0.1648","0.1779","","","","","","1.018","","","","has coordinates,has disorder","137766","2020-10-21","18:00:00",""
"4513053","10.62","0.007","22.401","0.014","10.652","0.007","90","","92.62","0.009","90","","2531","3","90","2","90","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","C70 . 2 C6H2Br4 . CS2","","","- C83 H4 Br8 S2 -","- C83 H4 Br8 S2 -","- C166 H8 Br16 S4 -","2","0.5","","Ghiassi, Kamran B.; Wescott, Joseph; Chen, Susanne Y.; Balch, Alan L.; Olmstead, Marilyn M.","Waves of Halogen‒Halogen Bond Formation in the Cocrystallization of Hexabromobenzene and 1,2,4,5-Tetrabromobenzene with C70","Crystal Growth & Design","2015","15","5","2480","","10.1021/acs.cgd.5b00256","","","0.71073","MoKα","","0.0646","0.0524","","","0.1306","0.1367","","","","","","1.076","","","","has coordinates","137766","2020-10-21","18:00:00",""
"4513054","10.2006","0.0012","13.4104","0.0016","9.2068","0.0011","90","","92.497","0.002","90","","1258.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","b-mCyPU","1,3-bis(m-cyanophenyl)urea","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.0937","0.0451","","","0.087","0.0959","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513055","14.978","0.002","10.0785","0.0014","18.541","0.003","90","","103.338","0.001","90","","2723.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-biscyano diphenyl urea/TPPO","","","- C33 H25 N4 O2 P -","- C33 H25 N4 O2 P -","- C132 H100 N16 O8 P4 -","4","1","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.0472","0.0418","","","0.1285","0.1321","","","","","","1.166","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513056","8.1587","0.0009","14.4326","0.0015","10.5651","0.0011","90","","90.124","0.001","90","","1244.1","0.2","100","","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","e-mCyPU","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","0.5","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.0349","0.033","","","0.089","0.0907","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513057","5.021","0.004","15.393","0.011","8.631","0.006","90","","95.052","0.009","90","","664.5","0.8","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","mCyPU-H2O-II","N,N'-bis(3-Cyanophenyl)urea monohydrate","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.1892","0.0704","","","0.1318","0.1806","","","","","","0.947","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513058","4.7645","0.0009","30.785","0.006","8.76","0.0017","90","","91.94","0.002","90","","1284.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","g-mCyPU","1,3-bis(m-cyanophenyl)urea","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.0661","0.0453","","","0.1119","0.1285","","","","","","1.136","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513059","16.98325","0.00054","8.4671","0.00024","7.93214","0.0002","90","","90","","90","","1140.63","0.06","298","","298","","","","","","","","","4","P c c a","-P 2a 2ac","54","","catena-(bis(3,5-dimethyl-4-pyrazolato)methane)-cd(ii)","","- C11 H14 Cd N4 -","- C11 H14 Cd N4 -","- C44 H56 Cd4 N16 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513060","9.57055","0.0007","14.5579","0.0014","7.11071","0.0006","90","","118.259","0.0035","90","","872.64","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-(bis(4-pyrazolato)methane)-zn(ii)","","- C7 H6 N4 Zn -","- C7 H6 N4 Zn -","- C28 H24 N16 Zn4 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137776","2020-10-21","18:00:00",""
"4513061","8.89432","0.00075","12.1851","0.0017","7.28369","0.00091","90","","90","","90","","789.39","0.16","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","catena-(bis(4-pyrazolato)methane)-cu(ii)","","- C7 H6 Cu N4 -","- C7 H6 Cu N4 -","- C28 H24 Cu4 N16 -","4","0.25","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","204123","2020-10-21","18:00:00",""
"4513062","14.77452","0.00098","15.246","0.0011","9.30985","0.00069","90","","79.5039","0.0058","90","","2062","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","catena-(bis(4-pyrazolato)methane)-cd(ii)","","- C14 H12 Cd2 N8 -","- C14 H12 Cd2 N8 -","- C56 H48 Cd8 N32 -","4","1","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137778","2020-10-21","18:00:00",""
"4513063","17.9734","0.00043","17.21788","0.0004","7.95298","0.00035","90","","90","","90","","2461.16","0.14","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-(bis(3,5-dimethyl-4-pyrazolato)methane)-bis-cu(i)","","- C11 H14 Cu2 N4 -","- C11 H14 Cu2 N4 -","- C88 H112 Cu16 N32 -","8","1","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137779","2020-10-21","18:00:00",""
"4513064","9.57312","0.00071","14.3834","0.0011","7.0945","0.00052","90","","117.792","0.0038","90","","864.18","0.12","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-(bis(4-pyrazolato)methane)-co(ii)","","- C7 H6 Co N4 -","- C7 H6 Co N4 -","- C28 H24 Co4 N16 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137780","2020-10-21","18:00:00",""
"4513065","15.21594","0.0004","9.06114","0.00031","7.75331","0.00024","90","","90","","90","","1068.98","0.06","298","","298","","","","","","","","","4","P c c 2","P 2 -2c","27","","catena-1,4-bis-4'-(3',5'-dimethyl-pyrazolato)biphenyl-cd(ii)","","- C22 H20 Cd N4 -","- C22 H20 Cd N4 O2 -","- C44 H40 Cd2 N8 O4 -","2","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513066","18.60188","0.00063","18.60188","0.00063","7.27449","0.00048","90","","90","","90","","2517.2","0.2","298","","298","","","","","","","","","4","P 42/n n m","-P 4ac 2bc","134","","catena-1,4-bis-4'-(3',5'-dimethyl)-pyrazolato-benzene-co(ii)","","- C16 H16 Co N4 -","- C16 H16 Co N4 -","- C64 H64 Co4 N16 -","4","","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513067","9.25232","0.00063","9.25232","0.00063","13.4487","0.0012","90","","90","","90","","1151.28","0.15","298","","298","","","","","","","","","4","P 41 2 2","P 4w 2c","91","","catena-(bis(3,5-dimethyl-4-pyrazolato)methane)-co(ii)","","- C11 H14 Co N4 -","- C11 H14 Co N4 -","- C44 H56 Co4 N16 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513068","8.594","0.0008","8.594","0.0008","12.4441","0.0005","90","","90","","120","","795.95","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 62 2 2","P 62 2 (0 0 4)","180","","Poly{ammonium[bis(mu-oxalato-k2O,O':k2O'',O''')scandate(III)]}","","- C4 H4 N O8 Sc -","- C4 H4 N O8 Sc -","- C12 H12 N3 O24 Sc3 -","3","0.25","","Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Wright, Paul A.; Sneddon, Scott; Ashbrook, Sharon E.","Exploiting Synthetic Conditions to Promote Structural Diversity within the Scandium(III)/Pyrimidine-4,6-dicarboxylate System","Crystal Growth & Design","2015","15","5","2352","","10.1021/acs.cgd.5b00154","","","0.71073","MoKα","","0.1142","0.1106","","","0.3226","0.3258","","","","","","1.147","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513069","10.1762","0.001","10.6463","0.0008","13.0417","0.0009","108.469","0.007","102.963","0.008","107.069","0.008","1200.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole-2,5-Dihydroxybenzoic acid","Clotrimazole-2,5-Dihydroxybenzoic acid","","- C29 H23 Cl N2 O4 -","- C29 H23 Cl N2 O4 -","- C58 H46 Cl2 N4 O8 -","2","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.0775","0.0504","","","0.1116","0.1251","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513070","12.4974","0.0017","14.527","0.002","17.789","0.002","90","","96.028","0.002","90","","3211.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Clotrimazole-Caffeic acid-anisole","Clotrimazole-Caffeic acid-anisole","","- C39 H32 Cl N2 O5 -","- C39 H32 Cl N2 O5 -","- C156 H128 Cl4 N8 O20 -","4","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.084","0.0754","","","0.2285","0.2375","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513071","8.73","0.0009","9.6543","0.0009","13.2542","0.0013","74.48","0.009","84.281","0.008","85.466","0.008","1069.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole-Adipic acid","Clotrimazole-Adipic acid","","- C25 H22 Cl N2 O2 -","- C25 H22 Cl N2 O2 -","- C50 H44 Cl2 N4 O4 -","2","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.199","0.0585","","","0.0641","0.0831","","","","","","0.776","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4513072","12.0214","0.0014","13.8128","0.0016","15.9926","0.0018","90","","97.934","0.002","90","","2630.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Clotrimazole-2,4,6-Trihydroxybenzoic acid","Clotrimazole-2,4,6-Trihydroxybenzoic acid","","- C29 H23 Cl N2 O5 -","- C29 H23 Cl N2 O5 -","- C116 H92 Cl4 N8 O20 -","4","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.1542","0.0827","","","0.1378","0.1615","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513073","6.2423","0.0002","11.5747","0.0003","12.7785","0.0004","90","","101.78","0.003","90","","903.84","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C33 Polymorph I","","","- C9 H7 N S2 -","- C9 H7 N S2 -","- C36 H28 N4 S8 -","4","1","","Carletta, Andrea; Meinguet, Céline; Wouters, Johan; Tilborg, Anaëlle","Solid-State Investigation of Polymorphism and Tautomerism of Phenylthiazole-thione: A Combined Crystallographic, Calorimetric, and Theoretical Survey","Crystal Growth & Design","2015","15","5","2461","","10.1021/acs.cgd.5b00237","","","1.54184","CuKα","","0.0307","0.0276","","","0.0735","0.0767","","","","","","1.062","","","","has coordinates","137789","2020-10-21","18:00:00",""
"4513074","34.675","0.003","34.675","0.003","4.095","0.0004","90","","90","","120","","4264","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H7 N S2 -","- C9 H7 N S2 -","- C162 H126 N18 S36 -","18","1","","Carletta, Andrea; Meinguet, Céline; Wouters, Johan; Tilborg, Anaëlle","Solid-State Investigation of Polymorphism and Tautomerism of Phenylthiazole-thione: A Combined Crystallographic, Calorimetric, and Theoretical Survey","Crystal Growth & Design","2015","15","5","2461","","10.1021/acs.cgd.5b00237","","","0.71073","MoKα","","0.0637","0.046","","","0.1282","0.1408","","","","","","0.964","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513075","8.3797","0.0003","10.5524","0.0003","13.0609","0.0004","81.4929","0.0012","84.0073","0.0013","75.1622","0.0012","1101.45","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N5 S -","- C12 H8 N5 S -","- C48 H32 N20 S4 -","4","2","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0575","0.0412","","","0.1024","0.1116","","","","","","1.015","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513076","11.384","0.0006","10.7358","0.0006","17.9318","0.0009","90","","98.461","0.003","90","","2167.7","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N6 S6 -","- C20 H12 N6 S6 -","- C80 H48 N24 S24 -","4","1","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0938","0.0462","","","0.0996","0.1146","","","","","","1.024","","","","has coordinates,has disorder","137792","2020-10-21","18:00:00",""
"4513077","9.3997","0.0012","4.2844","0.0005","14.2053","0.0016","90","","91.627","0.004","90","","571.85","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H7 N3 O S3 -","- C10 H7 N3 O S3 -","- C20 H14 N6 O2 S6 -","2","1","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0616","0.0419","","","0.0841","0.0925","","","","","","1.089","","","","has coordinates,has disorder","137793","2020-10-21","18:00:00",""
"4513078","6.4045","0.0003","7.617","0.0004","12.4324","0.0006","82.682","0.002","82.181","0.002","76.697","0.002","581.82","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 N5 O S -","- C12 H9 N5 O S -","- C24 H18 N10 O2 S2 -","2","1","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0785","0.0575","","","0.1618","0.1751","","","","","","1.06","","","","has coordinates","137794","2020-10-21","18:00:00",""
"4513079","9.9574","0.0003","12.1849","0.0003","16.3791","0.0004","110.482","0.0016","92.7861","0.0017","97.4104","0.0017","1836.67","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Br5 N12 S2 -","- C31 H27 Br5 N12 S2 -","- C62 H54 Br10 N24 S4 -","2","1","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0652","0.0347","","","0.0721","0.0805","","","","","","1.008","","","","has coordinates","137795","2020-10-21","18:00:00",""
"4513080","13.5657","0.0003","7.7176","0.0002","17.8819","0.0004","90","","100.79","0.0015","90","","1839.04","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br10 N10 S2 -","- C24 H20 Br10 N10 S2 -","- C48 H40 Br20 N20 S4 -","2","0.5","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0653","0.0388","","","0.0957","0.108","","","","","","1.024","","","","has coordinates","137796","2020-10-21","18:00:00",""
"4513081","9.424","0.002","10.634","0.002","9.4807","0.0018","90","","98.611","0.016","90","","939.4","0.3","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Li2 N4 O4 -","- C16 H22 Li2 N4 O4 -","- C32 H44 Li4 N8 O8 -","2","1","","Shimazu, Matthew S.; Zhao, Xiang; Huynh, Duc Minh; Bu, Xianhui","Charge-Complementary-Ligands Directed Assembly of a Lithium Dimer into a Three-Dimensional Porous Framework","Crystal Growth & Design","2015","15","5","2550","","10.1021/acs.cgd.5b00358","","","0.71073","MoKα","","0.1795","0.0733","","","0.1364","0.1762","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513082","7.1555","0.0002","12.4238","0.0003","11.7575","0.0003","90","","91.782","0.001","90","","1044.72","0.05","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Li2 N2 O6 -","- C18 H24 Li2 N2 O6 -","- C36 H48 Li4 N4 O12 -","2","0.5","","Shimazu, Matthew S.; Zhao, Xiang; Huynh, Duc Minh; Bu, Xianhui","Charge-Complementary-Ligands Directed Assembly of a Lithium Dimer into a Three-Dimensional Porous Framework","Crystal Growth & Design","2015","15","5","2550","","10.1021/acs.cgd.5b00358","","","0.71073","MoKα","","0.0656","0.0546","","","0.1569","0.1671","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513083","5.5668","0.0009","9.7862","0.0017","11.706","0.002","90","","90","","90","","637.72","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9.83 N1.83 O4.17 -","- C4 H9.834 N1.834 O4.166 -","- C16 H39.336 N7.336 O16.664 -","4","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0284","0.0268","","","0.0702","0.0711","","","","","","1.101","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513084","5.5668","0.0009","11.706","0.002","9.7862","0.0017","90","","90.323","0.008","90","","637.71","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.65 N3.65 O8.35 -","- C8 H19.652 N3.652 O8.348 -","- C16 H39.304 N7.304 O16.696 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.032","0.0292","","","0.0736","0.0752","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513085","5.5668","0.0009","9.7862","0.0017","11.706","0.002","90","","90.12","0.008","90","","637.72","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.63 N3.63 O8.37 -","- C8 H19.633 N3.633 O8.367 -","- C16 H39.266 N7.266 O16.734 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0326","0.0296","","","0.074","0.0759","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513086","9.7862","0.0017","5.5668","0.0009","11.706","0.002","90","","90.048","0.009","90","","637.72","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H9.82 N1.82 O4.18 -","- C4 H9.8185 N1.8185 O4.1815 -","- C16 H39.274 N7.274 O16.726 -","4","2","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0334","0.0306","","","0.077","0.0788","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513087","5.5668","0.0009","9.7862","0.0017","11.706","0.002","90.048","0.009","90.12","0.008","90.323","0.008","637.71","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C4 H9.83 N1.83 O4.17 -","- C4 H9.8265 N1.8265 O4.1735 -","- C16 H39.306 N7.306 O16.694 -","4","4","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0372","0.0323","","","0.0792","0.0822","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513088","9.779","0.002","11.699","0.002","5.5675","0.0012","90","","90","","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9.82 N1.82 O4.18 -","- C4 H9.823 N1.823 O4.177 -","- C16 H39.292 N7.292 O16.708 -","4","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0343","0.0328","","","0.0829","0.0838","","","","","","1.142","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513089","5.5675","0.0012","9.779","0.002","11.699","0.002","90","","90.234","0.01","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.66 N3.66 O8.34 -","- C8 H19.652 N3.652 O8.348 -","- C16 H39.304 N7.304 O16.696 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0323","0.0295","","","0.074","0.0756","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513090","5.5675","0.0012","11.699","0.002","9.779","0.002","90","","90.215","0.01","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.63 N3.63 O8.37 -","- C8 H19.63 N3.63 O8.37 -","- C16 H39.26 N7.26 O16.74 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0391","0.0363","","","0.0871","0.0889","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513091","9.779","0.002","5.5675","0.0012","11.699","0.002","90","","90.078","0.011","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.64 N3.64 O8.36 -","- C8 H19.644 N3.644 O8.356 -","- C16 H39.288 N7.288 O16.712 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0391","0.0362","","","0.0866","0.0885","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513092","5.5675","0.0012","9.779","0.002","11.699","0.002","90.078","0.011","90.234","0.01","90.215","0.01","636.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H39.27 N7.27 O16.73 -","- C16 H39.271 N7.271 O16.729 -","- C16 H39.271 N7.271 O16.729 -","1","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0362","0.0318","","","0.076","0.0788","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513093","8.1559","0.0011","11.6473","0.0011","14.3976","0.0016","110.607","0.002","101.531","0.002","93.725","0.001","1240.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 N4 O12 S2 Y -","- C21 H20 N4 O12 S2 Y -","- C42 H40 N8 O24 S4 Y2 -","2","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0808","0.0525","","","0.1067","0.122","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513094","9.6057","0.0012","22.766","0.003","11.7677","0.0015","90","","107.889","0.002","90","","2449","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N4 O11 S2 Y -","- C22 H14 N4 O11 S2 Y -","- C88 H56 N16 O44 S8 Y4 -","4","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0546","0.0442","","","0.1162","0.1242","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513095","12.8827","0.0009","8.2194","0.0006","23.9494","0.0016","90","","103.971","0.001","90","","2460.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 N4 O11 Pr S2 -","- C21 H11 N4 O11 Pr S2 -","- C84 H44 N16 O44 Pr4 S8 -","4","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.037","0.0304","","","0.0692","0.0725","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513096","10.49","0.002","7.0119","0.0015","30.571","0.006","90","","96.552","0.003","90","","2234","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Ho2 N8 O20 S4 -","- C38 H30 Ho2 N8 O20 S4 -","- C76 H60 Ho4 N16 O40 S8 -","2","0.5","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0431","0.0389","","","0.0931","0.0957","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513097","10.4411","0.0008","6.9518","0.0006","30.305","0.002","90","","96.522","0.001","90","","2185.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H68 Er4 N16 O40 S8 -","- C76 H68 Er4 N16 O40 S8 -","- C76 H68 Er4 N16 O40 S8 -","1","0.25","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0354","0.0292","","","0.0613","0.0638","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513098","22.0274","0.0016","16.079","0.0016","15.3889","0.0012","90","","119.859","0.001","90","","4726.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 N8 O22 S4 Sm2 -","- C43 H34 N8 O22 S4 Sm2 -","- C172 H136 N32 O88 S16 Sm8 -","4","0.5","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0234","0.0212","","","0.0518","0.0531","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513099","22.1467","0.0018","16.1377","0.0013","15.4746","0.0013","90","","119.76","0.001","90","","4801.2","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H19 N4 O11 Pr S2 -","- C21.5 H19 N4 O11 Pr S2 -","- C172 H152 N32 O88 Pr8 S16 -","8","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0333","0.0273","","","0.0641","0.0674","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513100","9.7714","0.0008","22.9583","0.0017","11.5707","0.0009","90","","106.36","0.001","90","","2490.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 La N4 O11 S2 -","- C22 H18 La N4 O11 S2 -","- C88 H72 La4 N16 O44 S8 -","4","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0385","0.0346","","","0.1206","0.1257","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513101","10.4285","0.0009","6.9527","0.0005","30.258","0.002","90","","96.426","0.001","90","","2180.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Dy N4 O10 S2 -","- C19 H17 Dy N4 O10 S2 -","- C76 H68 Dy4 N16 O40 S8 -","4","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0301","0.0252","","","0.0502","0.0523","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513102","6.589","0.003","7.514","0.003","9.181","0.004","66.435","0.005","82.25","0.006","79.808","0.006","409","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene Iodine","","- C10 H8 I4 N4 -","- C10 H8 I4 N4 -","- C10 H8 I4 N4 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0357","0.0332","","","0.0855","0.0876","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513103","6.6042","0.0011","8.0953","0.0014","13.127","0.002","106.487","0.003","98.862","0.003","95.887","0.003","656.95","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene 3,5-dinitrobenzamide","","- C24 H18 N10 O10 -","- C24 H18 N10 O10 -","- C24 H18 N10 O10 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0597","0.0433","","","0.1223","0.1278","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513104","9.749","0.004","7.643","0.003","13.372","0.005","90","","109.464","0.005","90","","939.4","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(pyridin-4-yl)diazene 1,2,4,5-benzenetetracarboxylic acid","","- C20 H14 N4 O8 -","- C20 H14 N4 O8 -","- C40 H28 N8 O16 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0718","0.0669","","","0.1662","0.1708","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513105","15.236","0.006","5.0195","0.0016","11.782","0.004","90","","112.679","0.005","90","","831.4","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(pyridine-4-yl)diazene 1,2,4,5-tetrafluoro-3,6-dibromdobenzene","","- C16 H8 Br2 F4 N4 -","- C16 H8 Br2 F4 N4 -","- C32 H16 Br4 F8 N8 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0603","0.0458","","","0.1062","0.1113","","","","","","0.948","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513106","8.059","0.004","9.776","0.004","10.885","0.004","94.425","0.005","106.298","0.005","113.321","0.006","738.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene Resorcinol","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.108","0.087","","","0.2343","0.246","","","","","","1.519","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513107","4.6825","0.0011","6.799","0.0015","23.173","0.005","90","","101.429","0.006","90","","723.1","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1,2-di(pyridine-4-yl)diazene caynuric acid","","- C13 H11 N7 O3 -","- C13 H11 N7 O3 -","- C26 H22 N14 O6 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.1695","0.1158","","","0.2761","0.2973","","","","","","1.507","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513108","6.414","0.004","8.358","0.005","9.202","0.006","82.982","0.009","70.979","0.009","78.678","0.009","456.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H8 F4 I2 N4 -","- C16 H8 F4 I2 N4 -","- C16 H8 F4 I2 N4 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0368","0.0353","","","0.0946","0.0964","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513109","10.05","0.02","9.71","0.02","9","0.02","90","","100.22","0.04","90","","864","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(pyridine-4-yl)diazene 1,4-diiodotetrafluorobenzene","","- C16 H12 I2 N4 -","- C16 H12 I2 N4 -","- C32 H24 I4 N8 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0709","0.0668","","","0.165","0.1699","","","","","","1.34","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513110","5.3105","0.001","8.8507","0.0017","11.98","0.002","92.264","0.003","94.826","0.003","90.157","0.003","560.64","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene 1,6-diiodoperfluorohexane","","- C18 H10 F12 I2 N2 -","- C18 H10 F12 I2 N2 -","- C18 H10 F12 I2 N2 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0263","0.0253","","","0.0766","0.0774","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513111","8.6756","0.0014","6.7322","0.0011","19.923","0.003","90","","103.444","0.006","90","","1131.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O6 -","- C24 H20 N4 O6 -","- C48 H40 N8 O12 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0841","0.0723","","","0.1879","0.1981","","","","","","1.318","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513112","8.7577","0.0006","6.8083","0.0005","19.6624","0.0016","90","","105.338","0.007","90","","1130.61","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C52 H44 N4 O12 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.094","0.0437","","","0.0937","0.1071","","","","","","0.939","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513113","80.349","0.01","20.033","0.002","40.226","0.005","90","","112.804","0.001","90","","59688","12","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C264 H362 Ag22 N4 O18 -","- C264 H362 Ag22 N4 O18 -","- C2112 H2896 Ag176 N32 O144 -","8","1","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.1355","0.082","","","0.2236","0.2687","","","","","","1.037","","","","has coordinates,has disorder","137827","2020-10-21","18:00:00",""
"4513114","21.6397","0.0016","41.645","0.003","41.752","0.003","90","","99.819","0.001","90","","37075","5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C320 H421 Ag21 O -","- C320 H421 Ag21 O -","- C1280 H1684 Ag84 O4 -","4","1","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.1195","0.0733","","","0.1832","0.2058","","","","","","1.034","","","","has coordinates,has disorder","137828","2020-10-21","18:00:00",""
"4513115","25.807","0.0009","25.807","0.0009","20.5657","0.001","90","","90","","90","","13696.8","0.9","150","2","150","2","","","","","","","","3","I -4","I -4","82","","","","- C256 H336 Ag16 -","- C256 H336 Ag16 -","- C512 H672 Ag32 -","2","0.25","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.0912","0.0681","","","0.1889","0.2105","","","","","","1.041","","","","has coordinates,has disorder","137829","2020-10-21","18:00:00",""
"4513116","9.8182","0.0002","6.8037","0.0001","14.4194","0.001","90","","91.927","0.007","90","","962.67","0.07","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N16 O12 -","- C10 H6 N16 O12 -","- C20 H12 N32 O24 -","2","0.5","","Bennion, Jonathan C.; McBain, Andrew; Son, Steven F.; Matzger, Adam J.","Design and Synthesis of a Series of Nitrogen-Rich Energetic Cocrystals of 5,5′-Dinitro-2H,2H′-3,3′-bi-1,2,4-triazole (DNBT)","Crystal Growth & Design","2015","15","5","2545","","10.1021/acs.cgd.5b00336","","","1.54178","CuKα","","0.0279","0.0268","","","0.0705","0.0713","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513117","9.6986","0.0002","7.2247","0.0001","11.4627","0.0008","90","","111.793","0.008","90","","745.78","0.07","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 N14 O8 -","- C8 H4 N14 O8 -","- C16 H8 N28 O16 -","2","0.5","","Bennion, Jonathan C.; McBain, Andrew; Son, Steven F.; Matzger, Adam J.","Design and Synthesis of a Series of Nitrogen-Rich Energetic Cocrystals of 5,5′-Dinitro-2H,2H′-3,3′-bi-1,2,4-triazole (DNBT)","Crystal Growth & Design","2015","15","5","2545","","10.1021/acs.cgd.5b00336","","","1.54178","CuKα","","0.0496","0.0434","","","0.0907","0.0963","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513118","7.5387","0.0002","7.8716","0.0002","7.9743","0.0006","75.469","0.005","76.759","0.005","73.514","0.005","432.84","0.04","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N18 O8 -","- C8 H8 N18 O8 -","- C8 H8 N18 O8 -","1","0.5","","Bennion, Jonathan C.; McBain, Andrew; Son, Steven F.; Matzger, Adam J.","Design and Synthesis of a Series of Nitrogen-Rich Energetic Cocrystals of 5,5′-Dinitro-2H,2H′-3,3′-bi-1,2,4-triazole (DNBT)","Crystal Growth & Design","2015","15","5","2545","","10.1021/acs.cgd.5b00336","","","1.54178","CuKα","","0.0438","0.0397","","","0.1123","0.1177","","","","","","1.116","","","","has coordinates","137832","2020-10-21","18:00:00",""
"4513119","9.5065","0.0008","9.5969","0.0008","11.3468","0.0009","101.917","0.001","108.179","0.001","95.805","0.001","946.95","0.14","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0712","0.0592","","","0.1528","0.1628","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513120","9.3609","0.001","10.1496","0.0011","10.7978","0.0012","70.359","0.001","81.101","0.001","63.085","0.001","861.54","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0615","0.0536","","","0.1601","0.1721","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513121","9.9458","0.0014","10.052","0.0014","10.5202","0.0015","78.222","0.002","68.714","0.002","81.881","0.002","956.8","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0557","0.045","","","0.1163","0.1252","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513122","9.1569","0.001","9.3909","0.001","28.384","0.003","90","","90","","90","","2440.8","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O4 -","- C28 H33 N O4 -","- C112 H132 N4 O16 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.1001","0.0456","","","0.0987","0.1283","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513123","8.3291","0.0007","9.2616","0.0008","24.507","0.002","90","","90","","90","","1890.5","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0507","0.0387","","","0.0966","0.1116","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513124","9.8643","0.0006","10.0722","0.0006","10.5475","0.0006","68.919","0.001","68.608","0.001","72.85","0.001","894.14","0.09","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C42 H42 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0473","0.0416","","","0.1139","0.1203","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513125","9.4778","0.0008","9.5824","0.0008","21.3616","0.0017","90","","95.225","0.001","90","","1932","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.06","0.0415","","","0.1035","0.1163","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513126","9.6906","0.0007","10.3503","0.0008","11.2066","0.0008","75.711","0.001","69.995","0.001","85.147","0.001","1023.53","0.13","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C46 H50 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0554","0.0422","","","0.1133","0.1219","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513127","18.398","0.0011","13.5344","0.0008","18.976","0.0011","90","","108.007","0.001","90","","4493.7","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C216 H200 N8 O32 -","8","2","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0552","0.0406","","","0.1005","0.1094","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513128","6.3637","0.0005","12.4181","0.0009","14.4825","0.001","82.365","0.001","86.136","0.001","81.029","0.001","1119.18","0.14","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C54 H50 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0515","0.0413","","","0.1163","0.1306","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513129","8.5645","0.0008","10.2223","0.001","10.7797","0.0018","101.49","0.001","100.221","0.001","113.901","0.001","809.67","0.17","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0496","0.0442","","","0.1263","0.1322","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513130","25.558","0.002","5.7536","0.0006","18.2559","0.0018","90","","125.043","0.001","90","","2197.9","0.4","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0428","0.0363","","","0.0971","0.1023","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513131","16.919","0.003","19.726","0.004","18.066","0.004","90","","92.01","0.03","90","","6026","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H152 Fe6 N4 O38 Y2 -","- C82 H152 Fe6 N4 O38 Y2 -","- C164 H304 Fe12 N8 O76 Y4 -","2","0.5","","Han, Song-De; Liu, Sui-Jun; Wang, Qing-Lun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Synthesis and Magnetic Properties of a Series of Octanuclear [Fe6Ln2] Nanoclusters","Crystal Growth & Design","2015","15","5","2253","","10.1021/acs.cgd.5b00024","","","0.71073","MoKα","","0.1434","0.0823","","","0.1842","0.2133","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513132","16.827","0.003","19.675","0.004","17.994","0.004","90","","92.11","0.03","90","","5953","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H152 Fe6 Gd2 N4 O38 -","- C82 H152 Fe6 Gd2 N4 O38 -","- C164 H304 Fe12 Gd4 N8 O76 -","2","0.5","","Han, Song-De; Liu, Sui-Jun; Wang, Qing-Lun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Synthesis and Magnetic Properties of a Series of Octanuclear [Fe6Ln2] Nanoclusters","Crystal Growth & Design","2015","15","5","2253","","10.1021/acs.cgd.5b00024","","","0.71073","MoKα","","0.0636","0.0488","","","0.118","0.1253","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513133","16.853","0.003","19.704","0.004","18.042","0.004","90","","92.08","0.03","90","","5987","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H152 Dy2 Fe6 N4 O38 -","- C82 H152 Dy2 Fe6 N4 O38 -","- C164 H304 Dy4 Fe12 N8 O76 -","2","0.5","","Han, Song-De; Liu, Sui-Jun; Wang, Qing-Lun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Synthesis and Magnetic Properties of a Series of Octanuclear [Fe6Ln2] Nanoclusters","Crystal Growth & Design","2015","15","5","2253","","10.1021/acs.cgd.5b00024","","","0.71073","MoKα","","0.0728","0.0549","","","0.1236","0.131","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513134","16.929","0.003","19.741","0.004","18.083","0.004","90","","92.02","0.03","90","","6039","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H154 Fe6 N4 O38 Tb2 -","- C82 H154 Fe6 N4 O38 Tb2 -","- C164 H308 Fe12 N8 O76 Tb4 -","2","0.5","","Han, Song-De; Liu, Sui-Jun; Wang, Qing-Lun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Synthesis and Magnetic Properties of a Series of Octanuclear [Fe6Ln2] Nanoclusters","Crystal Growth & Design","2015","15","5","2253","","10.1021/acs.cgd.5b00024","","","0.71073","MoKα","","0.0887","0.0603","","","0.1283","0.1396","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513135","16.651","0.0016","9.5153","0.0007","18.0362","0.0013","90","","99.587","0.007","90","","2817.7","0.4","95","2","95","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","2","","Pfund, Laura Y.; Chamberlin, Brianna L.; Matzger, Adam J.","The Bioenhancer Piperine is at Least Trimorphic","Crystal Growth & Design","2015","15","5","2047","","10.1021/acs.cgd.5b00278","","","1.54187","CuKα","","0.0859","0.0588","","","0.1515","0.206","","","","","","1.2","","","","has coordinates","137835","2020-10-21","18:00:00",""
"4513136","13.7193","0.0004","51.6467","0.002","7.43071","0.0002","90","","90","","90","","5265.1","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","benperidol benzyl alcohol solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one benzyl alcohol solvate","","- C29 H32 F N3 O3 -","- C29 H32 F N3 O3 -","- C232 H256 F8 N24 O24 -","8","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","powder diffraction","","1.54184","CuKα","","0.0787","","","","","","","","4.57","","","","","","","has coordinates","137836","2020-10-21","18:00:00",""
"4513137","5.565","0.0001","14.1256","0.0004","15.0478","0.0005","109.258","0.0013","90.9875","0.0013","100.071","0.002","1095.92","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","benperidol acetonitrile solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one acetonitrile solvate","","- C24 H27 F N4 O2 -","- C24 H27 F N4 O2 -","- C48 H54 F2 N8 O4 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.0696","0.046","","","0.1001","0.1126","","","","","","1.018","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513138","5.4228","0.0003","14.6014","0.0008","14.8045","0.001","109.936","0.003","90.199","0.002","100.322","0.003","1081.5","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","benperidol ethyl acetate solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one ethyl acetate solvate","","- C24 H28 F N3 O3 -","- C24 H28 F N3 O3 -","- C48 H56 F2 N6 O6 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.113","0.0751","","","0.1734","0.1992","","","","","","1.03","","","","has coordinates","137838","2020-10-21","18:00:00",""
"4513139","11.0595","0.0003","9.3896","0.0002","20.4456","0.0006","90","","91.7206","0.0011","90","","2122.2","0.1","173","","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 F N3 O4 -","- C22 H28 F N3 O4 -","- C88 H112 F4 N12 O16 -","4","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71073","MoKα","","0.088","0.048","","0.297","0.196","0.196","","","1.36","1.243","1.243","1.219","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4513140","15.0684","0.0003","10.8602","0.0003","15.2555","0.0004","90","","117.635","0.0009","90","","2211.69","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","benperidol ethanol solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one ethanol solvate","","- C24 H30 F N3 O3 -","- C24 H30 F N3 O3 -","- C96 H120 F4 N12 O12 -","4","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.088","0.0543","","","0.124","0.1415","","","","","","1.028","","","","has coordinates","137840","2020-10-21","18:00:00",""
"4513141","36.7342","0.0007","5.58581","0.0001","23.6629","0.0005","90","","124.868","0.0008","90","","3983.71","0.14","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","benperidol hemihydrate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one hemihydrate","","- C22 H24 F N3 O2.5 -","- C22 H24 F N3 O2.5 -","- C176 H192 F8 N24 O20 -","8","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","powder diffraction","","1.54184","CuKα","","0.1203","","","","","","","","5.57","","","","","","","has coordinates","137841","2020-10-21","18:00:00",""
"4513142","15.1097","0.0004","10.72","0.0003","15.307","0.0005","90","","119.354","0.0013","90","","2161.04","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","benperidol methanol solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one methanol solvate","","- C23 H28 F N3 O3 -","- C23 H28 F N3 O3 -","- C92 H112 F4 N12 O12 -","4","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.1227","0.0644","","","0.164","0.1997","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513143","22.0954","0.0006","22.0954","0.0006","22.0954","0.0006","90","","90","","90","","10787.1","0.5","173","2","173","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C72 H72 B8 Cu6 N48 -","- C72 H72 B8 Cu6 N48 -","- C288 H288 B32 Cu24 N192 -","4","0.0416667","","Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian","Self-Assembly of Metal Boron Imidazolate Cages","Crystal Growth & Design","2015","15","5","2433","","10.1021/acs.cgd.5b00210","","","0.71073","MoKα","","0.1506","0.1083","","","0.3729","0.3998","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513144","18.9015","0.0002","18.9015","0.0002","31.6878","0.0006","90","","90","","90","","11321","0.3","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C216 H216 B8 Br Cu6 N48 O10 -","- C216 H168 B8 Br Cu6 N48 -","- C432 H336 B16 Br2 Cu12 N96 -","2","0.25","","Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian","Self-Assembly of Metal Boron Imidazolate Cages","Crystal Growth & Design","2015","15","5","2433","","10.1021/acs.cgd.5b00210","","","1.54178","CuKα","","0.1901","0.1245","","","0.3381","0.3768","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513145","20.1157","0.0005","20.1157","0.0005","59.6452","0.0018","90","","90","","120","","20901.5","1","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C72 H72 B8 Cu6 I3 N48 -","- C72 H72 B8 Cu6 I3 N48 -","- C432 H432 B48 Cu36 I18 N288 -","6","0.333333","","Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian","Self-Assembly of Metal Boron Imidazolate Cages","Crystal Growth & Design","2015","15","5","2433","","10.1021/acs.cgd.5b00210","","","0.71073","MoKα","","0.1054","0.0659","","","0.1516","0.1692","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513146","7.6219","0.0004","9.3173","0.0005","10.5299","0.0006","65.05","0.006","85.345","0.004","66.686","0.005","619.33","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cu2 N6 O -","- C24 H18 Cu2 N6 -","- C24 H18 Cu2 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0385","0.0336","","","0.0884","0.0912","","","","","","1.065","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513147","7.9934","0.0006","8.3301","0.0007","10.115","0.0007","109.748","0.007","97.865","0.006","99.444","0.006","611.76","0.09","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H18 Cu2 N6 -","- C30 H18 Cu2 N6 -","- C30 H18 Cu2 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0667","0.062","","","0.165","0.172","","","","","","1.125","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513148","7.7912","0.0005","9.5338","0.0007","9.9023","0.0004","93.423","0.005","95.079","0.004","111.742","0.006","677.12","0.08","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 Cu2 N6 -","- C34 H22 Cu2 N6 -","- C34 H22 Cu2 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0405","0.0378","","","0.1043","0.1069","","","","","","1.061","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513149","7.5063","0.0005","9.2925","0.0007","10.7697","0.0007","65.132","0.007","84.915","0.005","67.579","0.006","627.73","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","[Cu2(F4TCNQ)(2-picoline)2].MeCN","","","- C26 H17 Cu2 F4 N7 -","- C24 H14 Cu2 F4 N6 -","- C24 H14 Cu2 F4 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.034","0.03","","","0.0774","0.0791","","","","","","0.96","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513150","7.6593","0.0005","7.6693","0.0006","11.3462","0.0008","100.363","0.006","101.345","0.006","101.104","0.006","624.59","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","[Cu2(F4TCNQ)(2,6-lutidine)2]","","","- C26 H18 Cu2 F4 N6 -","- C26 H18 Cu2 F4 N6 -","- C26 H18 Cu2 F4 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0448","0.0375","","","0.0962","0.1008","","","","","","0.963","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513151","13.6794","0.0004","15.0604","0.0006","15.7902","0.0006","62.791","0.004","72.902","0.003","82.785","0.003","2765.1","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Cu2(F4TCNQ)(PPh3)3]","","","- C66 H45 Cu2 F4 N4 P3 -","- C66 H45 Cu2 F4 N4 P3 -","- C132 H90 Cu4 F8 N8 P6 -","2","1","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0425","0.031","","","0.0699","0.0742","","","","","","0.898","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513152","19.5393","0.0004","7.3878","0.0001","23.8021","0.0005","90","","96.295","0.002","90","","3415.17","0.11","130.01","0.1","130.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 Cu2 N10 -","- C42 H26 Cu2 N10 -","- C168 H104 Cu8 N40 -","4","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0906","0.0843","","","0.2778","0.2814","","","","","","1.153","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513153","7.5403","0.0003","9.5112","0.0004","11.6339","0.0006","75.108","0.004","82.444","0.004","76.994","0.003","783.24","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cu2 N8 O2 -","- C32 H20 Cu2 N8 O2 -","- C32 H20 Cu2 N8 O2 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0416","0.0401","","","0.1287","0.1305","","","","","","1.093","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513154","7.4366","0.0008","10.2836","0.0011","12.2532","0.0009","74.646","0.009","83.29","0.008","73.618","0.009","866.03","0.16","130","2","130","2","","","","","","","","5","P -1","-P 1","2","[Cu2(TCNQ)(phenanthroline)2].MeOH","","","- C37 H24 Cu2 N8 O -","- C37 H20 Cu2 N8 O -","- C37 H20 Cu2 N8 O -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0889","0.0851","","","0.2482","0.252","","","","","","1.116","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513155","25.521","0.004","9.907","0.0015","7.4027","0.0014","90","","90","","90","","1871.7","0.5","152.98","0.1","152.98","0.1","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H40 Cu2 N8 O2 -","- C36 H28 Cu2 N8 -","- C72 H56 Cu4 N16 -","2","0.25","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0895","0.0671","","","0.1806","0.2095","","","","","","1.064","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513156","18.6921","0.0004","23.369","0.0006","22.3956","0.0006","90","","101.899","0.003","90","","9572.5","0.4","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H120 Cu6 N28 -","- C80 H120.44 Cu6 N28 -","- C320 H481.76 Cu24 N112 -","4","1","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0592","0.0412","","","0.1046","0.1195","","","","","","1.016","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513157","7.5552","0.0006","10.3372","0.0009","10.6344","0.001","66.564","0.009","82.474","0.007","78.086","0.007","744.51","0.12","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Cu2(F4TCNQ)(quinoline)2].DMF","","","- C33 H21 Cu2 F4 N7 O -","- C30 H14 Cu2 F4 N6 -","- C30 H14 Cu2 F4 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0339","0.0306","","","0.0854","0.0884","","","","","","1.079","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513158","10.2839","0.0005","17.1644","0.0007","11.0355","0.0007","90","","102.989","0.005","90","","1898.11","0.17","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cu2 N8 -","- C40 H56 Cu2 N8 -","- C80 H112 Cu4 N16 -","2","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0392","0.0323","","","0.0847","0.0894","","","","","","1.041","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513159","20.4237","0.0006","10.9154","0.0002","32.375","0.0007","90","","100.928","0.002","90","","7086.6","0.3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu2(F4TCNQ)(PPh3)4]","","","- C84 H60 Cu2 F4 N4 P4 -","- C84 H60 Cu2 F4 N4 P4 -","- C336 H240 Cu8 F16 N16 P16 -","4","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","0.71073","MoKα","","0.0625","0.0536","","","0.1302","0.1335","","","","","","1.188","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513160","8.2544","0.0006","19.8024","0.0014","10.44","0.0007","90","","104.249","0.007","90","","1654","0.2","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cu2 N10 -","- C28 H38 Cu2 N10 -","- C56 H76 Cu4 N20 -","2","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0934","0.0715","","","0.1986","0.2149","","","","","","1.139","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513161","7.542","0.0015","13.738","0.003","16.532","0.003","90","","97.15","0.03","90","","1699.6","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cu2 N6 -","- C18 H12 Cu2 N6 -","- C72 H48 Cu8 N24 -","4","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","0.71073","Synchrotron","","0.0346","0.0337","","","0.0891","0.0896","","","","","","1.091","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513162","11.0071","0.0004","7.6667","0.0002","14.9346","0.0004","90","","103.846","0.003","90","","1223.68","0.07","250","0.1","250","0.1","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C34 H51 Cu2 N13 O8 -","- C20 H10 Cu2 N10 -","- C20 H10 Cu2 N10 -","1","0.25","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0456","0.0415","","","0.1257","0.1296","","","","","","1.046","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513163","16.446","0.005","7.763","0.005","13.69","0.005","90","","94.214","0.005","90","","1743.1","1.4","130","2","130","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C30 H32 Br2 Cu2 N6 O2 S2 -","- C30 H32 Br2 Cu2 N6 O2 S2 -","- C60 H64 Br4 Cu4 N12 O4 S4 -","2","0.25","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","x-ray","1.54184","CuKα","","0.031","0.0279","","","0.0708","0.0723","","","","","","1.106","","","","has coordinates","209173","2020-10-21","18:00:00",""
"4513164","7.326","0.0007","9.4851","0.0011","12.2439","0.0011","75.849","0.008","80.341","0.007","77.374","0.009","799.13","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Cu2(F4TCNQ)(2,2'-bpy)2].2MeOH","","","- C34 H24 Cu2 F4 N8 O2 -","- C34 H16 Cu2 F4 N8 O2 -","- C34 H16 Cu2 F4 N8 O2 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.054","0.0461","","","0.1245","0.1291","","","","","","1.044","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513165","8.4004","0.0013","12.2217","0.0018","27.844","0.004","90","","92.11","0.003","90","","2856.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 N O6 S -","- C31 H37 N O6 S -","- C124 H148 N4 O24 S4 -","4","1","","Lee, Sun Hye; Bae, Jae Ho; Park, Yeojin; Adhikari, Bishal Raj; Mao, Chen; Kim, Daeyoung; Kim, Kyung Im; Kang, Sung Kwon; Lee, Eun Hee","Sulfonic Acid Salts of Donepezil and Stabilization of Amorphous Donepezil via Formation of Amorphous Salts","Crystal Growth & Design","2015","15","7","3123","","10.1021/acs.cgd.5b00074","","","0.71073","MoKα","","0.1247","0.0587","","","0.1269","0.1554","","","","","","1.01","","","","has coordinates","140062","2020-10-21","18:00:00",""
"4513166","8.2183","0.0008","12.4764","0.0012","27.31","0.003","90","","90.638","0.007","90","","2800.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 N O6 S -","- C30 H35 N O6 S -","- C120 H140 N4 O24 S4 -","4","1","","Lee, Sun Hye; Bae, Jae Ho; Park, Yeojin; Adhikari, Bishal Raj; Mao, Chen; Kim, Daeyoung; Kim, Kyung Im; Kang, Sung Kwon; Lee, Eun Hee","Sulfonic Acid Salts of Donepezil and Stabilization of Amorphous Donepezil via Formation of Amorphous Salts","Crystal Growth & Design","2015","15","7","3123","","10.1021/acs.cgd.5b00074","","","0.71073","MoKα","","0.1973","0.0746","","","0.1693","0.2254","","","","","","0.973","","","","has coordinates","140062","2020-10-21","18:00:00",""
"4513167","15.1035","0.0003","9.3287","0.0002","34.9631","0.0006","90","","90","","90","","4926.16","0.17","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H33 N O6 S -","- C25 H33 N O6 S -","- C200 H264 N8 O48 S8 -","8","2","","Lee, Sun Hye; Bae, Jae Ho; Park, Yeojin; Adhikari, Bishal Raj; Mao, Chen; Kim, Daeyoung; Kim, Kyung Im; Kang, Sung Kwon; Lee, Eun Hee","Sulfonic Acid Salts of Donepezil and Stabilization of Amorphous Donepezil via Formation of Amorphous Salts","Crystal Growth & Design","2015","15","7","3123","","10.1021/acs.cgd.5b00074","","","0.71073","MoKα","","0.0721","0.0561","","","0.1251","0.1334","","","","","","1.035","","","","has coordinates","140062","2020-10-21","18:00:00",""
"4513168","9.77","","17.33","","22.71","","90","","100.9","","90","","3775.75","","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H48 Co3 N10 O24 -","- C78 H48 Co3 N10 O24 -","- C156 H96 Co6 N20 O48 -","2","0.5","","Burneo, Iván; Stylianou, Kyriakos C.; Rodríguez-Hermida, Sabina; Juanhuix, Jordi; Fontrodona, Xavier; Imaz, Inhar; Maspoch, Daniel","Two New Adenine-Based Co(II) Coordination Polymers: Synthesis, Crystal Structure, Coordination Modes, and Reversible Hydrochromic Behavior","Crystal Growth & Design","2015","15","7","3182","","10.1021/acs.cgd.5b00218","","","0.79474","synchrotron","","0.1304","0.1265","","","0.4527","0.4673","","","","","","2.403","","","","has coordinates","140075","2020-10-21","18:00:00",""
"4513169","9.465","0.007","12.581","0.009","18.98","0.014","90","","93.548","0.013","90","","2256","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Co2 N5 O15 -","- C15 H21 Co2 N5 O15 -","- C60 H84 Co8 N20 O60 -","4","1","","Burneo, Iván; Stylianou, Kyriakos C.; Rodríguez-Hermida, Sabina; Juanhuix, Jordi; Fontrodona, Xavier; Imaz, Inhar; Maspoch, Daniel","Two New Adenine-Based Co(II) Coordination Polymers: Synthesis, Crystal Structure, Coordination Modes, and Reversible Hydrochromic Behavior","Crystal Growth & Design","2015","15","7","3182","","10.1021/acs.cgd.5b00218","","","0.71073","MoKα","","0.0896","0.0573","","","0.122","0.1367","","","","","","1.044","","","","has coordinates","140075","2020-10-21","18:00:00",""
"4513170","18.564","0.0017","10.2788","0.0009","31.583","0.003","90","","90.758","0.002","90","","6026","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H12 Na4 O40 S6 U4 -","- C36 H12 Na4 O40 S6 U4 -","- C144 H48 Na16 O160 S24 U16 -","4","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.0915","0.0628","","","0.1691","0.187","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513171","8.485","0.0012","20.759","0.003","21.698","0.003","97.97","0.003","100.426","0.002","101.314","0.002","3625.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H36 N6 O31 S5 U4 -","- C60 H36 N6 O31 S5 U4 -","- C120 H72 N12 O62 S10 U8 -","2","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.1128","0.0684","","","0.1961","0.2164","","","","","","1.045","","","","has coordinates","140060","2020-10-21","18:00:00",""
"4513172","8.0279","0.0006","13.21","0.001","17.6516","0.0013","90","","91.59","0.001","90","","1871.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O6 S U -","- C18 H14 N2 O6 S U -","- C72 H56 N8 O24 S4 U4 -","4","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.085","0.0408","","","0.0738","0.0878","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513173","7.8324","0.0003","13.4801","0.0005","20.6453","0.0008","90","","94.145","0.001","90","","2174.06","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O7 S U -","- C18 H14 N2 O7 S U -","- C72 H56 N8 O28 S4 U4 -","4","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.0672","0.0433","","","0.0833","0.0887","","","","","","1.255","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513174","7.707","0.002","36.226","0.011","33.863","0.01","90","","94.679","0.005","90","","9423","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H13 N O18.25 S3 U2 -","- C24 H13 N O18.25 S3 U2 -","- C192 H104 N8 O146 S24 U16 -","8","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.121","0.0655","","","0.1943","0.2314","","","","","","1.042","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513175","11.4282","0.0011","20.119","0.002","20.412","0.002","81.576","0.001","77.945","0.001","78.047","0.001","4464","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H14.75 N2 O6.38 S U0.75 -","- C20.5 H14.75 N2 O6.375 S U0.75 -","- C164 H118 N16 O51 S8 U6 -","8","4","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.1325","0.0577","","","0.1403","0.1695","","","","","","1.042","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513176","29.8727","0.0016","7.6518","0.0004","22.1924","0.0012","90","","122.867","0.001","90","","4260.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N3 O8 S1.5 U -","- C21 H12 N3 O8 S1.5 U -","- C168 H96 N24 O64 S12 U8 -","8","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.0232","0.0171","","","0.0336","0.0349","","","","","","1.041","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513177","9.7376","0.0019","15.325","0.003","22.994","0.005","90","","90","","90","","3431.4","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis trichloromethane tetrakis-(4-iodophenyl)ethylene","","- C28 H17 Cl6 I4 -","- C28 H17 Cl6 I4 -","- C112 H68 Cl24 I16 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0658","0.0427","","","0.1211","0.1714","","","","","","1.083","","","","has coordinates,has disorder","140065","2020-10-21","18:00:00",""
"4513178","18.949","0.0013","10.3422","0.0007","17.9428","0.0012","90","","90","","90","","3516.3","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis carbon tetrachloride tetrakis-(4-iodophenyl)ethylene","","- C28 H16 Cl8 I4 -","- C28 H16 Cl8 I4 -","- C112 H64 Cl32 I16 -","4","0.5","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0506","0.031","","","0.0589","0.0668","","","","","","1.007","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513179","20.5197","0.0006","9.7865","0.0003","24.0043","0.0008","90","","91.598","0.001","90","","4818.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetrakis-(4-bromophenyl) ethylene","","- C26 H16 Br4 -","- C26 H16 Br4 -","- C208 H128 Br32 -","8","2","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0666","0.0425","","","0.105","0.1162","","","","","","1.047","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513180","9.3728","0.0019","14.762","0.003","21.871","0.004","90","","90","","90","","3026.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis methyl iodide tetrakis-(4-bromophenyl)ethylene","","- C28 H22 Br4 I2 -","- C28 H22 Br4 I2 -","- C112 H88 Br16 I8 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0709","0.0584","","","0.1728","0.1963","","","","","","1.056","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513181","21.227","0.004","9.881","0.002","29.653","0.006","90","","103.04","0.03","90","","6059","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis diiodomethane bis tetrakis-(4-iodophenyl)ethylene","","- C27 H18 I6 -","- C27 H18 I6 -","- C216 H144 I48 -","8","2","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.1512","0.0653","","","0.1631","0.2724","","","","","","1.073","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513182","25.4217","0.0018","9.5847","0.0006","25.8099","0.0017","90","","103.462","0.001","90","","6116","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris diiodomethane bis tetrakis-(4-bromophenyl)ethylene","","- C27.5 H19 Br4 I3 -","- C27.5 H19 Br4 I3 -","- C220 H152 Br32 I24 -","8","2","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0696","0.0383","","","0.0832","0.0997","","","","","","1.056","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513183","9.3805","0.0004","15.3256","0.0006","21.0238","0.0008","90","","90","","90","","3022.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis dichloromethane tetrakis-(4-bromophenyl)ethylene","","- C28 H20 Br4 Cl4 -","- C28 H20 Br4 Cl4 -","- C112 H80 Br16 Cl16 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0477","0.0326","","","0.0622","0.0665","","","","","","1.02","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513184","9.5601","0.0019","15.112","0.003","22.597","0.005","90","","90","","90","","3264.6","1.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Bis methyl iodide tetrakis-(4-iodophenyl) ethylene","","- C28 H22 I6 -","- C28 H22 I6 -","- C112 H88 I24 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.049","0.0335","","","0.0636","0.0706","","","","","","1.045","","","","has coordinates,has disorder","140065","2020-10-21","18:00:00",""
"4513185","9.6916","0.0019","15.45","0.003","22.047","0.004","90","","90","","90","","3301.2","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis dichloromethane tetrakis-(4-iodophenyl)ethylene","","- C28 H20 Cl4 I4 -","- C28 H20 Cl4 I4 -","- C112 H80 Cl16 I16 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0784","0.0499","","","0.1441","0.2018","","","","","","1.146","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513188","14.0306","0.0003","14.0306","0.0003","28.178","0.0011","90","","90","","120","","4803.9","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C32 H42 Cd N4 O11 -","- C21 H9 Cd O7 -","- C126 H54 Cd6 O42 -","6","1","","Gong, Yun-Nan; Xie, Yong-Rong; Zhong, Di-Chang; Du, Zi-Yi; Lu, Tong-Bu","A Two-Fold Interpenetrating Porous Metal‒Organic Framework with a Large Solvent-Accessible Volume: Gas Sorption and Luminescent Properties","Crystal Growth & Design","2015","15","7","3119","","10.1021/acs.cgd.5b00634","","","1.54178","CuKα","","0.0793","0.0734","","","0.2015","0.2096","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513189","7.509","0.004","7.967","0.005","10.623","0.008","75.53","0.03","83.95","0.05","69.2","0.03","575.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 N2 O5 -","- C13 H8 N2 O5 -","- C26 H16 N4 O10 -","2","1","","Thakur, Tejender S.; Singh, Shiv Shankar","Studying the Role of C═O···C═O, C═O···N‒O, and N‒O···N‒O Dipole‒Dipole Interactions in the Crystal Packing of 4-Nitrobenzoic Acid and 3,3′-Dinitrobenzophenone Polymorphs: An Experimental Charge Density Study","Crystal Growth & Design","2015","15","7","3280","","10.1021/acs.cgd.5b00408","","","0.71075","MoKα","","0.049","0.03","","","","0.066","","","","","","1.26","","","","has coordinates","140061","2020-10-21","18:00:00",""
"4513190","18.94","0.02","5.029","0.006","6.071","0.008","90","","90","","90","","578.3","1.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H8 N2 O5 -","- C13 H8 N2 O5 -","- C26 H16 N4 O10 -","2","0.5","","Thakur, Tejender S.; Singh, Shiv Shankar","Studying the Role of C═O···C═O, C═O···N‒O, and N‒O···N‒O Dipole‒Dipole Interactions in the Crystal Packing of 4-Nitrobenzoic Acid and 3,3′-Dinitrobenzophenone Polymorphs: An Experimental Charge Density Study","Crystal Growth & Design","2015","15","7","3280","","10.1021/acs.cgd.5b00408","","","0.71075","MoKα","","0.025","0.023","","","","0.046","","","","","","1.033","","","","has coordinates","140061","2020-10-21","18:00:00",""
"4513191","20.98","0.13","5.03","0.03","12.85","0.07","90","","97.2","0.08","90","","1345","14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C56 H40 N8 O32 -","8","1","","Thakur, Tejender S.; Singh, Shiv Shankar","Studying the Role of C═O···C═O, C═O···N‒O, and N‒O···N‒O Dipole‒Dipole Interactions in the Crystal Packing of 4-Nitrobenzoic Acid and 3,3′-Dinitrobenzophenone Polymorphs: An Experimental Charge Density Study","Crystal Growth & Design","2015","15","7","3280","","10.1021/acs.cgd.5b00408","","","0.71075","MoKα","","0.03","0.022","","","","0.046","","","","","","1.167","","","","has coordinates","140061","2020-10-21","18:00:00",""
"4513192","16.582","0.002","18.022","0.003","22.278","0.003","90","","104.49","0.004","90","","6445.8","1.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound1","","","- C34 H24 Cl N6 -","- C34 H24 Cl N6 -","- C272 H192 Cl8 N48 -","8","1","","Mukherjee, Soumya; Desai, Aamod V.; Inamdar, Arif I.; Manna, Biplab; Ghosh, Sujit K.","Selective Detection of 2,4,6-Trinitrophenol (TNP) by a π-Stacked Organic Crystalline Solid in Water","Crystal Growth & Design","2015","15","7","3493","","10.1021/acs.cgd.5b00578","","","0.71073","MoKα","","0.2188","0.1144","","","0.3147","0.3621","","","","","","0.957","","","","has coordinates","152783","2020-10-21","18:00:00",""
"4513193","12.5143","0.0004","14.4007","0.0005","4.0339","0.0001","90","","90","","90","","726.97","0.04","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Co2 La -","- Al8 Co2 La -","- Al32 Co8 La4 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.0161","0.0157","","","0.0363","0.0365","","","","","","1.232","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513194","12.472","0.0001","14.387","0.00015","4.022","0.0003","90","","90","","90","","721.69","0.05","298","2","298","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co2 -","- Al8 Ce Co2 -","- Al32 Ce4 Co8 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.0314","0.0255","","","0.056","0.0592","","","","","","0.989","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513195","12.4602","0.0004","14.3743","0.0005","4.0101","0.0001","90","","90","","90","","718.24","0.04","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Co2 Pr -","- Al8 Co2 Pr -","- Al32 Co8 Pr4 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.017","0.0138","","","0.0331","0.035","","","","","","1.047","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513197","12.4159","0.0006","14.3366","0.0007","3.9831","0.0002","90","","90","","90","","709","0.06","300","2","300","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Co2 Sm -","- Al8 Co2 Sm -","- Al32 Co8 Sm4 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.031","0.0298","","","0.0751","0.0766","","","","","","1.081","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513198","12.411","0.001","14.426","0.0005","3.962","0.0005","90","","90","","90","","709.36","0.11","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Co2 Yb -","- Al8 Co2 Yb -","- Al32 Co8 Yb4 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.0397","0.0281","","","0.0606","0.0649","","","","","","1.089","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513199","11.7783","0.0009","9.8847","0.0007","18.2783","0.0015","90","","108.294","0.003","90","","2020.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Cd N3 O5 -","- C21 H14 Cd N3 O5 -","- C84 H56 Cd4 N12 O20 -","4","1","","Singh, Divyendu; Nagaraja, C. M.","Auxiliary Ligand-Assisted Structural Variation of Cd(II) Metal‒Organic Frameworks Showing 2D →3D Polycatenation and Interpenetration: Synthesis, Structure, Luminescence Properties, and Selective Sensing of Trinitrophenol","Crystal Growth & Design","2015","15","7","3356","","10.1021/acs.cgd.5b00450","","","0.71073","MoKα","","0.0728","0.0441","","","0.0768","0.084","","","","","","1.093","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513200","10.01","0.005","14.104","0.005","18.255","0.005","90","0.005","95.281","0.005","90","0.005","2566.3","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cd N3 O8 -","- C24 H17 Cd N3 O8 -","- C96 H68 Cd4 N12 O32 -","4","1","","Singh, Divyendu; Nagaraja, C. M.","Auxiliary Ligand-Assisted Structural Variation of Cd(II) Metal‒Organic Frameworks Showing 2D →3D Polycatenation and Interpenetration: Synthesis, Structure, Luminescence Properties, and Selective Sensing of Trinitrophenol","Crystal Growth & Design","2015","15","7","3356","","10.1021/acs.cgd.5b00450","","","0.71073","MoKα","","0.1502","0.0849","","","0.2104","0.2404","","","","","","1.142","","","","has coordinates","140078","2020-10-21","18:00:00",""
"4513201","5.9502","0.0003","9.9575","0.0005","16.4531","0.0009","74.197","0.002","84.359","0.002","89.099","0.002","933.38","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cd N4 O6 -","- C18 H14 Cd N4 O6 -","- C36 H28 Cd2 N8 O12 -","2","1","","Singh, Divyendu; Nagaraja, C. M.","Auxiliary Ligand-Assisted Structural Variation of Cd(II) Metal‒Organic Frameworks Showing 2D →3D Polycatenation and Interpenetration: Synthesis, Structure, Luminescence Properties, and Selective Sensing of Trinitrophenol","Crystal Growth & Design","2015","15","7","3356","","10.1021/acs.cgd.5b00450","","","0.71073","MoKα","","0.0507","0.0461","","","0.1297","0.1314","","","","","","1.256","","","","has coordinates","140078","2020-10-21","18:00:00",""
"4513202","22.317","0.005","9.927","0.005","31.901","0.005","90","0.005","109.521","0.005","90","0.005","6661","4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H49 Cd2 N18 O12 -","- C66 H49 Cd2 N18 O12 -","- C264 H196 Cd8 N72 O48 -","4","1","","Singh, Divyendu; Nagaraja, C. M.","Auxiliary Ligand-Assisted Structural Variation of Cd(II) Metal‒Organic Frameworks Showing 2D →3D Polycatenation and Interpenetration: Synthesis, Structure, Luminescence Properties, and Selective Sensing of Trinitrophenol","Crystal Growth & Design","2015","15","7","3356","","10.1021/acs.cgd.5b00450","","","0.71073","MoKα","","0.116","0.0813","","","0.1702","0.182","","","","","","1.165","","","","has coordinates","140078","2020-10-21","18:00:00",""
"4513203","9.05","0.01","6.08","0.01","15.1","0.01","90","","101.67","0.01","90","","813.7","1.7","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo","Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21","Crystal Growth & Design","2015","15","7","3452","","10.1021/acs.cgd.5b00515","","","0.71073","MoKα","","0.0691","0.0509","","","0.1172","0.1224","","","","","","0.958","","","","has coordinates,has disorder","152784","2020-10-21","18:00:00",""
"4513204","6.5672","0.0006","14.5638","0.0013","8.2949","0.0008","90","","91.341","0.008","90","","793.14","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo","Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21","Crystal Growth & Design","2015","15","7","3452","","10.1021/acs.cgd.5b00515","","","0.71073","MoKα","","0.1188","0.0915","","","0.2556","0.3402","","","","","","1.424","","","","has coordinates","152784","2020-10-21","18:00:00",""
"4513205","6.5739","0.0006","14.5868","0.0012","8.3126","0.0007","90","","91.506","0.008","90","","796.84","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo","Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21","Crystal Growth & Design","2015","15","7","3452","","10.1021/acs.cgd.5b00515","","","0.71073","MoKα","","0.0317","0.03","","","0.0741","0.0758","","","","","","1.068","","","","has coordinates","152784","2020-10-21","18:00:00",""
"4513206","8.4879","0.0003","13.2677","0.0003","14.2857","0.0005","90","","120.695","0.003","90","","1383.39","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N2 O4 S Zn -","- C12 H11 N2 O4 S Zn -","- C48 H44 N8 O16 S4 Zn4 -","4","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.0282","0.0276","","","0.0721","0.0726","","","","","","1.083","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513207","8.588","","13.66","","12.433","","90","","92.08","","90","","1457.58","","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N2 O4 S Zn -","- C13 H13 N2 O4 S Zn -","- C52 H52 N8 O16 S4 Zn4 -","4","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.0363","0.0305","","","0.0788","0.0813","","","","","","1.03","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513208","13.593","0.0001","15.407","0.0002","30.6","0.0001","90","","90","","90","","6408.48","0.1","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H15 N2 O4 S Zn -","- C14 H15 N2 O4 S Zn -","- C224 H240 N32 O64 S16 Zn16 -","16","2","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","x-ray","0.71073","MoKα","","0.0454","0.035","","","0.0838","0.0888","","","","","","1.042","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513209","14.2067","0.0013","16.6292","0.0014","14.7442","0.0014","90","","90.963","0.008","90","","3482.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N2 O4 S Zn -","- C14 H11 N2 O4 S Zn -","- C112 H88 N16 O32 S8 Zn8 -","8","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.1466","0.0962","","","0.2457","0.3","","","","","","1.011","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513210","14.187","0.0003","16.543","0.0004","14.759","0.0003","90","","90.686","0.001","90","","3463.62","0.13","145","2","145","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N2 O4 S Zn -","- C15 H13 N2 O4 S Zn -","- C120 H104 N16 O32 S8 Zn8 -","8","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.038","0.0291","","","0.0684","0.0728","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513211","10.151","","13.086","","13.062","","90","","94.93","","90","","1728.69","","145","2","145","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N2 O4 S Zn -","- C16 H15 N2 O4 S Zn -","- C64 H60 N8 O16 S4 Zn4 -","4","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.0275","0.0252","","","0.069","0.0701","","","","","","1.045","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513212","11.686","","11.971","","14.314","","90","","90","","90","","2002.43","","150","2","150","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","","","- C20 H28 N4 O -","- C20 H28 N4 O -","- C80 H112 N16 O4 -","4","0.5","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.0927","0.0856","","","0.1893","0.1923","","","","","","1.035","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513213","6.8722","0.0006","11.2171","0.0011","33.051","0.003","90","","90","","90","","2547.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 N2 O2 S2 -","- C34 H20 N2 O2 S2 -","- C136 H80 N8 O8 S8 -","4","1","","Zeng, Xianghua; Chang, Shaoqing; Deng, Ke; Zhang, Junyong; Sun, Hongbin; Zeng, Qingdao; Xie, Jingli","Synthesis and Molecular Structures of BINOL Complexes: An STM Investigation of 2D Self-Assembly","Crystal Growth & Design","2015","15","7","3096","","10.1021/acs.cgd.5b00143","","","0.71073","MoKα","","0.1853","0.0746","","","0.079","0.1103","","","","","","0.962","","","","has coordinates","140077","2020-10-21","18:00:00",""
"4513214","6.8359","0.0003","15.6377","0.0009","22.493","0.0012","90","","90","","90","","2404.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 N4 O2 S2 -","- C28 H18 N4 O2 S2 -","- C112 H72 N16 O8 S8 -","4","1","","Zeng, Xianghua; Chang, Shaoqing; Deng, Ke; Zhang, Junyong; Sun, Hongbin; Zeng, Qingdao; Xie, Jingli","Synthesis and Molecular Structures of BINOL Complexes: An STM Investigation of 2D Self-Assembly","Crystal Growth & Design","2015","15","7","3096","","10.1021/acs.cgd.5b00143","","","0.71","MoKα","","0.1794","0.0946","","","0.2627","0.3166","","","","","","1.096","","","","has coordinates","140077","2020-10-21","18:00:00",""
"4513220","21.1455","0.0019","12.7188","0.0012","17.8085","0.0016","90","","105.078","0.0016","90","","4624.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N6 O6 S2 -","- C30 H32 N6 O6 S2 -","- C180 H192 N36 O36 S12 -","6","1.5","","Adachi, Takuji; Connors, David M.; Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Strong Intermolecular Electronic Coupling of Chromophores Confined in Hydrogen-Bonded Frameworks","Crystal Growth & Design","2015","15","7","3366","","10.1021/acs.cgd.5b00452","","","0.71073","MoKα","","0.1124","0.0502","","","0.1094","0.1387","","","","","","1.008","","","","has coordinates","140067","2020-10-21","18:00:00",""
"4513221","19.603","0.003","7.6017","0.001","19.639","0.003","90","","112.751","0.0017","90","","2698.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N6 O6 S2 -","- C24 H28 N6 O6 S2 -","- C96 H112 N24 O24 S8 -","4","1","","Adachi, Takuji; Connors, David M.; Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Strong Intermolecular Electronic Coupling of Chromophores Confined in Hydrogen-Bonded Frameworks","Crystal Growth & Design","2015","15","7","3366","","10.1021/acs.cgd.5b00452","","","0.71073","MoKα","","0.0542","0.0427","","","0.1014","0.1077","","","","","","1.044","","","","has coordinates,has disorder","140067","2020-10-21","18:00:00",""
"4513222","21.79","0.001","7.585","0.0003","16.3519","0.0007","90","","90","","90","","2702.6","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H28 N6 O6 S2 -","- C24 H28 N6 O6 S2 -","- C96 H112 N24 O24 S8 -","4","1","","Adachi, Takuji; Connors, David M.; Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Strong Intermolecular Electronic Coupling of Chromophores Confined in Hydrogen-Bonded Frameworks","Crystal Growth & Design","2015","15","7","3366","","10.1021/acs.cgd.5b00452","","","0.71073","MoKα","","0.0459","0.0353","","","0.0814","0.0872","","","","","","1.023","","","","has coordinates,has disorder","140067","2020-10-21","18:00:00",""
"4513223","6.32184","0.00007","10.11135","0.00008","6.50351","0.00004","90","","114.252","0.001","90","","379.031","0.006","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl H4 Na O2 -","- Cl H4 Na O2 -","- Cl4 H16 Na4 O8 -","4","1","","Bode, Arno A. C.; Pulles, Paul G. M.; Lutz, Martin; Poulisse, Ward J. M.; Jiang, Shanfeng; Meijer, Jan A. M.; van Enckevort, Willem J. P.; Vlieg, Elias","Sodium Chloride Dihydrate Crystals: Morphology, Nucleation, Growth, and Inhibition","Crystal Growth & Design","2015","15","7","3166","","10.1021/acs.cgd.5b00061","","","0.71073","MoKα","","0.0176","0.0156","","","0.0383","0.039","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513224","9.8949","0.0007","9.9056","0.0007","7.2865","0.0005","89.46","0.01","89.944","0.001","60.09","0.01","619.03","0.1","293","","293","","","","","","","","","3","P 1","P 1","1","","","","- Ge6 La9.68 O26.51 -","- Ge6 La9.675 O26.513 -","- Ge6 La9.675 O26.513 -","1","1","","Fukuda, Koichiro; Asaka, Toru; Hara, Shinji; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Jouin, Jenny; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity of Highly Grain-Aligned Polycrystalline Lanthanum Germanate Oxyapatite Grown by Reactive Diffusion between Solid La2GeO5and Gases [GeO + 1/2O2]","Crystal Growth & Design","2015","15","7","3435","","10.1021/acs.cgd.5b00509","","x-ray","0.71073","MoKα","","0.0382","0.0298","","","0.0333","0.0346","","","","1.66","1.66","1.6","","","","has coordinates","152786","2020-10-21","18:00:00",""
"4513225","7.4665","0.0004","11.9467","0.0005","12.0974","0.0007","90","","90","","90","","1079.09","0.1","173","","173","","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C10 H10 B F4 Fe -","- C10 H10 B F4 Fe -","- C40 H40 B4 F16 Fe4 -","4","0.25","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0495","0.0419","","0.1127","0.1018","0.1127","","","","","","1.0413","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513226","7.0121","0.0002","12.0018","0.0004","12.6356","0.0005","90","","94.0046","0.0019","90","","1060.79","0.06","120","","120","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C10 H10 B F4 Fe -","- C10 H10 B F4 Fe -","- C40 H40 B4 F16 Fe4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0554","0.035","","0.0887","0.0806","0.0887","","","","","","1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513227","13.4125","0.0002","9.5318","0.0002","9.4855","0.0002","90","","93.2","0.001","90","","1210.79","0.04","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0941","0.0456","","0.1598","0.1119","0.1598","","","","","","0.9951","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513228","13.3922","0.0005","9.2457","0.0003","9.3076","0.0003","90","","96.84","0.002","90","","1144.27","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0611","0.0364","","0.0772","0.0679","0.0772","","","","","","0.9614","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513229","13.3462","0.0011","9.4447","0.0008","9.4076","0.0008","90","","92.987","0.002","90","","1184.22","0.17","240","","240","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0546","0.0366","","0.1002","0.0795","0.1002","","","","","","1.0257","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513230","13.342","0.002","9.2108","0.0015","9.2723","0.0016","90","","96.812","0.004","90","","1131.4","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0546","0.0383","","0.084","0.0773","0.084","","","","","","0.9733","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513231","13.3215","0.0012","9.4269","0.0008","9.3913","0.0008","90","","92.977","0.002","90","","1177.77","0.18","240","","241","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0539","0.0365","","0.1065","0.085","0.1065","","","","","","1.0596","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513232","17.0103","0.0019","17.0103","0.0019","77.059","0.008","90","","90","","90","","22297","4","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","1*AgNO3 in manuscript","","","- C52 H32 Ag2 N6 O6 Si -","- C52 H32 Ag2 N4 Si -","- C832 H512 Ag32 N64 Si16 -","16","","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.2567","0.2491","","","0.575","0.5771","","","","","","4.644","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513233","27.104","0.008","31.278","0.009","34.9","0.01","90","","92.1","0.006","90","","29567","15","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1*Cu(NO3)2 in manuscript","","","- C52 H31 Cu N6 O6 Si -","- C52 H31 Cu N4 O2 Si -","- C416 H248 Cu8 N32 O16 Si8 -","8","1","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.2011","0.1333","","","0.3787","0.4249","","","","","","1.292","","","","has coordinates,has disorder","140066","2020-10-21","18:00:00",""
"4513234","33.224","0.003","21.0248","0.0017","8.4989","0.0007","90","","102.143","0.002","90","","5803.9","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1*Zn(OAc)2 in manuscript","","","- C60 H44 N4 O8 Si Zn2 -","- C60 H44 N4 O12 Si Zn2 -","- C240 H176 N16 O48 Si4 Zn8 -","4","0.5","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.1325","0.0661","","","0.1497","0.1798","","","","","","1.041","","","","has coordinates,has disorder","140066","2020-10-21","18:00:00",""
"4513235","18.695","0.003","20.122","0.003","21.068","0.004","111.924","0.004","92.824","0.005","94.973","0.005","7296","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","1*Cu(OAc)2 in manuscript","","","- C120 H88 Cu4 N8 O16 Si2 -","- C120 H88 Cu4 N8 O16 Si2 -","- C240 H176 Cu8 N16 O32 Si4 -","2","1","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.2041","0.1051","","","0.2685","0.3275","","","","","","1.024","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513236","26.518","0.007","26.518","0.007","6.3122","0.0018","90","","90","","90","","4439","2","200","2","200","2","","","","","","","","4","I 41/a","-I 4ad","88","1 (first modification) in manuscript","","","- C56 H32 N4 Si -","- C56 H32 N4 Si -","- C224 H128 N16 Si4 -","4","","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.1001","0.074","","","0.1859","0.1982","","","","","","1.222","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513237","9.0422","0.0006","29.432","0.002","15.6532","0.0011","90","","104.306","0.0019","90","","4036.6","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","1 (second modification) in manuscript","","","- C52 H32 N4 Si -","- C52 H32 N4 Si -","- C208 H128 N16 Si4 -","4","2","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.0981","0.0569","","","0.1191","0.1366","","","","","","1.013","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513238","14.5595","0.0019","14.5595","0.0019","22.373","0.003","90","","90","","90","","4742.6","1.1","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","3 in manuscript","","","- C44 H52 Si5 -","- C44 H52 Si5 -","- C176 H208 Si20 -","4","","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.098","0.0634","","","0.164","0.1869","","","","","","1.085","","","","has coordinates,has disorder","140066","2020-10-21","18:00:00",""
"4513239","13.491","0.002","13.491","0.002","6.7026","0.001","90","","90","","90","","1219.9","0.3","200","2","200","2","","","","","","","","3","I -4","I -4","82","4 in manuscript","","","- C32 H20 Si -","- C32 H20 Si -","- C64 H40 Si2 -","2","0.25","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.0588","0.0454","","","0.0836","0.0911","","","","","","1.084","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513240","7.7529","0.0002","20.1808","0.0006","27.1449","0.0008","90","","90","","90","","4247.1","0.2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","N-iodosuccinimide/pyridine","","","- C9 H9 I N2 O2 -","- C9 H9 I N2 O2 -","- C144 H144 I16 N32 O32 -","16","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.1161","0.0489","","","0.1074","0.1358","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513241","7.7617","0.0004","14.5317","0.0008","10.6247","0.0006","90","","108.296","0.003","90","","1137.79","0.11","293","2","293","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","N-iodo-succinimide/4-picoline","","","- C10 H11 I N2 O2 -","- C10 H11 I N2 O2 -","- C40 H44 I4 N8 O8 -","4","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0673","0.034","","","0.0557","0.0634","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513242","6.449","0.0012","7.905","0.002","25.9495","0.0013","90","","90","","90","","1322.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-iodosuccinimide/4-dimethylaminopyridine","","","- C11 H14 I N3 O2 -","- C11 H14 I N3 O2 -","- C44 H56 I4 N12 O8 -","4","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0814","0.0406","","","0.0625","0.0718","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513243","7.8317","0.0005","8.6483","0.0003","11.7431","0.0013","106.618","0.006","99.711","0.008","98.224","0.003","735.66","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","N-iodosaccharin/4-picoline","","","- C13 H11 I N2 O3 S -","- C13 H11 I N2 O3 S -","- C26 H22 I2 N4 O6 S2 -","2","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0422","0.0288","","","0.0635","0.0679","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513244","7.6973","0.0003","8.6302","0.0003","11.6836","0.0004","106.797","0.002","100.216","0.002","98.149","0.002","715.73","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","N-iodosaccharin/4-picoline","","","- C13 H11 I N2 O3 S -","- C13 H11 I N2 O3 S -","- C26 H22 I2 N4 O6 S2 -","2","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.032","0.0268","","","0.0723","0.0864","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513245","7.7751","0.0004","8.2011","0.0004","13.0199","0.0005","75.347","0.004","88.101","0.005","83.128","0.005","797.43","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","N-iodosaccharin/4-dimethylaminopyridine","","","- C14 H14 I N3 O3 S -","- C14 H14 I N3 O3 S -","- C28 H28 I2 N6 O6 S2 -","2","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0224","0.0184","","","0.044","0.0459","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513246","7.724","0.005","8.116","0.005","12.862","0.005","76.081","0.005","88.161","0.005","83.352","0.005","777.3","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","N-iodosaccharin/4-dimethylaminopyridine","","","- C14 H14 I N3 O3 S -","- C14 H14 I N3 O3 S -","- C28 H28 I2 N6 O6 S2 -","2","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0225","0.0207","","","0.0561","0.0695","","","","","","0.872","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513247","12.5102","0.0005","13.4656","0.0005","15.4021","0.0006","65.072","0.004","80.169","0.003","83.094","0.003","2314.94","0.17","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 N10 O22 S4 -","- C36 H56 N10 O22 S4 -","- C72 H112 N20 O44 S8 -","2","1","","Barboiu, Mihail; Dumitrescu, Dan; Petit, Eddy; Legrand, Yves-Marie; van der Lee, Arie","Crystallization-Driven Multicomponent Encapsulation of Coulombically Repulsive Guests","Crystal Growth & Design","2015","15","7","3525","","10.1021/acs.cgd.5b00596","","","0.71073","MoKα","","0.0642","0.0544","","0.0579","0.0554","0.0554","","","","","","1.1075","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513248","16.6234","0.0009","14.1631","0.0008","20.9416","0.0011","90","","102.545","0.005","90","","4812.8","0.5","175","","175","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H51 N12 Na O16.5 S4 -","- C42 H51 N12 Na O16.5 S4 -","- C168 H204 N48 Na4 O66 S16 -","4","1","","Barboiu, Mihail; Dumitrescu, Dan; Petit, Eddy; Legrand, Yves-Marie; van der Lee, Arie","Crystallization-Driven Multicomponent Encapsulation of Coulombically Repulsive Guests","Crystal Growth & Design","2015","15","7","3525","","10.1021/acs.cgd.5b00596","","","0.71073","MoKα","","0.1225","0.082","","0.1217","0.0955","0.0955","","","","","","1.0444","","","","has coordinates","289785","2024-02-12","08:29:28",""
"4513249","11.73","0.0005","30.0399","0.0011","14.0781","0.0007","90","","95.903","0.004","90","","4934.4","0.4","175","","175","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N10 Na O20 S4 -","- C36 H40 N10 Na O20 S4 -","- C144 H160 N40 Na4 O80 S16 -","4","1","","Barboiu, Mihail; Dumitrescu, Dan; Petit, Eddy; Legrand, Yves-Marie; van der Lee, Arie","Crystallization-Driven Multicomponent Encapsulation of Coulombically Repulsive Guests","Crystal Growth & Design","2015","15","7","3525","","10.1021/acs.cgd.5b00596","","","0.71073","MoKα","","0.1489","0.1304","","0.1455","0.1347","0.1347","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513250","5.774","0.004","10.168","0.008","13.264","0.01","88.77","0.02","84.79","0.02","82.25","0.02","768.4","1","151","2","151","2","","","","","","","","6","P -1","-P 1","2","thiobenzamide & 1,4-diiodotetrafluorobenzene (1:1) cocrystal","","","- C13 H7 F4 I2 N S -","- C13 H7 F4 I2 N S -","- C26 H14 F8 I4 N2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0258","0.0207","","","0.043","0.0452","","","","","","1.023","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513251","6.2654","0.0005","10.9683","0.001","15.3237","0.0013","80.406","0.003","81.396","0.003","79.248","0.003","1012.44","0.15","300","2","300","2","","","","","","","","6","P -1","-P 1","2","thiobenzamide & 1,4-diiodotetrafluorobenzene (2:3) cocrystal","","","- C32 H14 F12 I6 N2 S2 -","- C32 H14 F12 I6 N2 S2 -","- C32 H14 F12 I6 N2 S2 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0431","0.0292","","","0.0721","0.0919","","","","","","1.097","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513252","8.1916","0.0004","8.6229","0.0004","9.6939","0.0005","97.908","0.001","93.295","0.001","112.073","0.001","624.05","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","2-methylthiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0382","0.0347","","","0.0917","0.0944","","","","","","1.192","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513253","10.4324","0.0007","5.448","0.0003","21.0125","0.0014","90","","102.34","0.002","90","","1166.67","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-methylthiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","- C44 H36 F8 I4 N4 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0297","0.0258","","","0.0507","0.0519","","","","","","0.953","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513254","7.9155","0.0004","11.2629","0.0006","15.2608","0.0009","69.617","0.001","81.552","0.001","76.408","0.001","1236.45","0.12","292","2","292","2","","","","","","","","6","P -1","-P 1","2","alpha form of 4-methylthiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","- C44 H36 F8 I4 N4 S4 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0327","0.0239","","","0.0526","0.0568","","","","","","1.04","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513255","28.2332","0.0014","10.7096","0.0006","8.169","0.0004","90","","91.178","0.001","90","","2469.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","beta form of 4-methylthiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","- C88 H72 F16 I8 N8 S8 -","4","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0281","0.0227","","","0.0553","0.059","","","","","","1.064","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513256","10.746","0.003","6.183","0.0016","18.78","0.005","90","","98.107","0.007","90","","1235.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2-methoxythiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 O2 S2 -","- C22 H18 F4 I2 N2 O2 S2 -","- C44 H36 F8 I4 N4 O4 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0348","0.0318","","","0.0844","0.0865","","","","","","1.064","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513257","6.7544","0.0008","9.9221","0.0012","18.4744","0.0018","90","","93.261","0.003","90","","1236.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3-methoxythiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 O2 S2 -","- C22 H18 F4 I2 N2 O2 S2 -","- C44 H36 F8 I4 N4 O4 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0404","0.0294","","","0.051","0.0545","","","","","","1.012","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513258","5.846","0.001","13.27","0.002","20.334","0.004","71.991","0.004","83.885","0.004","79.176","0.004","1471.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","4-methoxythiobenzamide & 1,4-diiodotetrafluorobenzene (4:3) cocrystal","","","- C50 H36 F12 I6 N4 O4 S4 -","- C50 H36 F12 I6 N4 O4 S4 -","- C50 H36 F12 I6 N4 O4 S4 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0283","0.0268","","","0.0707","0.0716","","","","","","1.108","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513259","5.1924","0.0007","14.745","0.002","16.356","0.003","90","","98.258","0.005","90","","1239.3","0.3","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3-nitrothiobenzamide & 1,4-diiodotetrafluorobenzene (4:3) cocrystal","","","- C20 H12 F4 I2 N4 O4 S2 -","- C20 H12 F4 I2 N4 O4 S2 -","- C40 H24 F8 I4 N8 O8 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.039","0.0246","","","0.0617","0.0875","","","","","","1.282","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513260","6.2828","0.0003","10.9161","0.0005","12.9878","0.0006","110.556","0.001","96.205","0.001","102.901","0.001","795.83","0.06","294","2","294","2","","","","","","","","6","P -1","-P 1","2","2-fluorothiobenzamide & 1,4-diiodotetrafluorobenzene (1:1) cocrystal","","","- C13 H6 F5 I2 N S -","- C13 H6 F5 I2 N S -","- C26 H12 F10 I4 N2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0456","0.038","","","0.0817","0.0852","","","","","","0.911","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513261","4.2868","0.0004","13.6897","0.0013","25.474","0.003","105.469","0.002","91.027","0.002","96.835","0.002","1428.6","0.3","286","2","286","2","","","","","","","","7","P -1","-P 1","2","2-chlorothiobenzamide & 1,4 diiodotetrafluorobenzene (4:3) cocrystal","","","- C46 H24 Cl4 F12 I6 N4 S4 -","- C46 H24 Cl4 F12 I6 N4 S4 -","- C46 H24 Cl4 F12 I6 N4 S4 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0878","0.0394","","","0.119","0.181","","","","","","1.237","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513262","12.0308","0.0017","9.2912","0.0011","11.655","0.0016","90","","107.79","0.004","90","","1240.5","0.3","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-chlorothiobenzamide & 1,4 diiodotetrafluorobenzene (2:1) cocrystal","","","- C20 H12 Cl2 F4 I2 N2 S2 -","- C20 H12 Cl2 F4 I2 N2 S2 -","- C40 H24 Cl4 F8 I4 N4 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0413","0.0289","","","0.0701","0.0929","","","","","","1.161","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513263","13.7819","0.0016","7.0458","0.0008","11.6222","0.0012","90","","97.938","0.004","90","","1117.8","0.2","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pyridine-2-carbothioamide & 1,4 diiodotetrafluorobenzene (2:1) cocrystal","","","- C18 H12 F4 I2 N4 S2 -","- C18 H12 F4 I2 N4 S2 -","- C36 H24 F8 I4 N8 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0463","0.0337","","","0.1049","0.1152","","","","","","1.146","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513264","9.5135","0.0019","9.969","0.002","12.113","0.002","78.9","0.03","86.64","0.03","82.54","0.03","1117.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N0 Ni2 O12 -","- C22 H16 Ni2 O12 -","- C44 H32 Ni4 O24 -","2","1","","Zhang, Lin; Liu, Lu; Huang, Chao; Han, Xiao; Guo, Li’an; Xu, Hong; Hou, Hongwei; Fan, Yaoting","Polynuclear Ni(II)/Co(II)/Mn(II) Complexes Based on Terphenyl‒Tetracarboxylic Acid Ligand: Crystal Structures and Research of Magnetic Properties","Crystal Growth & Design","2015","15","7","3426","","10.1021/acs.cgd.5b00504","","","0.71073","MoKα","","0.0701","0.059","","","0.141","0.1486","","","","","","1.087","","","","has coordinates","140059","2020-10-21","18:00:00",""
"4513265","9.495","0.0019","15.284","0.003","19.639","0.004","109.44","0.03","93.93","0.03","103.48","0.03","2580.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 Co4 N2 O22 -","- C54 H28 Co4 N2 O19 -","- C108 H56 Co8 N4 O38 -","2","1","","Zhang, Lin; Liu, Lu; Huang, Chao; Han, Xiao; Guo, Li’an; Xu, Hong; Hou, Hongwei; Fan, Yaoting","Polynuclear Ni(II)/Co(II)/Mn(II) Complexes Based on Terphenyl‒Tetracarboxylic Acid Ligand: Crystal Structures and Research of Magnetic Properties","Crystal Growth & Design","2015","15","7","3426","","10.1021/acs.cgd.5b00504","","","0.71073","MoKα","","0.1114","0.0868","","","0.1982","0.2183","","","","","","0.968","","","","has coordinates","140059","2020-10-21","18:00:00",""
"4513266","9.87","0.002","10.291","0.002","12.654","0.003","111.95","0.03","99.96","0.03","90.86","0.03","1169.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Mn2 N0 O12 -","- C22 H16 Mn2 O12 -","- C44 H32 Mn4 O24 -","2","1","","Zhang, Lin; Liu, Lu; Huang, Chao; Han, Xiao; Guo, Li’an; Xu, Hong; Hou, Hongwei; Fan, Yaoting","Polynuclear Ni(II)/Co(II)/Mn(II) Complexes Based on Terphenyl‒Tetracarboxylic Acid Ligand: Crystal Structures and Research of Magnetic Properties","Crystal Growth & Design","2015","15","7","3426","","10.1021/acs.cgd.5b00504","","","0.71073","MoKα","","0.0836","0.073","","","0.1807","0.194","","","","","","1.05","","","","has coordinates","140059","2020-10-21","18:00:00",""
"4513267","13.5102","0.0006","15.2418","0.0006","18.3238","0.0007","99.534","0.003","98.72","0.003","90.086","0.003","3676.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Sulfamethizole-4-aminobenzamide cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-4-Aminobenzamide","","- C16 H18 N6 O3 S2 -","- C16 H18 N6 O3 S2 -","- C128 H144 N48 O24 S16 -","8","4","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.1251","0.0943","","","0.2256","0.2399","","","","","","1.116","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513268","10.4481","0.0003","19.2259","0.0005","16.5666","0.0007","90","","90","","90","","3327.8","0.19","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Sulfamethizole-subericacid cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-Octane-1,8-dioic acid","","- C26 H34 N8 O8 S4 -","- C26 H34 N8 O8 S4 -","- C104 H136 N32 O32 S16 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0574","0.044","","","0.0824","0.0865","","","","","","1.04","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513269","8.1754","0.0007","18.612","0.001","13.169","0.0011","90","","93.048","0.007","90","","2001","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfamethizole-bipyridine cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-4,4-Dipyridyl","","- C19 H18 N6 O2 S2 -","- C19 H18 N6 O2 S2 -","- C76 H72 N24 O8 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0952","0.056","","","0.1041","0.116","","","","","","1.047","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513270","7.9915","0.0004","21.6918","0.0008","8.5756","0.0004","90","","95.737","0.004","90","","1479.13","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamethizole-adipic acid cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-hexane-1,6-dioic acid","","- C12 H15 N4 O4 S2 -","- C12 H15 N4 O4 S2 -","- C48 H60 N16 O16 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0378","0.0291","","","0.0685","0.0714","","","","","","1.016","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513271","9.2097","0.0003","10.8241","0.0005","18.291","0.0007","90","","101.645","0.003","90","","1785.84","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfamethizole-4-aminobenzoicacid cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-4-Aminobenzoicacid","","- C16 H17 N5 O4 S2 -","- C16 H17 N5 O4 S2 -","- C64 H68 N20 O16 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0384","0.0294","","","0.0718","0.0748","","","","","","1.022","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513272","8.1263","0.0005","19.7763","0.0007","12.0584","0.0007","90","","109.396","0.004","90","","1827.9","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamethizole-vanillic acid cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-3-methoxy-4-hydroxy-benzoicacid","","- C17 H18 N4 O6 S2 -","- C17 H18 N4 O6 S2 -","- C68 H72 N16 O24 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.036","0.0292","","","0.0682","0.0707","","","","","","1.059","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513273","8.0559","0.0003","20.6543","0.0006","8.5539","0.0004","90","","99.903","0.003","90","","1402.07","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamethizole-mono-oxalate salt","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-mono-oxalte","","- C11 H12 N4 O6 S2 -","- C11 H12 N4 O6 S2 -","- C44 H48 N16 O24 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0406","0.0324","","","0.0759","0.0789","","","","","","1.034","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513274","22.584","0.003","22.584","0.003","21.75","0.005","90","","90","","120","","9607","3","290","2","290","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","AgBF4-eggcrate squeezed","Silver tetrafluoroborate / 4-[di(pyrazol-1-yl)methyl]pyridine / hexamethylene- tetramine 3:3:1 coordination polymer, 2-dimensional, with unknown solvent squeezed and not contained in chemical formula and quantities derived thereof.","","- C42 H45 Ag3 B3 F12 N19 -","- C42 H45 Ag3 B3 F12 N19 -","- C252 H270 Ag18 B18 F72 N114 -","6","0.166667","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Mereiter, Kurt","Robust 2D Coordination Networks from a Two-Step Assembly Process with Predesigned Silver Cyclic Dimers and Hexamethylenetetramine","Crystal Growth & Design","2015","15","7","3321","","10.1021/acs.cgd.5b00428","","","0.71073","MoKα","","0.079","0.0485","","","0.1243","0.1407","","","","","","1.065","","","","has coordinates,has disorder","140076","2020-10-21","18:00:00",""
"4513275","22.5686","0.0005","22.5686","0.0005","22.2724","0.0005","90","","90","","120","","9824.4","0.4","297","2","297","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","1666 bm AgClO4-eggcrate squeezed","Silver perchlorate / 4-[di(pyrazol-1-yl)methyl]pyridine / hexamethylene- teramine 3:3:1 coordination polymer, 2-dimensional, with unknown solvent squeezed and not contained in chemical formula and quantities derived thereof.","","- C42 H45 Ag3 Cl3 N19 O12 -","- C42 H45 Ag3 Cl3 N19 O12 -","- C252 H270 Ag18 Cl18 N114 O72 -","6","0.166667","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Mereiter, Kurt","Robust 2D Coordination Networks from a Two-Step Assembly Process with Predesigned Silver Cyclic Dimers and Hexamethylenetetramine","Crystal Growth & Design","2015","15","7","3321","","10.1021/acs.cgd.5b00428","","","0.71073","MoKα","","0.0843","0.064","","","0.2089","0.2277","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513276","22.891","0.01","22.891","","23.847","0.011","90","","90","","120","","10822","7","290","2","290","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","AgPF6-eggcrate squeezed","Silver hexafluorophosphate / 4-[di(pyrazol-1-yl)methyl]pyridine / hexamethylene- tetramine 3:3:1 coordination polymer, 2-dimensional, with mainly dimethyl formamide solvent queezed and not contained in chemical formula and quantities derived thereof.","","- C42 H45 Ag3 F18 N19 P3 -","- C42 H45 Ag3 F21 N19 P3 -","- C252 H270 Ag18 F126 N114 P18 -","6","0.166667","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Mereiter, Kurt","Robust 2D Coordination Networks from a Two-Step Assembly Process with Predesigned Silver Cyclic Dimers and Hexamethylenetetramine","Crystal Growth & Design","2015","15","7","3321","","10.1021/acs.cgd.5b00428","","","0.71073","MoKα","","0.1264","0.0577","","","0.1526","0.1949","","","","","","0.895","","","","has coordinates","140076","2020-10-21","18:00:00",""
"4513277","8.0256","0.0003","4.57553","0.00011","9.142","0.002","90","","101.666","0.011","90","","328.77","0.07","293","2","293","2","100","1","100","1","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41414","","","0.0432","0.0392","","","0.0965","0.1055","","","","","","1.158","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513278","7.9853","0.0004","4.55112","0.00013","9","0.003","90","","102.014","0.013","90","","319.91","0.11","293","2","293","2","370000","50000","370000","50000","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0355","0.0327","","","0.0819","0.0891","","","","","","1.142","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513279","7.9615","0.0004","4.53586","0.00014","8.911","0.003","90","","102.155","0.014","90","","314.58","0.11","293","2","293","2","740000","50000","740000","50000","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0362","0.0338","","","0.0823","0.0897","","","","","","1.201","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513280","7.9216","0.0002","4.50673","0.00007","8.7646","0.0014","90","","102.548","0.007","90","","305.43","0.05","293","2","293","2","1420000","50000","1420000","50000","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0464","0.0431","","","0.1123","0.119","","","","","","1.223","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513281","12.9231","0.0008","4.4816","0.0001","17.2952","0.0015","90","","143.48","0.004","90","","596.1","0.09","293","2","293","2","2080000","110000","2080000","110000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0627","0.0481","","","0.1163","0.1375","","","","","","1.15","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513282","12.8439","0.0014","4.4632","0.0001","17.122","0.003","90","","143.381","0.008","90","","585.47","0.16","293","2","293","2","2590000","50000","2590000","50000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0725","0.0646","","","0.1693","0.1879","","","","","","1.152","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513283","12.7203","0.0007","4.4269","0.0001","16.8699","0.0013","90","","143.284","0.004","90","","567.94","0.08","293","2","293","2","3750000","50000","3750000","50000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0537","0.0452","","","0.1157","0.1312","","","","","","1.099","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513284","12.6524","0.0007","4.4082","0.0001","16.7237","0.0014","90","","143.209","0.004","90","","558.62","0.08","293","2","293","2","4540000","360000","4540000","360000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0603","0.0524","","","0.1371","0.1515","","","","","","1.117","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513285","12.5859","0.0005","4.3845","0.0005","16.5934","0.0009","90","","143.183","0.003","90","","548.73","0.08","293","2","293","2","5140000","70000","5140000","70000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0548","0.0488","","","0.124","0.1348","","","","","","1.105","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513286","12.727","0.01","13.0569","0.0007","16.455","0.017","90","","143.8","0.2","90","","1615","8","293","2","293","2","6080000","50000","6080000","50000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1724","0.1166","","","0.3573","0.4428","","","","","","1.19","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513287","12.655","0.01","12.9892","0.0007","16.282","0.018","90","","143.9","0.2","90","","1577","8","293","2","293","2","7230000","150000","7230000","150000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.188","0.1308","","","0.3774","0.4608","","","","","","1.2","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513288","12.599","0.011","12.9232","0.0007","16.142","0.018","90","","144.1","0.2","90","","1541","8","293","2","293","2","8510000","110000","8510000","110000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.2006","0.1488","","","0.391","0.4672","","","","","","1.277","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513289","12.543","0.01","12.8595","0.0007","16.032","0.018","90","","144.2","0.2","90","","1513","8","293","2","293","2","9600000","70000","9600000","70000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.2265","0.1702","","","0.4161","0.5026","","","","","","1.346","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513290","8.357","0.001","4.0889","0.0002","7.4","0.004","90","","106.9","0.03","90","","241.94","0.14","293","2","293","2","11680000","70000","11680000","70000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1383","0.1179","","","0.3061","0.3373","","","","","","1.18","","","","has coordinates,has disorder","154542","2020-10-21","18:00:00",""
"4513291","8.3494","0.001","4.0797","0.0002","7.388","0.005","90","","106.91","0.03","90","","240.78","0.17","293","2","293","2","11950000","50000","11950000","50000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1184","0.1068","","","0.2565","0.2726","","","","","","1.089","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513292","8.3557","0.0017","4.0829","0.0003","7.385","0.007","90","","107.04","0.05","90","","240.9","0.2","293","2","293","2","11920000","50000","11920000","50000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0784","0.0742","","","0.1966","0.2007","","","","","","1.113","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513293","8.3192","0.0009","4.0286","0.0002","7.298","0.003","90","","106.84","0.03","90","","234.1","0.11","293","2","293","2","14440000","50000","14440000","50000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0943","0.0867","","","0.2291","0.2406","","","","","","1.117","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513294","8.223","0.0007","3.9071","0.0002","7.13","0.003","90","","106.53","0.02","90","","219.61","0.1","293","2","293","2","21160000","110000","21160000","110000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1016","0.0929","","","0.2382","0.245","","","","","","1.107","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513295","8.3873","0.0008","4.136","0.0002","7.49","0.004","90","","107.03","0.03","90","","248.43","0.14","293","2","293","2","9540000","110000","9540000","110000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0754","0.0694","","","0.1846","0.1919","","","","","","1.183","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513296","8.4114","0.0005","4.1895","0.0001","7.614","0.003","90","","107.025","0.019","90","","256.56","0.11","293","2","293","2","7420000","370000","7420000","370000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0874","0.0833","","","0.2236","0.2288","","","","","","1.139","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513297","12.588","0.003","4.3812","0.0002","16.593","0.004","90","","143.199","0.013","90","","548.2","0.3","293","2","293","2","4850000","100000","4850000","100000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.147","0.1208","","","0.3017","0.3232","","","","","","1.291","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513298","12.905","0.003","4.4711","0.0003","17.262","0.006","90","","143.483","0.019","90","","592.7","0.4","293","2","293","2","2310000","180000","2310000","190000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1257","0.1066","","","0.2737","0.3006","","","","","","1.221","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513299","7.9307","0.0006","4.51054","0.00018","8.783","0.005","90","","102.53","0.02","90","","306.7","0.18","293","2","293","2","1300000","50000","1300000","50000","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0966","0.085","","","0.2273","0.2471","","","","","","1.118","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513300","8.029","0.0006","4.57732","0.00016","9.141","0.005","90","","101.65","0.02","90","","329.02","0.18","293","2","293","2","100","1","100","1","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1104","0.1051","","","0.2772","0.2894","","","","","","1.264","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513301","6.7215","0.0009","11.7132","0.0009","11.4928","0.0009","90","","95.001","0.01","90","","901.39","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.7 H8.7 N1.3 -","- C12.7 H8.7 N1.3 -","- C50.8 H34.8 N5.2 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.131","0.0792","","","0.148","0.1705","","","","","","1.131","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513302","9.2838","0.0006","5.9992","0.0004","8.421","0.0006","90","","102.487","0.001","90","","457.92","0.05","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 -","- C14 H10 -","- C28 H20 -","2","0.5","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0695","0.0482","","","0.1264","0.1382","","","","","","1.053","","","","has coordinates","154543","2020-10-21","18:00:00",""
"4513303","11.165","0.002","5.9216","0.0012","13.563","0.003","90","","100.022","0.009","90","","883","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13.02 H9.02 N0.99 -","- C13.01 H9.01 N0.99 -","- C52.04 H36.04 N3.96 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.3245","0.1433","","","0.315","0.388","","","","","","1.053","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513304","6.674","0.012","11.839","0.018","11.516","0.018","90","","93.86","0.03","90","","908","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.86 H8.86 N1.14 -","- C12.855 H8.855 N1.145 -","- C51.42 H35.42 N4.58 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1052","0.0554","","","0.1266","0.1541","","","","","","1.02","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513305","6.7268","0.0006","11.677","0.001","11.489","0.001","90","","95.374","0.002","90","","898.48","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.65 H8.65 N1.36 -","- C12.644 H8.644 N1.356 -","- C50.576 H34.576 N5.424 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0915","0.0519","","","0.1248","0.1487","","","","","","1.032","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513306","7.0842","0.0011","4.982","0.0007","12.617","0.002","90","","103.036","0.016","90","","433.82","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.13 H4.13 N0.87 -","- C6.13 H4.13 N0.87 -","- C24.52 H16.52 N3.48 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1283","0.0764","","","0.1422","0.1736","","","","","","1.026","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513307","11.183","0.005","5.9341","0.0012","13.59","0.004","90","","99.84","0.04","90","","888.6","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N -","- C13 H9 N -","- C52 H36 N4 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.4477","0.2058","","","0.3984","0.5748","","","","","","0.931","","","","has coordinates","154543","2020-10-21","18:00:00",""
"4513308","9.2763","0.0015","5.9882","0.001","8.403","0.0017","90","","102.54","0.02","90","","455.64","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6.99 H4.99 N0.01 -","- C6.99 H4.99 N0.01 -","- C27.96 H19.96 N0.04 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1196","0.0723","","","0.1567","0.199","","","","","","0.948","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513309","7.0733","0.0006","4.9761","0.0005","12.6164","0.0011","90","","103.035","0.009","90","","432.62","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.13 H4.13 N0.87 -","- C6.13 H4.13 N0.87 -","- C24.52 H16.52 N3.48 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0607","0.0505","","","0.1266","0.1352","","","","","","1.163","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513310","7.1057","0.0013","4.9933","0.0007","12.597","0.002","90","","102.771","0.019","90","","435.9","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.2 H4.2 N0.8 -","- C6.2 H4.2 N0.8 -","- C24.8 H16.8 N3.2 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1201","0.0679","","","0.1146","0.137","","","","","","1.088","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513311","7.1465","0.0012","4.9932","0.0008","12.6435","0.0015","90","","102.737","0.014","90","","440.07","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.24 H4.24 N0.75 -","- C6.25 H4.25 N0.75 -","- C25 H17 N3 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1403","0.0838","","","0.1843","0.2248","","","","","","1.047","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513312","11.1747","0.0013","5.9288","0.0007","13.5675","0.0016","90","","99.79","0.004","90","","885.79","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13.05 H9.05 N0.95 -","- C13.05 H9.05 N0.95 -","- C52.2 H36.2 N3.8 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1832","0.0792","","","0.1186","0.148","","","","","","1.012","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513313","9.2627","0.0011","5.9923","0.0006","8.4088","0.0012","90","","102.608","0.014","90","","455.47","0.1","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 -","- C7 H5 -","- C28 H20 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0869","0.0628","","","0.124","0.1487","","","","","","1.096","","","","has coordinates","154543","2020-10-21","18:00:00",""
"4513314","6.6849","0.0008","11.8463","0.0011","11.5162","0.0011","90","","93.874","0.012","90","","909.9","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.84 H8.84 N1.16 -","- C12.84 H8.84 N1.16 -","- C51.36 H35.36 N4.64 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1389","0.0829","","","0.1495","0.1727","","","","","","1.161","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513315","7.0829","0.0017","4.9885","0.0012","12.565","0.003","90","","103.028","0.005","90","","432.53","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.3 H8.3 N1.7 -","- C12.3 H8.3 N1.7 -","- C24.6 H16.6 N3.4 -","2","0.5","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0816","0.0579","","","0.0981","0.1044","","","","","","1.162","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513316","6.7378","0.0008","11.612","0.002","11.4552","0.0015","90","","96.012","0.011","90","","891.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.61 H8.61 N1.39 -","- C12.6 H8.6 N1.4 -","- C50.4 H34.4 N5.6 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1918","0.0734","","","0.1236","0.1724","","","","","","0.984","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513317","7.0768","0.0005","4.9901","0.0004","12.6004","0.001","90","","103.047","0.002","90","","433.48","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.1 H8.1 N1.9 -","- C12.096 H8.096 N1.904 -","- C24.192 H16.192 N3.808 -","2","0.5","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0928","0.0568","","","0.1377","0.1561","","","","","","1.033","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513318","6.7049","0.0008","11.8516","0.001","11.5564","0.0012","90","","94.113","0.01","90","","915.95","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.8 H8.8 N1.2 -","- C12.81 H8.81 N1.19 -","- C51.24 H35.24 N4.76 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1196","0.0723","","","0.1436","0.1716","","","","","","1.087","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513319","9.2981","0.0019","5.9945","0.0018","8.408","0.003","90","","102.5","0.03","90","","457.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13.98 H9.98 N0.02 -","- C13.98 H9.98 N0.02 -","- C27.96 H19.96 N0.04 -","2","0.5","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.2139","0.0948","","","0.1639","0.223","","","","","","1.006","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513320","9.2689","0.0006","5.9954","0.0003","8.4104","0.0006","90","","102.478","0.007","90","","456.33","0.05","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 -","- C7 H5 -","- C28 H20 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0611","0.0521","","","0.1239","0.1332","","","","","","1.117","","","","has coordinates","154543","2020-10-21","18:00:00",""
"4513321","7.1148","0.0007","4.9875","0.0005","12.6219","0.0013","90","","102.96","0.01","90","","436.48","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.2 H4.2 N0.8 -","- C6.2 H4.2 N0.8 -","- C24.8 H16.8 N3.2 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0724","0.058","","","0.1326","0.1487","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513322","9.2837","0.0013","5.9932","0.0008","8.4219","0.0011","90","","102.529","0.015","90","","457.43","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6.97 H4.97 N0.03 -","- C6.97 H4.97 N0.03 -","- C27.88 H19.88 N0.12 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0918","0.0617","","","0.13","0.1585","","","","","","1.035","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513323","17.022","0.0003","30.157","0.0005","18.757","0.0003","90","","112.985","0.001","90","","8864.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 Co9 N56 O28 W6 -","- C124 H75 Co9 N56 O28 W6 -","- C248 H150 Co18 N112 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","x-ray","0.71073","MoKα","","0.0652","0.0517","","","0.1376","0.1586","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513324","16.8892","0.0007","30.019","0.0012","18.7067","0.0009","90","","113.36","0.001","90","","8706.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 Co9 N56 O28 W6 -","- C124 H75 Co9 N56 O28 W6 -","- C248 H150 Co18 N112 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","","0.71075","MoKα","","0.1315","0.0684","","","0.1373","0.1836","","","","","","1.094","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513325","16.831","0.0007","29.8285","0.0011","18.631","0.0008","90","","113.688","0.001","90","","8565.5","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 N56 Ni9 O28 W6 -","- C124 H75 N56 Ni9 O28 W6 -","- C248 H150 N112 Ni18 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","x-ray","0.71075","MoKα","","0.1259","0.0735","","","0.137","0.1631","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513326","19.985","0.002","19.985","0.002","19.985","0.002","90","","90","","90","","7982","1.4","173","2","173","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- B4 H8.52 K2.67 Na1.33 O31.26 P6 V2 -","- B4 K2.66667 Na1.3334 O31.26 P6 V2 -","- B48 K32 Na16.0008 O375.12 P72 V24 -","12","0.5","","Sun, Wei; Huang, Ya-Xi; Nokhrin, Sergiy; Pan, Yuanming; Mi, Jin-Xiao","Hydrothermal Synthesis of Open-Framework Borophosphates with Tunable Micropore Sizes, Crystal Morphologies, and Thermal Stabilities","Crystal Growth & Design","2015","15","8","3594","","10.1021/cg5017438","","","0.71073","MoKα","","0.028","0.0275","","","0.0779","0.0783","","","","","","1.093","","","","has coordinates","154562","2020-10-21","18:00:00",""
"4513327","8.3471","0.0017","20.085","0.004","19.236","0.004","90","","91.51","0.03","90","","3223.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O7 Zn -","- C36 H30 N4 O7 Zn -","- C144 H120 N16 O28 Zn4 -","4","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.2036","0.0781","","","0.1373","0.2025","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513328","9.3717","0.0019","11.209","0.002","12.227","0.002","109.67","0.03","96.74","0.03","96.16","0.03","1186.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N O6 Zn -","- C28 H22 N O6 Zn -","- C56 H44 N2 O12 Zn2 -","2","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.0459","0.0415","","","0.0883","0.0911","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513329","9.1199","0.0018","11.616","0.002","15.685","0.003","96.54","0.03","100.43","0.03","106.4","0.03","1543.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 N2 O6 Zn -","- C35 H30 N2 O6 Zn -","- C70 H60 N4 O12 Zn2 -","2","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.1449","0.081","","","0.1211","0.1424","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513330","9.5318","0.0019","12.49","0.003","14.214","0.003","76.45","0.03","86.68","0.03","83.09","0.03","1632.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H62 N8 O12 Zn -","- C80 H62 N8 O12 Zn -","- C80 H62 N8 O12 Zn -","1","0.5","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.1193","0.0953","","","0.2279","0.2445","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513331","8.7037","0.0017","16.355","0.003","18.856","0.005","90","","115.71","0.02","90","","2418.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N4 O6 Zn -","- C26 H21 N4 O6 Zn -","- C104 H84 N16 O24 Zn4 -","4","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.1064","0.0881","","","0.1666","0.1749","","","","","","1.226","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513332","9.8901","0.0008","11.0011","0.0007","11.9223","0.0011","82.982","0.006","77.657","0.007","65.772","0.007","1154.71","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N2 O6 Zn -","- C25 H23 N2 O6 Zn -","- C50 H46 N4 O12 Zn2 -","2","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.0376","0.0325","","","0.0763","0.0796","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513333","9.8893","0.0009","12.2772","0.0011","15.8563","0.0016","75.014","0.008","76.456","0.008","82.337","0.007","1802.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N4 O11 Zn -","- C42 H30 N4 O11 Zn -","- C84 H60 N8 O22 Zn2 -","2","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.1559","0.0747","","","0.1374","0.1769","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513334","7.02064","0.00013","8.77851","0.00023","13.10841","0.00022","96.8928","0.0014","90.8323","0.0017","115.464","0.0018","722.15","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","Theophylline 4-aminobenzoic acid cocrystal","","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C28 H30 N10 O8 -","2","1","","Fernandes, José A.; Sardo, Mariana; Mafra, Luís; Choquesillo-Lazarte, Duane; Masciocchi, Norberto","X-ray and NMR Crystallography Studies of Novel Theophylline Cocrystals Prepared by Liquid Assisted Grinding","Crystal Growth & Design","2015","15","8","3674","","10.1021/acs.cgd.5b00279","powder diffraction","","1.5418","CuKa","","","","","","","","","","14.3","","","","","","","has coordinates","154554","2020-10-21","18:00:00",""
"4513335","10.4505","0.0005","12.4248","0.0005","17.995","0.0008","90","","99.758","0.003","90","","2302.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N9 O7 -","- C21 H23 N9 O7 -","- C84 H92 N36 O28 -","4","1","","Fernandes, José A.; Sardo, Mariana; Mafra, Luís; Choquesillo-Lazarte, Duane; Masciocchi, Norberto","X-ray and NMR Crystallography Studies of Novel Theophylline Cocrystals Prepared by Liquid Assisted Grinding","Crystal Growth & Design","2015","15","8","3674","","10.1021/acs.cgd.5b00279","","","1.54178","CuKα","","0.0625","0.0461","","","0.1141","0.1244","","","","","","1.034","","","","has coordinates","154554","2020-10-21","18:00:00",""
"4513336","4.8741","0.0002","31.8905","0.001","8.1176","0.0006","90","","104.153","0.007","90","","1223.48","0.12","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(3-bromo-2-methylphenyl)anthranilic acid","N-(3-bromo-2-methylphenyl)anthranilic acid","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0968","0.0823","","","0.2215","0.2419","","","","","","1.024","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513337","3.8903","0.0001","22.1951","0.0004","14.3302","0.001","90","","94.991","0.007","90","","1232.66","0.1","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54178","CuKα","","0.0371","0.0339","","","0.0858","0.0892","","","","","","1.137","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513338","11.3655","0.0011","7.6045","0.0006","29.54","0.002","90","","95.385","0.007","90","","2541.8","0.4","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-(3-bromo-2-methylphenyl)anthranilic acid","N-(3-bromo-2-methylphenyl)anthranilic acid","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C112 H96 Br8 N8 O16 -","8","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.1324","0.0857","","","0.1785","0.2109","","","","","","1.031","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513339","3.8066","0.0001","11.1261","0.0003","13.2491","0.0009","91.314","0.006","90.823","0.006","97.691","0.007","555.85","0.04","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C26 H20 Cl2 N2 O4 -","2","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0779","0.064","","","0.1827","0.1935","","","","","","1.157","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513340","4.0009","0.0001","8.6998","0.0002","16.337","0.0012","101.9","0.007","92.486","0.007","97.827","0.007","549.74","0.05","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C26 H20 Cl2 N2 O4 -","2","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0478","0.0429","","","0.1161","0.1204","","","","","","1.148","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513341","8.7028","0.0001","17.8022","0.0003","23.3691","0.0016","105.718","0.007","91.757","0.007","103.664","0.007","3369.1","0.3","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C156 H120 Cl12 N12 O24 -","12","6","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.1436","0.0458","","","0.1072","0.131","","","","","","0.966","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513342","11.7458","0.0003","7.41756","0.00013","26.4949","0.0005","90","","100.327","0.001","90","","2270.98","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0392","0.0368","","","0.1001","0.1018","","","","","","1.082","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513343","7.1535","0.0005","25.0556","0.0016","7.3743","0.001","90","","118.367","0.006","90","","1163","0.2","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-methylphenyl)anthranilic acid","N-(2-methylphenyl)anthranilic acid","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0782","0.0636","","","0.1623","0.179","","","","","","1.164","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513344","3.8698","0.0001","11.1898","0.0005","13.2866","0.0009","90.577","0.006","91.09","0.006","98.171","0.007","569.35","0.05","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C26 H20 Br2 N2 O4 -","2","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.1432","0.1177","","","0.2744","0.3094","","","","","","0.995","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513345","8.947","0.006","10.051","0.003","11.786","0.003","103.92","0.05","93.69","0.03","117.43","0.03","894","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-methyl-3,4-diphenyl-2,3,3a,4-tetrahydro- chromeno[4,3-c]pyrazole","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","0.6","synchrotron","","0.0416","0.037","","","0.0928","0.0961","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513346","8.9469","0.0003","12.4892","0.0005","16.8658","0.0007","100.516","0.004","90.244","0.003","91.525","0.003","1852.19","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(2-Methyl-4-phenyl-2,3,3a,4-tetrahydro-chromeno[4,3-c]pyrazol-3-yl)-benzonitrile","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","2","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","x-ray","1.54184","CuKα","","0.0449","0.0396","","","0.0992","0.1042","","","","","","1.041","","","","has coordinates","154565","2020-10-21","18:00:00",""
"4513347","5.9801","0.0001","21.5852","0.0006","30.3091","0.0009","90","","90","","90","","3912.35","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Methyl-4-phenyl-2,3,3a,4-terahydro-chromeno[4,3-c]pyrazol-3-yl)-phenol","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","1.54184","CuKα","","0.0435","0.0354","","","0.0909","0.0976","","","","","","0.945","","","","has coordinates","154565","2020-10-21","18:00:00",""
"4513348","8.882","0.001","10.347","0.001","12.847","0.003","112.895","0.001","107.41","0.03","68.403","0.001","994.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3-(4-chloro-phenyl)-2-methyl-4-phenyl-2,3,3a,4-tetrahydro-chromeno [4,3-c]pyrazole","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C46 H38 Cl2 N4 O2 -","2","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","0.6","synchrotron","","0.04","0.037","","","0.0956","0.0979","","","","","","1.023","","","","has coordinates","154565","2020-10-21","18:00:00",""
"4513349","11.7963","0.0003","6.181","0.0002","25.7363","0.0007","90","","100.795","0.002","90","","1843.3","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-3,4-diphenyl-2,3,3a,4-tetrahydro-chromeno [4,3-c]pyrazol-8-ol","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","0.71073","MoKα","","0.0811","0.0392","","","0.0747","0.0817","","","","","","0.841","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513350","9.1712","0.0005","10.0227","0.0008","12.0716","0.0006","92.457","0.005","93.992","0.004","116.765","0.007","984.9","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-(4-bromo-phenyl)-2-methyl-4phenyl-2,3,3a,4-tetrahydro-chromeno [4,30c]pyrazole","","- C23 H19 Br N2 O -","- C23 H19 Br N2 O -","- C46 H38 Br2 N4 O2 -","2","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","0.71073","MoKα","","0.0288","0.0257","","","0.0712","0.0716","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513351","5.3387","0.0019","7.7592","0.0012","20.428","0.005","82.056","0.017","87.16","0.02","79.09","0.02","822.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H29 Cl N2 O -","- C14 H29 Cl N2 O -","- C28 H58 Cl2 N4 O2 -","2","1","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0924","0.0692","","","0.2","0.2173","","","","","","1.122","","","","has coordinates","154573","2020-10-21","18:00:00",""
"4513352","5.3607","0.0002","7.7232","0.0002","20.4674","0.0006","82.1449","0.0012","87.2216","0.0012","78.9156","0.0012","823.56","0.04","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H29 Cl N2 O -","- C14 H29 Cl N2 O -","- C28 H58 Cl2 N4 O2 -","2","1","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.051","0.0372","","","0.0918","0.1003","","","","","","1.037","","","","has coordinates,has disorder","154573","2020-10-21","18:00:00",""
"4513353","7.2807","0.0002","8.471","0.0002","43.0059","0.0011","85.046","0.0013","89.8188","0.0014","70.9453","0.0013","2496.8","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28.62 Cl N2 O0.95 -","- C14 H28.3333 Cl N2 O0.95 -","- C84 H170 Cl6 N12 O5.7 -","6","3","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.073","0.0531","","","0.1315","0.145","","","","","","1.027","","","","has coordinates,has disorder","154573","2020-10-21","18:00:00",""
"4513354","7.344","0.006","8.508","0.007","43.39","0.04","84.77","0.05","89.32","0.05","70.73","0.05","2548","4","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28.63 Cl N2 O0.97 -","- C14 H28.3333 Cl N2 O0.966667 -","- C84 H170 Cl6 N12 O5.8 -","6","3","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0996","0.0499","","","0.1037","0.1231","","","","","","0.998","","","","has coordinates,has disorder","154573","2020-10-21","18:00:00",""
"4513355","7.3494","0.0005","8.4551","0.0005","42.735","0.007","83.125","0.009","89","0.009","69.871","0.004","2474.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Cl N2 O0.5 -","- C14 H27 Cl N2 O0.5 -","- C84 H162 Cl6 N12 O3 -","6","3","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0939","0.0682","","","0.1771","0.206","","","","","","1.069","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513356","7.3264","0.0018","8.371","0.002","42.879","0.016","82.9","0.007","89.106","0.011","69.909","0.008","2449.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H27.93 Cl N2 O0.47 -","- C14 H27 Cl N2 O0.483333 -","- C84 H162 Cl6 N12 O2.9 -","6","3","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.56085","AgKα","","0.1725","0.148","","","0.2968","0.3127","","","","","","1.169","","","","has coordinates,has disorder","154573","2020-10-21","18:00:00",""
"4513357","5.3513","0.0005","7.2152","0.0008","22.706","0.005","83.711","0.014","89.209","0.013","82.429","0.007","863.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H33 Cl N2 O3 -","- C14 H33 Cl N2 O3 -","- C28 H66 Cl2 N4 O6 -","2","1","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0747","0.0463","","","0.0942","0.1065","","","","","","1.078","","","","has coordinates","154573","2020-10-21","18:00:00",""
"4513358","5.2844","0.0005","7.0547","0.0004","22.364","0.002","83.949","0.006","88.487","0.007","83.478","0.006","823.63","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H33 Cl N2 O3 -","- C14 H33 Cl N2 O3 -","- C28 H66 Cl2 N4 O6 -","2","1","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0737","0.0494","","","0.1206","0.1433","","","","","","1.107","","","","has coordinates","154573","2020-10-21","18:00:00",""
"4513359","7.8532","0.0004","18.8955","0.0008","22.8742","0.001","90","","90","","90","","3394.3","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H42.5 Cl2 Cu2 N6 O10.5 -","- C21 H42.5 Cl2 Cu2 N6 O10.5 -","- C84 H170 Cl8 Cu8 N24 O42 -","4","1","","Das, Lakshmi Kanta; Diaz, Carmen; Ghosh, Ashutosh","Antiferromagnetic Mixed-Valence Cu(I)‒Cu(II) Two-Dimensional Coordination Polymers Constructed by Double Oximato Bridged Cu(II) Dimers and CuISCN Based One-Dimensional Anionic Chains","Crystal Growth & Design","2015","15","8","3939","","10.1021/acs.cgd.5b00560","","","0.71073","MoKα","","0.0774","0.0631","","","0.181","0.1922","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513360","10.1247","0.0003","10.3908","0.0003","10.4233","0.0006","96.318","0.002","102.64","0.002","115.983","0.001","934.96","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Cu6 N12 O2 S6 -","- C22 H32 Cu6 N12 O2 S6 -","- C22 H32 Cu6 N12 O2 S6 -","1","0.5","","Das, Lakshmi Kanta; Diaz, Carmen; Ghosh, Ashutosh","Antiferromagnetic Mixed-Valence Cu(I)‒Cu(II) Two-Dimensional Coordination Polymers Constructed by Double Oximato Bridged Cu(II) Dimers and CuISCN Based One-Dimensional Anionic Chains","Crystal Growth & Design","2015","15","8","3939","","10.1021/acs.cgd.5b00560","","","0.71073","MoKα","","0.0322","0.0274","","","0.0753","0.0778","","","","","","1.073","","","","has coordinates","154560","2020-10-21","18:00:00",""
"4513361","11.7972","0.0006","13.8115","0.0007","10.667","0.0005","90","","98.116","0.002","90","","1720.64","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cu4 N10 O2 S4 -","- C24 H40 Cu4 N10 O2 S4 -","- C48 H80 Cu8 N20 O4 S8 -","2","0.5","","Das, Lakshmi Kanta; Diaz, Carmen; Ghosh, Ashutosh","Antiferromagnetic Mixed-Valence Cu(I)‒Cu(II) Two-Dimensional Coordination Polymers Constructed by Double Oximato Bridged Cu(II) Dimers and CuISCN Based One-Dimensional Anionic Chains","Crystal Growth & Design","2015","15","8","3939","","10.1021/acs.cgd.5b00560","","","0.71073","MoKα","","0.0507","0.0381","","","0.0961","0.1022","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513362","10.371","0.002","10.371","0.002","10.371","0.002","90","","90","","90","","1115.5","0.4","293","2","293","2","7710000","80000","7710000","80000","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- As4 He2 O6 -","- As4 He2 O6 -","- As32 He16 O48 -","8","","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.1087","0.0884","","","0.171","0.1826","","","","","","1.164","","","","has coordinates","154563","2020-10-21","18:00:00",""
"4513363","9.941","0.003","9.941","0.003","9.941","0.003","90","","90","","90","","982.4","0.5","293","2","293","2","17590000","50000","17590000","50000","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- As4 He2 O6 -","- As4 He2 O6 -","- As32 He16 O48 -","8","","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0965","0.0839","","","0.2486","0.2562","","","","","","1.226","","","","has coordinates","154563","2020-10-21","18:00:00",""
"4513364","9.633","0.003","9.633","0.003","9.633","0.003","90","","90","","90","","893.9","0.5","293","2","293","2","29830000","50000","29830000","50000","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- As4 He2 O6 -","- As4 He2 O6 -","- As32 He16 O48 -","8","","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0908","0.0717","","","0.2036","0.2212","","","","","","1.268","","","","has coordinates","154563","2020-10-21","18:00:00",""
"4513365","22.4474","0.001","15.6808","0.0008","17.7412","0.0014","90","","106.672","0.007","90","","5982.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 Cd N12 O14.5 -","- C52 H42 Cd N12 O14.5 -","- C208 H168 Cd4 N48 O58 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71073","MoKα","","0.1146","0.0744","","","0.1947","0.2387","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513366","21.6645","0.0007","16.7527","0.0005","19.1286","0.0008","90","","112.582","0.004","90","","6410.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 Cd N14 O16 -","- C62 H58 Cd N14 O16 -","- C248 H232 Cd4 N56 O64 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71073","MoKα","","0.0834","0.0558","","","0.1497","0.1695","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513367","21.6201","0.001","16.8333","0.0006","19.1726","0.0008","90","","112.705","0.005","90","","6436.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64.5 Cd N14 O15.5 -","- C62 H56 Cd N14 O16.5 -","- C248 H224 Cd4 N56 O66 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71073","MoKα","","0.1499","0.0781","","","0.197","0.2544","","","","","","1.012","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513368","15.456","0.002","33.898","0.004","17.976","0.004","90","","96.038","0.018","90","","9366","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Cd N6 O9.5 -","- C40 H29 Cd N6 O9.5 -","- C320 H232 Cd8 N48 O76 -","8","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71073","MoKα","","0.183","0.0885","","","0.2303","0.3097","","","","","","0.967","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513369","20.425","0.0007","16.723","0.0009","16.362","0.001","90","","102.987","0.005","90","","5445.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H55 N13 O13 Zn -","- C55 H42 N13 O14 Zn -","- C220 H168 N52 O56 Zn4 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71069","MoKα","","0.1399","0.0883","","","0.237","0.2795","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513370","22.686","0.005","16.143","0.005","18.092","0.005","90","0.005","108.233","0.005","90","0.005","6293","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 Cd0.14 Cu0.87 N12 O14.5 -","- C52 H42 Cd0.13 Cu0.87 N12 O15.5 -","- C208 H168 Cd0.52 Cu3.48 N48 O62 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71069","MoKα","","0.1537","0.1004","","","0.2536","0.2988","","","","","","1.186","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513371","24.5191","0.0013","24.5191","0.0013","24.5191","0.0013","90","","90","","90","","14740.5","1.4","183","2","183","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C16 H96.2 O30.6 P -","- C16 H60 O30.608 P -","- C192 H720 O367.296 P12 -","12","0.25","","Kobori, Takayuki; Muromachi, Sanehiro; Yamasaki, Tatsuro; Takeya, Satoshi; Yamamoto, Yoshitaka; Alavi, Saman; Ohmura, Ryo","Phase Behavior and Structural Characterization of Ionic Clathrate Hydrate Formed with Tetra-n-butylphosphonium Hydroxide: Discovery of Primitive Crystal Structure","Crystal Growth & Design","2015","15","8","3862","","10.1021/acs.cgd.5b00484","","","0.7107","MoKα","","0.0734","0.0662","","","0.1883","0.2075","","","","","","1.079","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513372","20.3925","0.0016","30.31","0.002","19.4127","0.0015","90","","104.241","0.001","90","","11630.2","1.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C124 H154 O31 -","- C124 H152 O31 -","- C496 H608 O124 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Selective Complexation in Three Component Cocrystals Composed of Pyrogallol[4]arene and Fluorescent Probes Pyrene and 1-(2-Pyridylazo)-2-naphthol","Crystal Growth & Design","2015","15","8","3992","","10.1021/acs.cgd.5b00609","","","0.71073","MoKα","","0.1466","0.0707","","","0.181","0.2287","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513373","19.858","0.002","20.88","0.003","22.297","0.003","90.84","0.002","114.042","0.002","105.603","0.002","8050.4","1.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C183 H224 O29 -","- C183 H224 O29 -","- C366 H448 O58 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Selective Complexation in Three Component Cocrystals Composed of Pyrogallol[4]arene and Fluorescent Probes Pyrene and 1-(2-Pyridylazo)-2-naphthol","Crystal Growth & Design","2015","15","8","3992","","10.1021/acs.cgd.5b00609","","","0.71073","MoKα","","0.1459","0.0959","","","0.2689","0.3158","","","","","","1.048","","","","has coordinates,has disorder","154566","2020-10-21","18:00:00",""
"4513374","16.9687","0.0007","20.0883","0.0009","22.4387","0.001","101.325","0.003","90.098","0.003","95.339","0.003","7465.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C170 H199 N6 O30 -","- C169.998 H199 N6 O30 -","- C339.996 H398 N12 O60 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Selective Complexation in Three Component Cocrystals Composed of Pyrogallol[4]arene and Fluorescent Probes Pyrene and 1-(2-Pyridylazo)-2-naphthol","Crystal Growth & Design","2015","15","8","3992","","10.1021/acs.cgd.5b00609","","","1.54178","CuKα","","0.1494","0.1167","","","0.3195","0.3499","","","","","","1.325","","","","has coordinates,has disorder","154566","2020-10-21","18:00:00",""
"4513375","14.55","0.17","5.47","0.08","17.4","0.2","90","","90","","89","1.2","1385","3","300","","300","","","","","","","","","4","P 1 1 21","P 2c","4","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba8 Mo16 O72 Te8 -","8","4","","Yu, Dehong; Sun, Dehui; Avdeev, Maxim; Wu, Qian; Tian, Xiangxin; Gu, Qinfen; Tao, Xutang","New High-Pressure Polymorph of the Nonlinear Optical Crystal BaTeMo2O9","Crystal Growth & Design","2015","15","7","3110","","10.1021/acs.cgd.5b00421","powder diffraction","","0.6205","","","","","","","","","","","89.76","","","","","","","has coordinates","140962","2020-10-21","18:00:00",""
"4513376","13.719","0.006","14.024","0.007","16.39","0.008","67.008","0.008","76.671","0.008","84.904","0.009","2825","2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H63 N5 Nb6 O25 -","- C20 H63 N5 Nb6 O25 -","- C40 H126 N10 Nb12 O50 -","2","1","","Fullmer, Lauren B.; Mansergh, Ryan H.; Zakharov, Lev N.; Keszler, Douglas A.; Nyman, May","Nb2O5and Ta2O5Thin Films from Polyoxometalate Precursors: A Single Proton Makes a Difference","Crystal Growth & Design","2015","15","8","3885","","10.1021/acs.cgd.5b00508","","","","","","0.135","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513377","39.58","0.004","39.58","0.004","27.445","0.005","90","","90","","90","","42995","10","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C48 H22 Cu2 O12 -","- C48 H22 Cu2 O12 -","- C384 H176 Cu16 O96 -","8","0.25","","Cai, Jianfeng; Yu, Jiancan; Wang, Hailong; Duan, Xing; Zhang, Qi; Wu, Chuande; Cui, Yuanjing; Yu, Yang; Wang, Zhiyu; Chen, Banglin; Qian, Guodong","A Noninterpenetrated Metal‒Organic Framework Built from an Enlarged Tetracarboxylic Acid for Small Hydrocarbon Separation","Crystal Growth & Design","2015","15","8","4071","","10.1021/acs.cgd.5b00675","","","0.71073","MoKα","","0.1712","0.0529","","","0.1434","0.1964","","","","","","0.975","","","","has coordinates","154547","2020-10-21","18:00:00",""
"4513378","13.0675","0.0007","11.2831","0.0008","19.3721","0.0014","90","","90.518","0.005","90","","2856.1","0.3","90","1","90","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 O -","- C11 H18 O -","- C132 H216 O12 -","12","3","","Hassine, Bacem Ben; Negrier, Philippe; Barrio, María; Mondieig, Denise; Massip, Stéphane; Tamarit, Josep Ll.","Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol","Crystal Growth & Design","2015","15","8","4149","","10.1021/acs.cgd.5b00764","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513379","20.4409","0.0014","11.9176","0.0014","14.9473","0.0011","90","","90","","90","","3641.3","0.6","139","","139","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C80 H40 N24 O32 Zn8 -","8","1","","Chen, Di-Ming; Ma, Xiao-Zhou; Shi, Wei; Cheng, Peng","Solvent-Induced Topological Diversity of Two Zn(II) Metal‒Organic Frameworks and High Sensitivity in Recyclable Detection of Nitrobenzene","Crystal Growth & Design","2015","15","8","3999","","10.1021/acs.cgd.5b00614","","","0.71073","MoKα","","0.0797","0.0549","","","0.1716","0.1866","","","","","","1.042","","","","has coordinates","154568","2020-10-21","18:00:00",""
"4513380","10.9484","0.0003","12.106","0.0004","14.7728","0.0005","90","","109.791","0.003","90","","1842.35","0.11","127.5","0.14","127.5","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Chen, Di-Ming; Ma, Xiao-Zhou; Shi, Wei; Cheng, Peng","Solvent-Induced Topological Diversity of Two Zn(II) Metal‒Organic Frameworks and High Sensitivity in Recyclable Detection of Nitrobenzene","Crystal Growth & Design","2015","15","8","3999","","10.1021/acs.cgd.5b00614","","","0.71073","MoKα","","0.0596","0.055","","","0.14","0.1421","","","","","","1.149","","","","has coordinates","154568","2020-10-21","18:00:00",""
"4513381","14.441","0.003","10.325","0.002","8.9596","0.0018","90","","96.25","0.03","90","","1328","0.5","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C26 H18 N10 O4 Zn2 -","- C26 H18 N10 O4 Zn2 -","- C52 H36 N20 O8 Zn4 -","2","1","","Liu, Dong-Sheng; Sui, Yan; Chen, Wen-Tong; Feng, Pingyun","Two New Nonlinear Optical and Ferroelectric Zn(II) Compounds Based on Nicotinic Acid and Tetrazole Derivative Ligands","Crystal Growth & Design","2015","15","8","4020","","10.1021/acs.cgd.5b00637","","","0.71073","MoKα","","0.0444","0.0399","","","0.0806","0.0952","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513382","9.912","0.002","12.884","0.003","14.024","0.003","90","","90","","90","","1791","0.7","298","2","298","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C28 H26 N12 O11 Zn4 -","- C28 H26 N12 O11 Zn4 -","- C56 H52 N24 O22 Zn8 -","2","0.25","","Liu, Dong-Sheng; Sui, Yan; Chen, Wen-Tong; Feng, Pingyun","Two New Nonlinear Optical and Ferroelectric Zn(II) Compounds Based on Nicotinic Acid and Tetrazole Derivative Ligands","Crystal Growth & Design","2015","15","8","4020","","10.1021/acs.cgd.5b00637","","","0.71073","MoKα","","0.0278","0.0275","","","0.0754","0.0758","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513388","10.8994","0.0008","13.982","0.0011","18.0745","0.0015","90","","103.637","0.002","90","","2676.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N8 O5 -","- C26 H32 N8 O5 -","- C104 H128 N32 O20 -","4","1","","Chi, Yingnan; Xu, Wenting; Yang, Yan; Yang, Zhichao; Lv, Hongjin; Yang, Song; Lin, Zhengguo; Li, Jikun; Gu, Jingkai; Hill, Craig L.; Hu, Changwen","Three Candesartan Salts with Enhanced Oral Bioavailability","Crystal Growth & Design","2015","15","8","3707","","10.1021/acs.cgd.5b00297","","","0.71073","MoKα","","0.146","0.0668","","","0.1274","0.1413","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513389","10.8701","0.0009","14.2382","0.0012","18.8214","0.0016","90","","106.714","0.002","90","","2789.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N8 O5 -","- C27 H34 N8 O5 -","- C108 H136 N32 O20 -","4","1","","Chi, Yingnan; Xu, Wenting; Yang, Yan; Yang, Zhichao; Lv, Hongjin; Yang, Song; Lin, Zhengguo; Li, Jikun; Gu, Jingkai; Hill, Craig L.; Hu, Changwen","Three Candesartan Salts with Enhanced Oral Bioavailability","Crystal Growth & Design","2015","15","8","3707","","10.1021/acs.cgd.5b00297","","","0.71073","MoKα","","0.1577","0.0645","","","0.1621","0.2043","","","","","","0.971","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513390","31.235","0.009","11.605","0.002","13.897","0.003","90","","115.15","0.03","90","","4560","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N7 O3 -","- C24 H23 N7 O3 -","- C192 H184 N56 O24 -","8","1","","Chi, Yingnan; Xu, Wenting; Yang, Yan; Yang, Zhichao; Lv, Hongjin; Yang, Song; Lin, Zhengguo; Li, Jikun; Gu, Jingkai; Hill, Craig L.; Hu, Changwen","Three Candesartan Salts with Enhanced Oral Bioavailability","Crystal Growth & Design","2015","15","8","3707","","10.1021/acs.cgd.5b00297","","","0.71073","MoKα","","0.0964","0.0688","","","0.2072","0.2327","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513392","10.3943","0.0008","7.7222","0.0005","11.8976","0.001","90","","112.922","0.01","90","","879.57","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C42 H36 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.038","0.0348","","","0.085","0.0878","","","","","","1.037","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513393","6.7394","0.0003","7.9886","0.0003","13.3084","0.001","90","","94.308","0.005","90","","714.48","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0628","0.0505","","","0.1105","0.1178","","","","","","1.047","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513394","6.8172","0.0008","7.9216","0.0009","12.594","0.002","90","","103.04","0.016","90","","662.58","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C30 H26 F2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0483","0.0427","","","0.1127","0.1179","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513395","6.7343","0.0004","8.0362","0.0004","12.9186","0.0007","90","","100.314","0.006","90","","687.83","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C30 H26 Cl2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0329","0.0307","","","0.0782","0.0801","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513396","6.7098","0.0004","8.0495","0.0004","13.1003","0.0008","90","","98.867","0.006","90","","699.1","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C30 H26 Br2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.052","0.0446","","","0.1099","0.1178","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513397","6.7108","0.0004","7.9363","0.0004","13.241","0.0008","90","","98.269","0.006","90","","697.87","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C30 H26 N6 O6 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.045","0.0397","","","0.0924","0.0967","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513398","6.974","0.0003","7.8282","0.0003","12.5581","0.0006","90","","105.511","0.005","90","","660.63","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C30 H26 F2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0324","0.0303","","","0.0753","0.0773","","","","","","0.95","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513399","6.9705","0.0003","7.7622","0.0004","25.4745","0.0012","90","","90","","90","","1378.33","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0392","0.035","","","0.0773","0.08","","","","","","1.072","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513400","7.0276","0.0004","7.7445","0.0005","25.6078","0.0013","90","","90","","90","","1393.71","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0481","0.036","","","0.0834","0.0898","","","","","","0.964","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513401","7.1806","0.0006","7.7128","0.0007","25.267","0.002","90","","90","","90","","1399.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.063","0.0422","","","0.0822","0.0965","","","","","","1.035","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513402","5.1707","0.0005","13.2714","0.0012","20.434","0.002","90","","90","","90","","1402.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0684","0.0474","","","0.0943","0.1043","","","","","","1.069","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513403","5.2563","0.0005","9.7698","0.0012","26.617","0.003","90","","90","","90","","1366.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","x-ray","0.71073","MoKα","","0.0937","0.0653","","","0.1008","0.1095","","","","","","1.126","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513404","5.1883","0.0006","9.8853","0.001","27.403","0.003","90","","90","","90","","1405.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","x-ray","0.71073","MoKα","","0.0624","0.0451","","","0.1012","0.1121","","","","","","0.898","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513405","20.316","0.0018","5.205","0.0003","13.5364","0.0014","90","","114.387","0.012","90","","1303.7","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C60 H52 F4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0406","0.0351","","","0.0854","0.0904","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513406","18.549","0.003","13.827","0.002","5.3162","0.0007","90","","90","","90","","1363.5","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0512","0.0448","","","0.1147","0.1213","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513407","5.4131","0.0002","13.2515","0.0006","18.5144","0.0009","90","","90","","90","","1328.07","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0418","0.0358","","","0.0995","0.1055","","","","","","1.064","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513408","5.2034","0.0001","9.7982","0.0002","26.4764","0.0005","90","","90","","90","","1349.87","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0334","0.0317","","","0.0825","0.084","","","","","","1.058","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513409","5.26","0.0003","9.7112","0.0005","26.707","0.002","90","","90","","90","","1364.22","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0517","0.0379","","","0.0768","0.0822","","","","","","1.004","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513410","5.232","0.0004","13.79","0.0013","18.6379","0.0017","90","","90","","90","","1344.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0544","0.0509","","","0.1474","0.1502","","","","","","1.171","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513411","8.2225","0.0004","5.7932","0.0003","14.5687","0.0006","90","","90.377","0.004","90","","693.96","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C32 H32 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0321","0.0309","","","0.0802","0.0813","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513412","8.3299","0.0003","5.7214","0.0002","17.5391","0.0005","90","","91.143","0.003","90","","835.72","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C42 H36 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0352","0.0329","","","0.0873","0.0892","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513413","8.6581","0.0007","5.1375","0.0003","15.7993","0.001","90","","100.982","0.007","90","","689.9","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0478","0.0427","","","0.1119","0.1221","","","","","","0.956","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513414","25.096","0.002","5.6957","0.0004","20.3318","0.0015","90","","107.199","0.006","90","","2776.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0411","0.0362","","","0.0942","0.0989","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513417","13.0395","0.0003","17.6175","0.0004","8.4419","0.0002","90","","104.56","0.002","90","","1877.02","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N7 O3 -","- C20 H19 N7 O3 -","- C80 H76 N28 O12 -","4","1","","Li, Ai-Yan; Xu, Lin-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Solubility and Dissolution Rate Enhancement of Triamterene by a Cocrystallization Method","Crystal Growth & Design","2015","15","8","3785","","10.1021/acs.cgd.5b00439","","","1.54178","CuKα","","0.0551","0.0409","","","0.0932","0.1013","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513418","6.7826","0.0007","8.4877","0.0009","17.628","0.002","78.261","0.01","89.201","0.01","86.338","0.009","991.57","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N8 O4 S -","- C19 H18 N8 O4 S -","- C38 H36 N16 O8 S2 -","2","1","","Li, Ai-Yan; Xu, Lin-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Solubility and Dissolution Rate Enhancement of Triamterene by a Cocrystallization Method","Crystal Growth & Design","2015","15","8","3785","","10.1021/acs.cgd.5b00439","","","1.54178","CuKα","","0.077","0.0494","","","0.112","0.1326","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513419","10.2394","0.0003","37.7863","0.001","10.0731","0.0003","90","","97.144","0.001","90","","3867.12","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N2 O14 Pb2 -","- C42 H42 N2 O14 Pb2 -","- C168 H168 N8 O56 Pb8 -","4","1","","Lee, Eunji; Kim, Younghoon; Heo, Jungseok; Park, Ki-Min","3D Metal‒Organic Framework Based on a Lower-Rim Acid-Functionalized Calix[4]arene: Crystal-to-Crystal Transformation upon Lattice Solvent Removal","Crystal Growth & Design","2015","15","8","3556","","10.1021/acs.cgd.5b00746","","","0.71073","MoKα","","0.0384","0.0314","","","0.0791","0.0817","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513420","17.6121","0.0016","36.855","0.003","10.0608","0.0009","90","","92.548","0.005","90","","6523.9","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H56 O24 Pb4 -","- C72 H56 O24 Pb4 -","- C288 H224 O96 Pb16 -","4","1","","Lee, Eunji; Kim, Younghoon; Heo, Jungseok; Park, Ki-Min","3D Metal‒Organic Framework Based on a Lower-Rim Acid-Functionalized Calix[4]arene: Crystal-to-Crystal Transformation upon Lattice Solvent Removal","Crystal Growth & Design","2015","15","8","3556","","10.1021/acs.cgd.5b00746","","","0.71073","MoKα","","0.2525","0.197","","","0.4201","0.4447","","","","","","1.147","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513421","12.8995","0.0005","18.6577","0.0008","7.1839","0.0003","90","","90","","90","","1728.99","0.12","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","diaqua 4,4-bipyridyl-dicyanoacetatocobalt(II)","","- C16 H16 Co N4 O6 -","- C16 H16 Co N4 O6 -","- C64 H64 Co4 N16 O24 -","4","0.5","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.029","0.0258","","","0.0743","0.0766","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513422","4.8966","0.0001","13.378","0.0004","17.6679","0.0005","90","","101.794","0.001","90","","1132.93","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di(mu-cyanoacetato)-mu-pyrazinecopper(II)","","- C10 H8 Cu N4 O4 -","- C10 H8 Cu N4 O4 -","- C40 H32 Cu4 N16 O16 -","4","1","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.0731","0.0567","","","0.1378","0.1488","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513423","12.7963","0.0012","18.0945","0.0017","7.4363","0.0007","90","","90","","90","","1721.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","diaqua(4,4-bipyridyl)dicyanoacetatocopper(II)","","- C16 H16 Cu N4 O6 -","- C16 H16 Cu N4 O6 -","- C64 H64 Cu4 N16 O24 -","4","0.5","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.0395","0.0347","","","0.0921","0.0958","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513424","9.6394","0.0007","10.0132","0.0007","10.2337","0.0007","97.073","0.002","91.002","0.002","117.107","0.001","869.55","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di(mu-cyanoacetato)(1,2-di(4-pyridyl)ethylene)copper(II)","","- C18 H14 Cu N4 O4 -","- C18 H14 Cu N4 O4 -","- C36 H28 Cu2 N8 O8 -","2","1","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.0625","0.0467","","","0.1001","0.1064","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513425","23.9507","0.0012","11.7986","0.0006","14.5996","0.0008","90","","110.044","0.001","90","","3875.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","di(mu-cyanoacetato)(1,2-di(4-pyridyl)ethylene)copper(II)monohydrate","","- C18 H14 Cu N4 O5 -","- C18 H14 Cu N4 O5 -","- C144 H112 Cu8 N32 O40 -","8","1","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.0405","0.0322","","","0.082","0.0864","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513426","8.1148","0.0003","10.2084","0.0003","12.339","0.0004","105.745","0.001","95.226","0.001","110.908","0.001","898.72","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di(mu-cyanoacetato)(1,2-bis(4-pyridyl)ethane)copper(II)","","- C18 H16 Cu N4 O4 -","- C18 H16 Cu N4 O4 -","- C36 H32 Cu2 N8 O8 -","2","1","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.042","0.0331","","","0.0837","0.0882","","","","","","1.056","","","","has coordinates","154546","2020-10-21","18:00:00",""
"4513427","15.749","0.002","9.2252","0.0015","12.014","0.0018","90","","102.969","0.013","90","","1701","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Cl4 Cu2 N2 -","- C10 H8 Br2 Cl4 Cu2 N2 -","- C40 H32 Br8 Cl16 Cu8 N8 -","4","0.5","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan; Turnbull, Mark M.; Landee, Christopher P.","Dual Behavior of Bromine Atoms in Supramolecular Chemistry: The Crystal Structure and Magnetic Properties of Two Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","8","3746","","10.1021/acs.cgd.5b00393","","","0.71073","MoKα","","0.0735","0.0532","","","0.1383","0.1528","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513428","7.4469","0.0015","15.272","0.003","9.1109","0.0018","90","","109.39","0.03","90","","977.4","0.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(2-BrPy)2Cu2Cl6]n","","","- C10 H8 Br2 Cl6 Cu3 N2 -","- C10 H8 Br2 Cl6 Cu3 N2 -","- C20 H16 Br4 Cl12 Cu6 N4 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan; Turnbull, Mark M.; Landee, Christopher P.","Dual Behavior of Bromine Atoms in Supramolecular Chemistry: The Crystal Structure and Magnetic Properties of Two Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","8","3746","","10.1021/acs.cgd.5b00393","","","0.71073","MoKα","","0.0382","0.0299","","","0.066","0.0688","","","","","","1.051","","","","has coordinates","154548","2020-10-21","18:00:00",""
"4513429","22.6558","0.0014","22.6558","0.0014","6.4981","0.0005","90","","90","","120","","2888.5","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C10 H17 N3 O10 U -","- C10 H17 N3 O10 U -","- C60 H102 N18 O60 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0202","0.018","","","0.0413","0.0421","","","","","","1.101","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513430","14.714","0.002","14.714","0.002","9.165","0.002","90","","90","","120","","1718.4","0.5","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C7 H3 N O8 U -","- C7 H3 N O7.9999 U -","- C42 H18 N6 O47.9994 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0428","0.0307","","","0.0696","0.0748","","","","","","1.085","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513431","6.5215","0.001","12.771","0.002","13.063","0.002","110.962","0.005","90.309","0.005","98.608","0.005","1002.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H25 N3 O14 U -","- C10 H25 N3 O14 U -","- C20 H50 N6 O28 U2 -","2","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0466","0.0324","","","0.071","0.0757","","","","","","0.927","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513432","14.5783","0.0007","14.5783","0.0007","9.227","0.0006","90","","90","","120","","1698.26","0.16","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C7 H3 N O7.33 U -","- C7 H3 N O7.3332 U -","- C42 H18 N6 O43.9992 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0227","0.0198","","","0.051","0.0518","","","","","","1.125","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513433","22.5295","0.0008","22.5295","0.0008","6.5451","0.0002","90","","90","","120","","2877.07","0.17","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C11.33 H20 N3 O10.33 U -","- C11.3333 H20 N3 O10.3333 U -","- C68 H120 N18 O62 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0275","0.0233","","","0.0713","0.081","","","","","","1.137","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513434","20.7471","0.0005","26.2764","0.0006","36.8943","0.0005","90","","90","","90","","20113.3","0.7","99.99","0.1","99.99","0.1","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C44 H26 Cd6 N12 O21 -","- C44 H26 Cd6 N12 O21 -","- C352 H208 Cd48 N96 O168 -","8","0.5","","Chen, Yuan; Li, Ziyin; Liu, Qing; Shen, Yangcan; Wu, Xiuzhen; Xu, Dandan; Ma, Xiuling; Wang, Lihua; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal‒Organic Framework with Lantern-like Dodecanuclear Metal Coordination Cages as Nodes for Selective Adsorption of C2/C1Mixtures and Sensing of Nitrobenzene","Crystal Growth & Design","2015","15","8","3847","","10.1021/acs.cgd.5b00473","","","1.54184","CuKα","","0.0705","0.0599","","","0.1646","0.1725","","","","","","1.058","","","","has coordinates,has disorder","154556","2020-10-21","18:00:00",""
"4513435","17.317","0.005","25.397","0.005","21.54","0.005","90","","94.431","0.005","90","","9445","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H48 Co2 N12 Na2 O31 Zn2 -","- C78 H48 Co2 N12 Na2 O31 Zn2 -","- C312 H192 Co8 N48 Na8 O124 Zn8 -","4","0.5","","Srivastava, Sumit; Aggarwal, Himanshu; Gupta, Rajeev","Three-Dimensional Heterometallic Coordination Networks: Syntheses, Crystal Structures, Topologies, and Heterogeneous Catalysis","Crystal Growth & Design","2015","15","8","4110","","10.1021/acs.cgd.5b00697","","","0.71073","MoKα","","0.089","0.0797","","","0.2294","0.2389","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513436","21.277","0.005","24.814","0.005","20.774","0.005","90","0.005","113.662","0.005","90","0.005","10046","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H24 Cd Co N6 Na O26 -","- C39 H24 Cd Co N6 Na O26 -","- C312 H192 Cd8 Co8 N48 Na8 O208 -","8","1","","Srivastava, Sumit; Aggarwal, Himanshu; Gupta, Rajeev","Three-Dimensional Heterometallic Coordination Networks: Syntheses, Crystal Structures, Topologies, and Heterogeneous Catalysis","Crystal Growth & Design","2015","15","8","4110","","10.1021/acs.cgd.5b00697","","","0.71073","MoKα","","0.0608","0.0515","","","0.1506","0.1576","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513437","13.562","0.005","17.989","0.005","19.981","0.005","90","0.005","93.91","0.005","90","0.005","4863","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H46 Cd3 Co2 N12 O52 -","- C84 H46 Cd3 Co2 N12 O52 -","- C168 H92 Cd6 Co4 N24 O104 -","2","0.5","","Srivastava, Sumit; Aggarwal, Himanshu; Gupta, Rajeev","Three-Dimensional Heterometallic Coordination Networks: Syntheses, Crystal Structures, Topologies, and Heterogeneous Catalysis","Crystal Growth & Design","2015","15","8","4110","","10.1021/acs.cgd.5b00697","","","0.71073","MoKα","","0.069","0.0614","","","0.1627","0.1676","","","","","","1.084","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513438","15.029","0.0004","19.2206","0.0006","21.3862","0.0011","90","","118.363","0.003","90","","5436.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H29 Co N6 O30 Zn3 -","- C45 H29 Co N6 O30 Zn3 -","- C180 H116 Co4 N24 O120 Zn12 -","4","1","","Srivastava, Sumit; Aggarwal, Himanshu; Gupta, Rajeev","Three-Dimensional Heterometallic Coordination Networks: Syntheses, Crystal Structures, Topologies, and Heterogeneous Catalysis","Crystal Growth & Design","2015","15","8","4110","","10.1021/acs.cgd.5b00697","","","0.71073","MoKα","","0.0462","0.0417","","","0.1117","0.1143","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513444","17.9388","0.0013","9.2136","0.0006","26.536","0.002","90","","108.127","0.004","90","","4168.2","0.5","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C68 H48 Co2 N4 O10 -","- C68 H48 Co2 N4 O10 -","- C136 H96 Co4 N8 O20 -","2","0.5","","Park, In-Hyeok; Medishetty, Raghavender; Lee, Hyeong-Hwan; Herng, Tun Seng; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.","Influence of Angular Dicarboxylate Ligand on the Structures of Single and Double Pillared-Layer Coordination Polymers of Co(II)","Crystal Growth & Design","2015","15","8","4156","","10.1021/acs.cgd.5b00766","","","0.71073","MoKα","","0.0972","0.0785","","","0.2128","0.2251","","","","","","1.065","","","","has coordinates,has disorder","154572","2020-10-21","18:00:00",""
"4513445","13.7327","0.0004","24.6637","0.0008","16.181","0.0005","90","","113.193","0.001","90","","5037.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 Co2 N4 O13 -","- C54 H48 Co2 N4 O13 -","- C216 H192 Co8 N16 O52 -","4","1","","Park, In-Hyeok; Medishetty, Raghavender; Lee, Hyeong-Hwan; Herng, Tun Seng; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.","Influence of Angular Dicarboxylate Ligand on the Structures of Single and Double Pillared-Layer Coordination Polymers of Co(II)","Crystal Growth & Design","2015","15","8","4156","","10.1021/acs.cgd.5b00766","","","0.71073","MoKα","","0.0878","0.0527","","","0.1131","0.1275","","","","","","1.007","","","","has coordinates,has disorder","154572","2020-10-21","18:00:00",""
"4513446","9.578","0.009","14.436","0.01","22.027","0.015","90","","102.557","0.014","90","","2973","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N3 O6 S -","- C31 H33 N3 O6 S -","- C124 H132 N12 O24 S4 -","4","1","","Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel","Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations","Crystal Growth & Design","2015","15","8","4162","","10.1021/acs.cgd.5b00744","","","0.71073","MoKα","","0.0681","0.0558","","","0.1672","0.1744","","","","","","1.149","","","","has coordinates","154558","2020-10-21","18:00:00",""
"4513447","11.7003","0.0006","12.38","0.0006","12.851","0.0006","117.078","0.002","98.813","0.003","97.312","0.003","1596.27","0.14","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 N4 O6 S -","- C33 H36 N4 O6 S -","- C66 H72 N8 O12 S2 -","2","1","","Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel","Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations","Crystal Growth & Design","2015","15","8","4162","","10.1021/acs.cgd.5b00744","","","0.71073","MoKα","","0.0673","0.0515","","","0.1375","0.1518","","","","","","1.026","","","","has coordinates","154558","2020-10-21","18:00:00",""
"4513448","10.333","0.004","36.097","0.013","9.961","0.003","90","","112.768","0.012","90","","3426","2","302","2","302","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H43 N3 O7 S -","- C35 H43 N3 O7 S -","- C140 H172 N12 O28 S4 -","4","1","","Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel","Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations","Crystal Growth & Design","2015","15","8","4162","","10.1021/acs.cgd.5b00744","","","0.71073","MoKα","","0.1224","0.0428","","","0.0833","0.1043","","","","","","0.914","","","","has coordinates","154558","2020-10-21","18:00:00",""
"4513449","7.6482","0.0014","13.398","0.003","16.798","0.003","78.765","0.008","86.517","0.008","75.06","0.009","1631.1","0.6","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 N4 O6 S -","- C33 H38 N4 O6 S -","- C66 H76 N8 O12 S2 -","2","1","","Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel","Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations","Crystal Growth & Design","2015","15","8","4162","","10.1021/acs.cgd.5b00744","","","0.71073","MoKα","","0.1904","0.0809","","","0.1904","0.2423","","","","","","1.028","","","","has coordinates,has disorder","154558","2020-10-21","18:00:00",""
"4513450","11.285","0.002","32.787","0.007","10.517","0.002","90","","98.979","0.004","90","","3843.6","1.3","90","2","90.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 N12 O2 -","- C46 H38 N12 O2 -","- C184 H152 N48 O8 -","4","1","","Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin","Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.","Crystal growth & design","2015","15","9","4219","4224","10.1021/acs.cgd.5b00395","","","0.71073","MoKα","","0.1276","0.0683","","","0.1565","0.1816","","","","","","1.014","","","","has coordinates","170054","2020-10-21","18:00:00",""
"4513451","34.345","0.003","9.2471","0.0014","10.6446","0.001","90","","104.008","0.01","90","","3280.1","0.7","90","2","90.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H20 N10 -","- C40 H20 N10 -","- C160 H80 N40 -","4","0.5","","Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin","Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.","Crystal growth & design","2015","15","9","4219","4224","10.1021/acs.cgd.5b00395","","","0.71073","MoKα","","0.1098","0.0561","","","0.1101","0.1379","","","","","","1.03","","","","has coordinates","170054","2020-10-21","18:00:00",""
"4513452","16.324","0.003","6.872","0.0013","21.928","0.004","90","","101.657","0.003","90","","2409.1","0.8","90","2","90.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 N12 O2 -","- C46 H28 N10 -","- C92 H56 N20 -","2","0.5","","Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin","Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.","Crystal growth & design","2015","15","9","4219","4224","10.1021/acs.cgd.5b00395","","","0.71073","MoKα","","0.1416","0.0874","","","0.2565","0.2921","","","","","","1.012","","","","has coordinates,has disorder","170054","2020-10-21","18:00:00",""
"4513453","7.6989","0.0006","27.8771","0.0014","34.694","0.003","90","","90","","90","","7446.1","0.9","295","2","295.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C49 H31 N11 O -","- C46 H24 N10 -","- C368 H192 N80 -","8","1","","Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin","Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.","Crystal growth & design","2015","15","9","4219","4224","10.1021/acs.cgd.5b00395","","","0.71073","MoKα","","0.1629","0.0757","","","0.1596","0.1928","","","","","","0.972","","","","has coordinates","170054","2020-10-21","18:00:00",""
"4513455","13.103","0.004","30.424","0.006","23.434","0.005","90","","101.392","0.005","90","","9158","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 Gd2 N20 O47 -","- C66 H68 Gd2 N20 O47 -","- C264 H272 Gd8 N80 O188 -","4","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0659","0.0502","","","0.1256","0.1387","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513456","22.907","0.005","15.215","0.005","25.128","0.005","90","","102.677","0.005","90","","8544","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Gd N8 O26 -","- C33 H34 Gd N8 O26 -","- C264 H272 Gd8 N64 O208 -","8","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71069","MoKα","","0.0585","0.0405","","","0.0906","0.0982","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513457","12.177","0.005","13.175","0.005","15.814","0.005","66.028","0.005","87.249","0.005","89.986","0.005","2315","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H29 Cd4 N13 O45 -","- C51 H29 Cd4 N13 O45 -","- C51 H29 Cd4 N13 O45 -","1","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0648","0.0551","","","0.1271","0.133","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513458","13.46","0.005","17.872","0.005","12.446","0.005","90","","97.112","0.005","90","","2970.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cd N6 O12 -","- C27 H18 Cd N6 O12 -","- C108 H72 Cd4 N24 O48 -","4","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0819","0.0494","","","0.1276","0.1436","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513459","27.72","0.005","11.138","0.005","25.075","0.005","90","","107.568","0.005","90","","7381","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H32 Cd3 N16 O36 -","- C66 H32 Cd3 N16 O36 -","- C264 H128 Cd12 N64 O144 -","4","0.5","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0824","0.0517","","","0.1105","0.1294","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513460","25.837","0.004","10.8944","0.0015","9.5596","0.0014","90","","90.903","0.007","90","","2690.5","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H14 Cd N6 O13 -","- C26 H14 Cd N6 O13 -","- C104 H56 Cd4 N24 O52 -","4","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0588","0.0398","","","0.0727","0.0781","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513461","9.5379","0.0012","5.7387","0.0007","12.5211","0.0018","90","","109.146","0.015","90","","647.44","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1264","0.053","","","0.0936","0.1258","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513462","7.3446","0.0004","16.3851","0.001","11.1975","0.0007","90","","105.157","0.006","90","","1300.65","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0643","0.0456","","","0.1086","0.1208","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513463","19.367","0.003","7.1978","0.0008","19.4919","0.0016","90","","104.881","0.011","90","","2626","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C112 H120 N24 O16 -","8","2","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1559","0.1061","","","0.2861","0.3275","","","","","","1.054","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513464","5.5336","0.0005","8.9229","0.0009","10.9447","0.0011","87.095","0.008","89.016","0.008","75.137","0.008","521.65","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0843","0.0516","","","0.1159","0.1369","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513465","11.4553","0.0007","11.594","0.0008","14.6223","0.001","68.15","0.006","76.81","0.006","74.391","0.006","1718.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.5 H18 N3 O6 -","- C16.5 H18 N3 O6 -","- C66 H72 N12 O24 -","4","2","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1025","0.0502","","","0.0905","0.1165","","","","","","1.002","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513466","8.8197","0.0006","21.18","0.0012","12.3153","0.001","90","","93.492","0.007","90","","2296.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C88 H96 N16 O32 -","8","2","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1172","0.0573","","","0.1067","0.1341","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513467","5.66","0.0004","18.8049","0.0016","19.465","0.0013","90","","90","","90","","2071.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N4 O4 -","- C21 H28 N4 O4 -","- C84 H112 N16 O16 -","4","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0957","0.0428","","","0.0723","0.087","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513468","13.9493","0.0009","8.3273","0.0004","16.944","0.0009","90","","113.288","0.007","90","","1807.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N5 O2 S2 -","- C16 H17 N5 O2 S2 -","- C64 H68 N20 O8 S8 -","4","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0666","0.0432","","","0.107","0.1221","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513469","14.037","0.0008","16.2988","0.0006","16.698","0.0007","90","","90","","90","","3820.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N6 O2 S -","- C18 H20 N6 O2 S -","- C144 H160 N48 O16 S8 -","8","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1046","0.0578","","","0.1183","0.1384","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513470","10.9623","0.0008","5.8715","0.0003","12.0212","0.0009","90","","116.754","0.009","90","","690.91","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C28 H26 N6 O6 S2 -","2","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0282","0.0258","","","0.0658","0.0678","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513471","12.1599","0.0015","7.1495","0.0011","13.5183","0.0014","90","","90.035","0.01","90","","1175.2","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H12 N5 O3.5 -","- C10 H11 N5 O3.5 -","- C40 H44 N20 O14 -","4","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0634","0.0449","","","0.1102","0.1222","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513472","8.3865","0.0005","10.2168","0.0006","15.8771","0.0011","89.949","0.004","74.926","0.004","78.451","0.004","1285.11","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Mn N6 O4 -","- C26 H19 Mn N6 O4 -","- C52 H38 Mn2 N12 O8 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.086","0.0568","","","0.1551","0.1765","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513473","8.388","0.0002","10.1041","0.0002","15.7252","0.0004","90.586","0.001","104.374","0.001","101.294","0.001","1263.61","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Fe N6 O4 -","- C26 H19 Fe N6 O4 -","- C52 H38 Fe2 N12 O8 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.0598","0.0396","","","0.0841","0.0919","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513474","8.3602","0.0002","10.0943","0.0002","15.6447","0.0004","91.023","0.001","104.254","0.001","101.386","0.001","1251.36","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Co N6 O4 -","- C26 H19 Co N6 O4 -","- C52 H38 Co2 N12 O8 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.0542","0.0384","","","0.0876","0.0948","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513475","7.6059","0.0002","13.7196","0.0003","19.6777","0.0004","90","","91.954","0.001","90","","2052.17","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Mn N4 O4 -","- C22 H18 Mn N4 O4 -","- C88 H72 Mn4 N16 O16 -","4","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.044","0.0356","","","0.0884","0.0926","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513476","7.6123","0.0003","13.5665","0.0005","19.6056","0.0008","90","","91.749","0.002","90","","2023.77","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Fe N4 O4 -","- C22 H18 Fe N4 O4 -","- C88 H72 Fe4 N16 O16 -","4","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.0562","0.038","","","0.0923","0.1011","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513477","7.6154","0.0002","13.4625","0.0003","19.6118","0.0004","90","","91.013","0.001","90","","2010.33","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.0418","0.0328","","","0.0805","0.0845","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513478","7.6373","0.0002","13.7679","0.0004","19.9752","0.0006","90","","92.039","0.002","90","","2099.05","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.032","0.0255","","","0.0583","0.0612","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513481","7.3279","0.0003","7.3279","0.0003","12.4075","0.0005","90","","90","","120","","577","0.04","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs2 O12 Te W3 -","- Cs2 O12 Te W3 -","- Cs4 O24 Te2 W6 -","2","0.333333","","Zhao, Peng; Cong, Hengjiang; Tian, Xiangxin; Sun, Youxuan; Zhang, Chengqian; Xia, Shengqing; Gao, Zeliang; Tao, Xutang","Top-Seeded Solution Growth, Structure, Morphology, and Functional Properties of a New Polar Crystal — Cs2TeW3O12","Crystal Growth & Design","2015","15","9","4484","","10.1021/acs.cgd.5b00753","","","0.71073","MoKα","","0.0129","0.0124","","","0.0247","0.0248","","","","","","1.178","","","","has coordinates","154592","2020-10-21","18:00:00",""
"4513482","10.1382","0.0008","12.666","0.001","14.0264","0.0012","90","","90","","90","","1801.1","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8.5 H11.5 Cl0.5 Li0.5 N1.5 O1.5 -","- C8.5 H11.5 Cl0.5 Li0.5 N1.5 O1.5 -","- C68 H92 Cl4 Li4 N12 O12 -","8","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0382","0.0295","","","0.082","0.0844","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513483","8.9345","0.0005","11.4411","0.0006","8.9682","0.0005","90","","102.958","0.0012","90","","893.39","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 Br N2 Na O3 -","- C17 H20 Br N2 Na O3 -","- C34 H40 Br2 N4 Na2 O6 -","2","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0157","0.0151","","","0.0348","0.035","","","","","","1.101","","","","has coordinates","154585","2020-10-21","18:00:00",""
"4513484","13.2887","0.0004","12.705","0.0004","21.5048","0.0005","90","","90","","90","","3630.72","0.18","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H23 Cl Li N3 O3 -","- C17 H23 Cl Li N3 O3 -","- C136 H184 Cl8 Li8 N24 O24 -","8","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0445","0.0279","","","0.0686","0.0711","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513485","8.7475","0.0004","11.5399","0.0004","19.9285","0.0006","90","","93.602","0.003","90","","2007.71","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21.5 N3.5 Na O3 S -","- C19 H21.5 N3.5 Na O3 S -","- C76 H86 N14 Na4 O12 S4 -","4","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0394","0.0293","","","0.0825","0.0849","","","","","","1.11","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513486","7.7957","0.0002","11.9367","0.0003","18.6042","0.0005","90","","90","","90","","1731.21","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br Li N2 O3 -","- C17 H20 Br Li N2 O3 -","- C68 H80 Br4 Li4 N8 O12 -","4","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0138","0.0131","","","0.0336","0.0337","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513488","6.4078","0.0003","10.1634","0.0005","10.1735","0.0005","90","","106.246","0.002","90","","636.09","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O7 Zn -","- C10 H11 N O7 Zn -","- C20 H22 N2 O14 Zn2 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0285","0.0271","","","0.0689","0.0697","","","","","","1.132","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513489","9.8361","0.0008","7.3181","0.0007","10.8209","0.0008","90","","107.138","0.003","90","","744.32","0.11","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H14 N2 O8 Zn -","- C11 H14 N2 O8 Zn -","- C22 H28 N4 O16 Zn2 -","2","0.5","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0467","0.0411","","","0.1076","0.1108","","","","","","1.15","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513490","8.464","0.0004","10.1065","0.0005","11.0093","0.0005","89.985","0.002","67.875","0.003","70.639","0.002","814.66","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 O8 Zn -","- C12 H16 N2 O8 Zn -","- C24 H32 N4 O16 Zn2 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0429","0.0381","","","0.1008","0.105","","","","","","1.094","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513491","8.8542","0.0008","8.8835","0.0007","9.6729","0.0008","68.344","0.003","82.253","0.004","70.261","0.003","665.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O7 Zn -","- C11 H12 N2 O7 Zn -","- C22 H24 N4 O14 Zn2 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0706","0.0381","","","0.0761","0.0862","","","","","","0.99","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513492","22.7005","0.0011","11.3935","0.0005","24.8275","0.0016","90","","113.631","0.002","90","","5882.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H58 N10 O18 Zn3 -","- C58 H58 N10 O18 Zn3 -","- C232 H232 N40 O72 Zn12 -","4","0.5","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0574","0.0406","","","0.1017","0.1138","","","","","","1.039","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513493","6.5576","0.0004","9.715","0.0006","8.6358","0.0006","90","","90.579","0.004","90","","550.13","0.06","150","2","150","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C6 H8 F5 N21 Zn4 -","- C6 H8 F5 N21 Zn4 -","- C6 H8 F5 N21 Zn4 -","1","0.25","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.0673","0.0557","","","0.1358","0.1467","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513494","29.371","0.01","6.645","0.002","17.375","0.006","90","","105.644","0.011","90","","3265.5","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H30 F10 Fe2 N26 Zn2 -","- C9 H30 F10 Fe2 N26 Zn2 -","- C36 H120 F40 Fe8 N104 Zn8 -","4","0.5","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.1978","0.1369","","","0.3516","0.3881","","","","","","1.288","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513495","10.3201","0.0002","7.4194","0.0001","15.0123","0.0003","90","","90","","90","","1149.48","0.04","296","2","296","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C2 H16 F6 Fe N O4 Zn -","- C2 H16 F6 Fe N O4 Zn -","- C8 H64 F24 Fe4 N4 O16 Zn4 -","4","0.25","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.0219","0.0185","","","0.054","0.0557","","","","","","1.275","","","","has coordinates","154578","2020-10-21","18:00:00",""
"4513496","13.2928","0.0006","6.57","0.0003","13.6461","0.0009","90","","119.069","0.003","90","","1041.64","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H44 F12 Fe2.8 N34 Zn3.2 -","- C14 H44 F12 Fe2.8 N34 Zn3.2 -","- C14 H44 F12 Fe2.8 N34 Zn3.2 -","1","0.5","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.0468","0.0399","","","0.0905","0.1006","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513499","8.0795","0.001","12.189","0.0015","27.647","0.005","94.311","0.019","94.775","0.018","90.653","0.014","2705.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 Br N4 O -","- C26 H35 Br N4 O -","- C104 H140 Br4 N16 O4 -","4","2","","Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena","Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline Properties","Crystal Growth & Design","2015","15","9","4701","","10.1021/acs.cgd.5b01024","","","0.71073","MoKα","","0.16","0.0631","","","0.1253","0.1542","","","","","","0.744","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513500","14.98","0.002","8.487","0.0011","13.59","0.002","90","","107.124","0.002","90","","1651.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Br2 N6 -","- C32 H44 Br2 N6 -","- C64 H88 Br4 N12 -","2","0.5","","Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena","Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline Properties","Crystal Growth & Design","2015","15","9","4701","","10.1021/acs.cgd.5b01024","","","0.71073","MoKα","","0.0674","0.0431","","","0.0951","0.1255","","","","","","1.132","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513501","6.854","0.005","8.234","0.006","27.248","0.018","90.876","0.009","90.872","0.009","109.433","0.007","1449.7","1.8","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H43 Br N4 O -","- C30 H43 Br N4 O -","- C60 H86 Br2 N8 O2 -","2","1","","Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena","Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline Properties","Crystal Growth & Design","2015","15","9","4701","","10.1021/acs.cgd.5b01024","","","0.71073","MoKα","","0.0632","0.0468","","","0.1163","0.1291","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513502","10.3616","0.0011","7.751","0.0009","35.652","0.004","90","","98.168","0.014","90","","2834.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 Br N4 O -","- C28 H39 Br N4 O -","- C112 H156 Br4 N16 O4 -","4","1","","Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena","Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline Properties","Crystal Growth & Design","2015","15","9","4701","","10.1021/acs.cgd.5b01024","","","0.71073","MoKα","","0.1277","0.0633","","","0.1345","0.1693","","","","","","0.951","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513503","18.1409","0.0006","16.0861","0.0006","12.4109","0.0004","90","","124.807","0.002","90","","2973.71","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Mn N6 O6 -","- C33 H28 Mn N6 O6 -","- C132 H112 Mn4 N24 O24 -","4","0.5","","Ho, Tzu-Yan; Huang, Sheng-Ming; Wu, Jing-Yun; Hsu, Kung-Chung; Lu, Kuang-Lieh","Direct Guest Exchange Induced Single-Crystal to Single-Crystal Transformation Accompanying Irreversible Crystal Expansion in Soft Porous Coordination Polymers","Crystal Growth & Design","2015","15","9","4266","","10.1021/acs.cgd.5b00565","","","0.71073","MoKα","","0.0408","0.0337","","","0.0782","0.0823","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513504","18.882","0.005","14.835","0.005","12.602","0.005","90","0.005","124.801","0.005","90","0.005","2898.6","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Mn N6 O7 -","- C30 H28 Mn N6 O7 -","- C120 H112 Mn4 N24 O28 -","4","0.5","","Ho, Tzu-Yan; Huang, Sheng-Ming; Wu, Jing-Yun; Hsu, Kung-Chung; Lu, Kuang-Lieh","Direct Guest Exchange Induced Single-Crystal to Single-Crystal Transformation Accompanying Irreversible Crystal Expansion in Soft Porous Coordination Polymers","Crystal Growth & Design","2015","15","9","4266","","10.1021/acs.cgd.5b00565","","","0.71073","MoKα","","0.1558","0.0668","","","0.1289","0.1564","","","","","","0.731","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513505","12.1651","0.0005","9.798","0.0004","20.6387","0.0007","90","","113.01","0.002","90","","2264.28","0.16","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Ag2 Cl2 N3 O5 S -","- C20 H17 Ag2 Cl2 N3 O5 S -","- C80 H68 Ag8 Cl8 N12 O20 S4 -","4","1","","Liu, Beibei; Lin, Xiaoling; Li, Hao; Li, Kaixuan; Huang, Hui; Bai, Liang; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Luminescent Coordination Polymers for Highly Sensitive Detection of Nitrobenzene","Crystal Growth & Design","2015","15","9","4355","","10.1021/acs.cgd.5b00648","","","0.71073","MoKα","","0.0319","0.0274","","","0.0709","0.0733","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513506","17.6418","0.0018","10.636","0.0011","22.861","0.002","90","","93.865","0.002","90","","4279.8","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Cd Cl2 N3 O5 S -","- C20 H19 Cd Cl2 N3 O5 S -","- C160 H152 Cd8 Cl16 N24 O40 S8 -","8","1","","Liu, Beibei; Lin, Xiaoling; Li, Hao; Li, Kaixuan; Huang, Hui; Bai, Liang; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Luminescent Coordination Polymers for Highly Sensitive Detection of Nitrobenzene","Crystal Growth & Design","2015","15","9","4355","","10.1021/acs.cgd.5b00648","","","0.71073","MoKα","","0.0345","0.0268","","","0.0572","0.0594","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513507","15.2758","0.001","38.796","0.003","9.4218","0.0006","90","","90","","90","","5583.7","0.7","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C53 H50 Cl4 N8 O8 Pb S2 -","- C53 H50 Cl4 N8 O8 Pb S2 -","- C212 H200 Cl16 N32 O32 Pb4 S8 -","4","0.5","","Liu, Beibei; Lin, Xiaoling; Li, Hao; Li, Kaixuan; Huang, Hui; Bai, Liang; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Luminescent Coordination Polymers for Highly Sensitive Detection of Nitrobenzene","Crystal Growth & Design","2015","15","9","4355","","10.1021/acs.cgd.5b00648","","","0.71073","MoKα","","0.053","0.0321","","","0.0608","0.065","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513508","8.5907","0.0014","9.1624","0.0015","11.1998","0.0019","90","","96.915","0.005","90","","875.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C44 H32 N8 O4 -","2","0.5","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0627","0.0376","","","0.0916","0.1009","","","","","","1.038","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513509","12.595","0.004","11.22","0.004","19.45","0.007","90","","102.049","0.013","90","","2688","1.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Ag B F4 N6 O2 -","- C26 H22 Ag B F4 N6 O2 -","- C104 H88 Ag4 B4 F16 N24 O8 -","4","0.5","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0566","0.0532","","","0.1547","0.1572","","","","","","1.104","","","","has coordinates,has disorder","154590","2020-10-21","18:00:00",""
"4513510","10.0345","0.0011","15.2852","0.0017","18.421","0.002","67.732","0.002","87.024","0.002","77.361","0.002","2549.8","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H104 Co3 N18 O32 -","- C102 H104 Co3 N18 O32 -","- C102 H104 Co3 N18 O32 -","1","0.5","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.08","0.0571","","","0.1659","0.1841","","","","","","1.103","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513511","10.2476","0.0008","11.7864","0.0007","14.2092","0.0008","74.78","0.002","76.188","0.002","69.718","0.002","1532.51","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cd N4 O11 -","- C32 H26 Cd N4 O11 -","- C64 H52 Cd2 N8 O22 -","2","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0278","0.0235","","","0.0705","0.0893","","","","","","1.202","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513512","9.1475","0.0016","10.0916","0.0017","17.097","0.003","93.392","0.005","91.558","0.005","99.946","0.005","1550.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Co N5 O9 -","- C33 H27 Co N5 O9 -","- C66 H54 Co2 N10 O18 -","2","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0908","0.0789","","","0.2105","0.224","","","","","","1.042","","","","has coordinates,has disorder","154590","2020-10-21","18:00:00",""
"4513513","16.117","0.005","8.978","0.002","22.39","0.006","90","","110.865","0.01","90","","3027.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 Co N5 O7 -","- C35 H31 Co N5 O7 -","- C140 H124 Co4 N20 O28 -","4","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.1523","0.083","","","0.1837","0.2213","","","","","","0.954","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513514","14.0183","0.0007","7.0259","0.0004","19.4666","0.001","90","","104.872","0.001","90","","1853.06","0.17","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cd N2 O5 -","- C21 H16 Cd N2 O5 -","- C84 H64 Cd4 N8 O20 -","4","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0198","0.018","","","0.0481","0.0489","","","","","","1.054","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513515","6.7968","0.0017","9.143","0.002","11.838","0.003","100.727","0.005","96.444","0.004","96.517","0.004","711.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Co N4 O8 -","- C32 H28 Co N4 O8 -","- C32 H28 Co N4 O8 -","1","0.5","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0354","0.033","","","0.0981","0.1081","","","","","","1.165","","","","has coordinates,has disorder","154590","2020-10-21","18:00:00",""
"4513516","11.394","0.006","14.357","0.009","14.395","0.008","101.559","0.019","112.43","0.018","101.04","0.018","2037","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H31 N5 O10 Zn -","- C39 H31 N5 O10 Zn -","- C78 H62 N10 O20 Zn2 -","2","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.1582","0.0979","","","0.2748","0.3098","","","","","","1.076","","","","has coordinates,has disorder","154590","2020-10-21","18:00:00",""
"4513517","14.45","0.002","9.2033","0.0012","6.7339","0.0005","90","","92.836","0.008","90","","894.43","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl2 Fe N4 -","- C7 H5 Cl2 Fe N4 -","- C28 H20 Cl8 Fe4 N16 -","4","1","","Yao, Peng-Fei; Tao, Ye; Li, Hai-Ye; Qin, Xiao-Huan; Shi, Dong-Wei; Huang, Fu-Ping; Yu, Qing; Qin, Xing-Xing; Bian, He-Dong","A Family of Fe(II)/Cl Supramolecular Coordination Systems Incorporating 5,5′-Di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","Crystal Growth & Design","2015","15","9","4394","","10.1021/acs.cgd.5b00724","","","0.7107","MoKα","","0.0644","0.0535","","","0.1177","0.1221","","","","","","1.151","","","","has coordinates","154575","2020-10-21","18:00:00",""
"4513518","6.8424","0.0004","9.1998","0.0004","14.5135","0.001","79.457","0.005","89.008","0.006","88.406","0.004","897.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Cl4 Fe2 N8 -","- C14 H10 Cl4 Fe2 N8 -","- C28 H20 Cl8 Fe4 N16 -","2","1","","Yao, Peng-Fei; Tao, Ye; Li, Hai-Ye; Qin, Xiao-Huan; Shi, Dong-Wei; Huang, Fu-Ping; Yu, Qing; Qin, Xing-Xing; Bian, He-Dong","A Family of Fe(II)/Cl Supramolecular Coordination Systems Incorporating 5,5′-Di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","Crystal Growth & Design","2015","15","9","4394","","10.1021/acs.cgd.5b00724","","","0.7107","MoKα","","0.0503","0.0346","","","0.0689","0.0784","","","","","","1.03","","","","has coordinates","154575","2020-10-21","18:00:00",""
"4513519","7.2793","0.0004","9.7479","0.0007","15.1562","0.0009","100.504","0.006","94.495","0.005","105.762","0.005","1008.33","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl3 Fe2 N8 O3 -","- C14 H15 Cl3 Fe2 N8 O3 -","- C28 H30 Cl6 Fe4 N16 O6 -","2","1","","Yao, Peng-Fei; Tao, Ye; Li, Hai-Ye; Qin, Xiao-Huan; Shi, Dong-Wei; Huang, Fu-Ping; Yu, Qing; Qin, Xing-Xing; Bian, He-Dong","A Family of Fe(II)/Cl Supramolecular Coordination Systems Incorporating 5,5′-Di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","Crystal Growth & Design","2015","15","9","4394","","10.1021/acs.cgd.5b00724","","","0.7107","MoKα","","0.0402","0.031","","","0.0682","0.073","","","","","","1.049","","","","has coordinates","154575","2020-10-21","18:00:00",""
"4513520","11.553","0.006","19.825","0.003","25.184","0.004","90","","90","","90","","5768","3","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 I9 N6 O6 Pb3 -","- C30 I9 N6 O6 Pb3 -","- C120 I36 N24 O24 Pb12 -","4","1","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0826","0.0759","","","0.1901","0.1954","","","","","","1.0513","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4513521","22.299","0.005","7.964","0.005","8.85","0.0017","90","","113.377","0.01","90","","1442.7","1","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","Giti29","","","- C6 I3 N O2 Pb -","- C6 I3 N O2 Pb -","- C24 I12 N4 O8 Pb4 -","4","1","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0205","0.0203","","","0.0475","0.0476","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513522","4.637","0.0002","11.112","0.0009","13.46","0.001","71.462","0.003","80.868","0.005","84.288","0.005","648.33","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Giti22","","","- C2 I3 N4 O2 Pb -","- C2 I3 N4 O2 Pb -","- C4 I6 N8 O4 Pb2 -","2","1","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0608","0.0593","","","0.1543","0.1564","","","","","","1.093","","","","has coordinates","154583","2020-10-21","18:00:00",""
"4513523","21.194","0.0002","40.161","0.0006","8.023","0.0016","90","","90","","90","","6829","1.4","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","gitti12","","- C3.097 I1.548 N0.516 O0.774 Pb0.516 -","- C3.09677 I1.54839 N0.516129 O0.774194 Pb0.516129 -","- C96 I48 N16 O24 Pb16 -","31","1.9375","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0401","0.0374","","","0.1017","0.1034","","","","","","1.0303","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4513524","7.5555","0.0002","18.9892","0.0004","11.4893","0.0003","90","","99.658","0.003","90","","1625.04","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 O23.5 Zn4 -","- C22 H14 O23.5 Zn4 -","- C44 H28 O47 Zn8 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0377","0.0354","","","0.1142","0.1165","","","","","","1.015","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513525","7.5428","0.0002","18.9688","0.0005","11.5038","0.0004","90","","99.632","0.003","90","","1622.74","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 O23.5 Zn4 -","- C22 H14 O23.5 Zn4 -","- C44 H28 O47 Zn8 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0416","0.0381","","","0.1195","0.1234","","","","","","0.989","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513526","9.4464","0.0003","26.2464","0.0008","9.7686","0.0003","90","","117.108","0.004","90","","2155.91","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H35 Cd3 N4 O14.5 -","- C46 H34 Cd3 N4 O14.5 -","- C92 H68 Cd6 N8 O29 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0365","0.0324","","","0.0857","0.0875","","","","","","1.067","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513527","9.4565","0.001","26.2364","0.0018","9.7671","0.001","90","","117.169","0.014","90","","2155.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H35 Cd3 N4 O14.5 -","- C46 H34 Cd3 N4 O14.5 -","- C92 H68 Cd6 N8 O29 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","1.54178","CuKα","","0.0439","0.0411","","","0.1061","0.1084","","","","","","1.003","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513528","9.9455","0.0003","9.9455","0.0003","42.2668","0.0018","90","","90","","120","","3620.6","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H22 Cd1.5 N2 O7.5 -","- C24 H21 Cd1.5 N2 O7.5 -","- C144 H126 Cd9 N12 O45 -","6","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0667","0.0604","","","0.1605","0.1658","","","","","","1.099","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513529","9.9361","0.0002","9.9361","0.0002","42.3479","0.0018","90","","90","","120","","3620.72","0.19","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H22 Cd1.5 N2 O7.5 -","- C24 H21 Cd1.5 N2 O7.5 -","- C144 H126 Cd9 N12 O45 -","6","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0628","0.0593","","","0.1811","0.1867","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513530","11.3022","0.0005","20.8207","0.0005","12.242","0.0006","90","","116.513","0.005","90","","2577.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H45 Cd4 N8 O20.5 -","- C46 H34 Cd4 N8 O20.5 -","- C92 H68 Cd8 N16 O41 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.036","0.0309","","","0.0728","0.0757","","","","","","1.012","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513531","11.3063","0.0007","20.8442","0.0009","12.2438","0.0009","90","","116.542","0.009","90","","2581.4","0.3","295.93","0.1","295.93","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H45 Cd4 N8 O20.5 -","- C46 H34 Cd4 N8 O20.5 -","- C92 H68 Cd8 N16 O41 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","1.54178","CuKα","","0.0495","0.0459","","","0.1231","0.1266","","","","","","0.991","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513532","16.0822","0.0019","5.7965","0.0011","32.892","0.004","90","","99.314","0.009","90","","3025.8","0.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O7 -","- C34 H34 N2 O7 -","- C136 H136 N8 O28 -","4","1","","Neurohr, Clémence; Marchivie, Mathieu; Lecomte, Sophie; Cartigny, Yohann; Couvrat, Nicolas; Sanselme, Morgane; Subra-Paternault, Pascale","Naproxen‒Nicotinamide Cocrystals: Racemic and Conglomerate Structures Generated by CO2Antisolvent Crystallization","Crystal Growth & Design","2015","15","9","4616","","10.1021/acs.cgd.5b00876","","","0.71073","MoKα","","0.1772","0.0802","","","0.1501","0.1848","","","","","","1.033","","","","has coordinates","154591","2020-10-21","18:00:00",""
"4513533","12.1783","0.0004","12.6524","0.0006","16.6968","0.0006","95.897","0.003","99.86","0.003","104.902","0.004","2420.19","0.18","267.48","0.1","267.48","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl12 N4 Ni O10 -","- C42 H26 Cl12 N4 Ni O10 -","- C84 H52 Cl24 N8 Ni2 O20 -","2","1","","Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Four Metal‒Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid","Crystal Growth & Design","2015","15","9","4198","","10.1021/acs.cgd.5b00164","","x-ray","0.71","MoKα","","0.0874","0.0584","","","0.1498","0.1713","","","","","","1.028","","","","has coordinates","154582","2020-10-21","18:00:00",""
"4513534","8.492","0.008","12.824","0.012","13.253","0.013","64.289","0.014","72.003","0.016","89.561","0.016","1223","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H12 Cl6 Cu N2 O5 -","- C21 H12 Cl6 Cu N2 O5 -","- C42 H24 Cl12 Cu2 N4 O10 -","2","1","","Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Four Metal‒Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid","Crystal Growth & Design","2015","15","9","4198","","10.1021/acs.cgd.5b00164","","","0.71","MoKα","","0.0789","0.0486","","","0.1136","0.1261","","","","","","1","","","","has coordinates","154582","2020-10-21","18:00:00",""
"4513535","12.316","0.003","13.288","0.003","29.13","0.006","90","","110.765","0.008","90","","4457.6","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H18 Cl12 Cu2 N3 O9 -","- C33 H18 Cl12 Cu2 N3 O9 -","- C132 H72 Cl48 Cu8 N12 O36 -","4","1","","Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Four Metal‒Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid","Crystal Growth & Design","2015","15","9","4198","","10.1021/acs.cgd.5b00164","","","0.71073","MoKα","","0.0992","0.0588","","","0.145","0.1621","","","","","","1.009","","","","has coordinates","154582","2020-10-21","18:00:00",""
"4513536","13.7798","0.0012","12.6363","0.0011","25.0522","0.0018","90","","114.451","0.004","90","","3971","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 Cl12 N2 O11 -","- C30 H20 Cd2 Cl12 N2 O11 -","- C120 H80 Cd8 Cl48 N8 O44 -","4","1","","Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Four Metal‒Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid","Crystal Growth & Design","2015","15","9","4198","","10.1021/acs.cgd.5b00164","","","0.71073","MoKα","","0.0347","0.0286","","","0.0725","0.0761","","","","","","1.035","","","","has coordinates","154582","2020-10-21","18:00:00",""
"4513537","14.431","0.005","15.645","0.005","18.541","0.005","87.253","0.005","72.501","0.005","63.291","0.005","3547.6","1.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H142 Cd4 Cl8 N56 O39 -","- C120 H124 Cd4 Cl8 N56 O39 -","- C120 H124 Cd4 Cl8 N56 O39 -","1","0.5","","Wu, Xue-Song; Liang, Jun; Hu, Xiao-Li; Wang, Xin-Long; Song, Bai-Qiao; Jiao, Yan-Qing; Su, Zhong-Min","Metal‒Organic Rotaxane Frameworks Assembly by Cucurbit[6]uril-Based Pseudorotaxanes and Mixed Ligands","Crystal Growth & Design","2015","15","9","4311","","10.1021/acs.cgd.5b00612","","","0.71069","MoKα","","0.0835","0.0564","","","0.1517","0.1708","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513538","6.2421","0.0002","10.1937","0.0003","12.9498","0.0003","108.616","0.002","91.868","0.002","95.517","0.002","775.52","0.04","120","","","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H21 Cl4 N5 O Pt2 -","- C4 H21 Cl4 N5 O Pt2 -","- C8 H42 Cl8 N10 O2 Pt4 -","2","1","","Dawn, Arnab; Andrew, Katherine S.; Yufit, Dmitry S.; Hong, Yuexian; Reddy, J. Prakasha; Jones, Christopher D.; Aguilar, Juan A.; Steed, Jonathan W.","Supramolecular Gel Control of Cisplatin Crystallization: Identification of a New Solvate Form Using a Cisplatin-Mimetic Gelator","Crystal Growth & Design","2015","15","9","4591","","10.1021/acs.cgd.5b00840","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","154588","2020-10-21","18:00:00",""
"4513539","11.5741","0.001","14.1549","0.0012","10.9185","0.0009","90","","102.234","0.001","90","","1748.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Ag F6 N2 S Sb -","- C13 H10 Ag F6 N2 S Sb -","- C52 H40 Ag4 F24 N8 S4 Sb4 -","4","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.068","0.047","","","0.0847","0.095","","","","","","1.158","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513540","10.282","0.003","16.864","0.005","13.621","0.004","90","","107.265","0.004","90","","2255.4","1.1","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Ag B F4 N3 O2 S3 -","- C20 H11 Ag B F4 N3 O2 S3 -","- C80 H44 Ag4 B4 F16 N12 O8 S12 -","4","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0505","0.0377","","","0.0709","0.0776","","","","","","1.184","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513541","11.685","0.003","12.44","0.004","13.933","0.004","80.464","0.004","77.996","0.004","64.417","0.004","1780.2","0.9","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C21 H12 Ag F3 N2 O3 S4 -","- C21 H12 Ag F3 N2 O3 S4 -","- C63 H36 Ag3 F9 N6 O9 S12 -","3","3","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0433","0.039","","","0.1028","0.1083","","","","","","1.02","","","","has coordinates","154589","2020-10-21","18:00:00",""
"4513542","8.202","0.002","23.559","0.007","19.614","0.006","90","","92.1","0.004","90","","3787.5","1.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Ag B F4 P2 S2 -","- C41.31 H30 Ag B F4 P2 S2 -","- C165.24 H120 Ag4 B4 F16 P8 S8 -","4","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0925","0.0591","","","0.1131","0.1275","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513543","12.7731","0.0013","29.872","0.003","33.792","0.004","90","","90","","90","","12894","2","200","2","200","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C29 H12 Ag F3 N4 O3.45 S7 -","- C29 H12 Ag F3 N4 O3.47 S7 -","- C464 H192 Ag16 F48 N64 O55.52 S112 -","16","0.5","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0816","0.0674","","","0.1452","0.1489","","","","","","1.475","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513544","10.7643","0.0019","17.055","0.003","12.542","0.002","90","","103.638","0.003","90","","2237.6","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Ag B F4 N2 S3 -","- C21 H14 Ag B F4 N2 S3 -","- C84 H56 Ag4 B4 F16 N8 S12 -","4","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0638","0.0571","","","0.1159","0.1185","","","","","","1.192","","","","has coordinates,has disorder","154589","2020-10-21","18:00:00",""
"4513545","22.8411","0.0009","12.5825","0.0005","22.9745","0.001","90","","90","","90","","6602.8","0.5","250","2","250","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H12 Ag F6 N4 S6 Sb -","- C28 H12 Ag F6 N4 S6 Sb -","- C224 H96 Ag8 F48 N32 S48 Sb8 -","8","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0855","0.0477","","","0.0929","0.0968","","","","","","1.74","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513547","25.5951","0.0007","29.3619","0.0009","36.2011","0.0015","90","","109.597","0.002","90","","25630","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H336 N46 O59 P4 -","- C204 H336 N46 O59 P4 -","- C816 H1344 N184 O236 P16 -","4","0.5","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Self-Assembly of a Tris(Urea) Receptor as Tetrahedral Cage for the Encapsulation of a Discrete Tetrameric Mixed Phosphate Cluster (H2PO4‒•HPO42‒)2","Crystal Growth & Design","2015","15","10","4993","","10.1021/acs.cgd.5b00926","","","0.71073","MoKα","","0.391","0.135","","","0.293","0.3814","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513548","12.9811","0.0014","22.848","0.003","14.6435","0.0015","90","","103.82","0.006","90","","4217.4","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N10 O19 P2 S -","- C29 H44 N10 O19 P2 S -","- C116 H176 N40 O76 P8 S4 -","4","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Self-Assembly of a Tris(Urea) Receptor as Tetrahedral Cage for the Encapsulation of a Discrete Tetrameric Mixed Phosphate Cluster (H2PO4‒•HPO42‒)2","Crystal Growth & Design","2015","15","10","4993","","10.1021/acs.cgd.5b00926","","","0.71073","MoKα","","0.1148","0.0678","","","0.1766","0.2006","","","","","","1.171","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513549","11.606","0.009","26.1","0.02","13.323","0.01","90","","95.56","0.02","90","","4017","5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 F N11 O9 -","- C35 H50 F N11 O9 -","- C140 H200 F4 N44 O36 -","4","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Self-Assembly of a Tris(Urea) Receptor as Tetrahedral Cage for the Encapsulation of a Discrete Tetrameric Mixed Phosphate Cluster (H2PO4‒•HPO42‒)2","Crystal Growth & Design","2015","15","10","4993","","10.1021/acs.cgd.5b00926","","","0.71073","MoKα","","0.2002","0.0598","","","0.1163","0.1455","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513550","9.4803","0.0006","9.7605","0.0006","10.9327","0.0008","110.84","0.006","90.352","0.005","99.701","0.005","929.53","0.11","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 Cl O4 -","- C20 H21 Cl O4 -","- C40 H42 Cl2 O8 -","2","1","","Tipduangta, Pratchaya; Takieddin, Khaled; Fábián, László; Belton, Peter; Qi, Sheng","A New Low Melting-Point Polymorph of Fenofibrate Prepared via Talc Induced Heterogeneous Nucleation","Crystal Growth & Design","2015","15","10","5011","","10.1021/acs.cgd.5b00956","","","0.71073","MoKα","","0.1217","0.0653","","","0.149","0.1834","","","","","","1.016","","","","has coordinates","170044","2020-10-21","18:00:00",""
"4513551","13.197","0.003","13.197","0.003","7.5613","0.0019","90","","90","","90","","1316.9","0.5","173","2","173","2","","","","","","","","4","I -4","I -4","82","TPPA","","","- C105 H24 O32 P4 -","- C25 H24 O12 P4 -","- C50 H48 O24 P8 -","2","0.25","","Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens","Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry","Crystal Growth & Design","2015","15","10","4925","","10.1021/acs.cgd.5b00811","","","0.71073","MoKα","","0.0504","0.0456","","","0.1017","0.1044","","","","","","1.061","","","","has coordinates","170043","2020-10-21","18:00:00",""
"4513552","17.265","0.002","17.265","0.002","7.181","0.002","90","","90","","90","","2140.5","0.7","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C32 H48 O16 P4 Si -","- C32 H48 O16 P4 Si -","- C64 H96 O32 P8 Si2 -","2","0.25","","Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens","Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry","Crystal Growth & Design","2015","15","10","4925","","10.1021/acs.cgd.5b00811","","","0.71073","MoKα","","0.0683","0.0502","","","0.1032","0.1106","","","","","","1.073","","","","has coordinates","170043","2020-10-21","18:00:00",""
"4513553","17.481","0.003","17.584","0.007","19.029","0.003","90","","113.18","0.01","90","","5377","3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 O12 P4 Si -","- C48 H72 O12 P4 Si -","- C192 H288 O48 P16 Si4 -","4","1","","Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens","Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry","Crystal Growth & Design","2015","15","10","4925","","10.1021/acs.cgd.5b00811","","","0.71073","MoKα","","0.1336","0.0814","","","0.2049","0.2443","","","","","","1.021","","","","has coordinates","170043","2020-10-21","18:00:00",""
"4513554","13.562","0.002","3.8415","0.0007","22.846","0.004","90","","93.241","0.007","90","","1188.3","0.3","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","4","","","- C15 H10 O5 -","- C15 H10 O5 -","- C60 H40 O20 -","4","2","","Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng","Insight into the Phase Transformation among Various Solid Forms of Baicalein","Crystal Growth & Design","2015","15","10","4959","","10.1021/acs.cgd.5b00858","","","0.71073","MoKα","","0.1729","0.0821","","","0.0884","0.1045","","","","","","1.123","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513555","3.7722","0.0018","19.907","0.009","16.748","0.009","90","","95.43","0.04","90","","1252","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4","","","- C15 H12 O6 -","- C15 H12 O6 -","- C60 H48 O24 -","4","1","","Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng","Insight into the Phase Transformation among Various Solid Forms of Baicalein","Crystal Growth & Design","2015","15","10","4959","","10.1021/acs.cgd.5b00858","","","0.71073","MoKα","","0.1117","0.0709","","","0.2029","0.2551","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513556","3.8097","0.0002","19.903","0.0011","16.2375","0.0008","90","","97.83","0.004","90","","1219.72","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4","","","- C15 H10 O5.5 -","- C15 H10 O5.572 -","- C60 H40 O22.288 -","4","1","","Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng","Insight into the Phase Transformation among Various Solid Forms of Baicalein","Crystal Growth & Design","2015","15","10","4959","","10.1021/acs.cgd.5b00858","","","0.71073","MoKα","","0.1593","0.0602","","","0.1006","0.1334","","","","","","0.976","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513560","15.2676","0.0015","6.8912","0.0007","26.705","0.003","90","","95.223","0.01","90","","2798","0.5","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C120 H136 N8 O48 -","8","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","x-ray","0.71073","MoKα","","0.062","0.0497","","","0.1201","0.1293","","","","","","1.057","","","","has coordinates","153922","2020-10-21","18:00:00",""
"4513561","8.425","0.0005","11.0485","0.0005","11.9865","0.0005","95.465","0.004","97.045","0.004","103.775","0.004","1066.47","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N3 O11 -","- C22 H21 N3 O11 -","- C44 H42 N6 O22 -","2","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","x-ray","0.71073","MoKα","","0.0554","0.0476","","","0.1208","0.1268","","","","","","1.055","","","","has coordinates","153923","2020-10-21","18:00:00",""
"4513562","6.672","0.0005","9.7266","0.0005","12.2504","0.0006","75.448","0.004","77.839","0.005","76.928","0.005","739.51","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","","0.71073","MoKα","","0.0519","0.0426","","","0.1013","0.1067","","","","","","1.037","","","","has coordinates","153924","2020-10-21","18:00:00",""
"4513563","6.993","0.0007","12.7693","0.0008","15.8817","0.0015","89.049","0.006","89.901","0.008","81.41","0.007","1402.1","0.2","99.99","0.11","99.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","2","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","x-ray","0.71073","MoKα","","0.1383","0.0826","","","0.155","0.1799","","","","","","1.091","","","","has coordinates","153925","2020-10-21","18:00:00",""
"4513564","12.1306","0.0003","8.6404","0.0002","15.1096","0.0004","90","","110.143","0.003","90","","1486.82","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O6 S -","- C15 H16 N2 O6 S -","- C60 H64 N8 O24 S4 -","4","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","","0.71073","MoKα","","0.04","0.0376","","","0.0988","0.1007","","","","","","1.032","","","","has coordinates","153926","2020-10-21","18:00:00",""
"4513565","11.4489","0.0008","13.1094","0.0009","19.6876","0.0014","90","","90","","90","","2954.9","0.4","275","2","275","2","","","","","","","see text","3","P n n m","-P 2 2n","58","","","","- C11 H18 O -","- C11 H19.3333 O -","- C132 H232 O12 -","12","1.5","","Hassine, Bacem Ben; Negrier, Philippe; Barrio, María; Mondieig, Denise; Massip, Stéphane; Tamarit, Josep Ll.","Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol","Crystal Growth & Design","2015","15","8","4149","","10.1021/acs.cgd.5b00764","","","1.54187","CuKα","","0.1065","0.0689","","","0.1675","0.1815","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513566","11.0746","0.0002","11.0746","0.0002","11.0746","0.0002","90","","90","","90","","1358.26","0.04","293","2","293","2","100","1","100","1","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0262","0.0223","","","0.0564","0.0631","","","","","","1.339","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513567","11.01439","0.00013","11.01439","0.00013","11.01439","0.00013","90","","90","","90","","1336.23","0.03","293","2","293","2","70000","5","70000","5","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0253","0.0247","","","0.0623","0.0631","","","","","","1.402","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513568","10.90107","0.00012","10.90107","0.00012","10.90107","0.00012","90","","90","","90","","1295.41","0.02","293","2","293","2","49000","5000","49000","5000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0295","0.028","","","0.0621","0.0658","","","","","","1.267","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513569","10.75596","0.0001","10.75596","0.0001","10.75596","0.0001","90","","90","","90","","1244.36","0.02","293","2","293","2","1260000","60000","1260000","60000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0287","0.0279","","","0.0695","0.0707","","","","","","1.251","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513570","10.60074","0.00013","10.60074","0.00013","10.60074","0.00013","90","","90","","90","","1191.27","0.03","293","2","293","2","2460000","50000","2460000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0299","0.0261","","","0.0676","0.0686","","","","","","1.206","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513571","10.5186","0.0002","10.5186","0.0002","10.5186","0.0002","90","","90","","90","","1163.79","0.04","293","2","293","2","3280000","90000","3280000","90000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0339","0.0284","","","0.0771","0.0818","","","","","","1.227","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513572","10.3877","0.0003","10.3877","0.0003","10.3877","0.0003","90","","90","","90","","1120.88","0.06","293","2","293","2","4640000","90000","4640000","90000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0346","0.0333","","","0.0886","0.0903","","","","","","1.294","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513573","10.2876","0.0004","10.2876","0.0004","10.2876","0.0004","90","","90","","90","","1088.79","0.07","293","2","293","2","6010000","70000","6010000","70000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0397","0.0378","","","0.0941","0.0959","","","","","","1.217","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513574","10.1821","0.0003","10.1821","0.0003","10.1821","0.0003","90","","90","","90","","1055.63","0.05","293","2","293","2","7710000","80000","7710000","80000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0343","0.0312","","","0.0749","0.0798","","","","","","1.195","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513575","10.0926","0.0004","10.0926","0.0004","10.0926","0.0004","90","","90","","90","","1028.04","0.07","293","2","293","2","9270000","90000","9270000","90000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0345","0.0333","","","0.0811","0.0823","","","","","","1.201","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513576","10.0124","0.0004","10.0124","0.0004","10.0124","0.0004","90","","90","","90","","1003.72","0.07","293","2","293","2","11080000","50000","11080000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0316","0.0297","","","0.0737","0.0755","","","","","","1.256","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513577","9.9313","0.0004","9.9313","0.0004","9.9313","0.0004","90","","90","","90","","979.53","0.07","293","2","293","2","12960000","60000","12960000","60000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0311","0.0293","","","0.0628","0.0655","","","","","","1.248","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513578","9.8525","0.0003","9.8525","0.0003","9.8525","0.0003","90","","90","","90","","956.4","0.05","293","2","293","2","15160000","70000","15160000","70000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0342","0.033","","","0.076","0.0766","","","","","","1.138","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513579","9.7729","0.0004","9.7729","0.0004","9.7729","0.0004","90","","90","","90","","933.41","0.07","293","2","293","2","17590000","50000","17590000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0342","0.0332","","","0.092","0.0933","","","","","","1.31","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513580","9.7082","0.0005","9.7082","0.0005","9.7082","0.0005","90","","90","","90","","914.99","0.08","293","2","293","2","20070000","90000","20070000","90000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.051","0.0475","","","0.128","0.1336","","","","","","1.297","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513581","9.6502","0.0004","9.6502","0.0004","9.6502","0.0004","90","","90","","90","","898.69","0.06","293","2","293","2","22270000","50000","22270000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0467","0.0448","","","0.1316","0.1327","","","","","","1.184","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513582","9.5895","0.0004","9.5895","0.0004","9.5895","0.0004","90","","90","","90","","881.84","0.06","293","2","293","2","25020000","70000","25020000","70000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0367","0.0341","","","0.0854","0.0883","","","","","","1.275","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513583","9.5367","0.0005","9.5367","0.0005","9.5367","0.0005","90","","90","","90","","867.35","0.08","293","2","293","2","27480000","50000","27480000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0534","0.0467","","","0.1171","0.1287","","","","","","1.318","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513584","9.4913","0.0005","9.4913","0.0005","9.4913","0.0005","90","","90","","90","","855.02","0.08","293","2","293","2","29830000","50000","29830000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0726","0.0584","","","0.1403","0.1676","","","","","","1.206","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513585","9.5962","0.0004","9.5962","0.0004","9.5962","0.0004","90","","90","","90","","883.69","0.06","293","2","293","2","24780000","50000","24780000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0415","0.0386","","","0.0813","0.0828","","","","","","1.332","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513586","9.7089","0.0004","9.7089","0.0004","9.7089","0.0004","90","","90","","90","","915.19","0.07","293","2","293","2","20040000","100000","20040000","100000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0368","0.0306","","","0.0705","0.0738","","","","","","1.277","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513587","9.8807","0.0004","9.8807","0.0004","9.8807","0.0004","90","","90","","90","","964.64","0.07","293","2","293","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.033","0.0296","","","0.0661","0.0716","","","","","","1.292","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513588","10.0509","0.0003","10.0509","0.0003","10.0509","0.0003","90","","90","","90","","1015.35","0.05","293","2","293","2","10130000","110000","10130000","110000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0263","0.0252","","","0.0622","0.0629","","","","","","1.132","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513589","10.3525","0.0003","10.3525","0.0003","10.3525","0.0003","90","","90","","90","","1109.52","0.06","293","2","293","2","5160000","50000","5160000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0238","0.0223","","","0.0599","0.0621","","","","","","1.275","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513590","11.06422","0.00019","11.06422","0.00019","11.06422","0.00019","90","","90","","90","","1354.45","0.04","293","2","293","2","20000","5","20000","5","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0342","0.0303","","","0.0616","0.0669","","","","","","1.164","","","","has coordinates","273129","2022-02-23","10:11:36",""
"4513591","11.0646","0.0002","11.0646","0.0002","11.0646","0.0002","90","","90","","90","","1354.59","0.04","293","2","293","2","100","1","100","1","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0354","0.0313","","","0.0609","0.0636","","","","","","1.202","","","","has coordinates","273129","2022-02-23","10:11:36",""
"4513592","16.9144","0.0006","29.9433","0.0009","18.654","0.0005","90","","113.636","0.001","90","","8655.2","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 N56 Ni9 O28 W6 -","- C124 H75 N56 Ni9 O28 W6 -","- C248 H150 N112 Ni18 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","x-ray","0.71075","MoKα","","0.0722","0.0515","","","0.1097","0.1226","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513593","8.6611","0.0017","5.208","0.0009","10.672","0.002","90","","110.561","0.006","90","","450.72","0.15","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine LT phase at 135K","Pyrrolidine - low temperature phase at 135K","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0673","0.0601","","","0.1721","0.1769","","","","","","1.189","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513594","8.74","0.002","5.2169","0.0013","10.816","0.003","90","","110.284","0.008","90","","462.6","0.2","205","2","205","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine LT phase at 205K","Pyrrolidine - low temperature phase at 205K","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0611","0.053","","","0.1417","0.1498","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513595","5.3132","0.0006","10.6916","0.0015","16.268","0.002","90","","90","","90","","924.1","0.2","165","2","165","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Pyrrolidine - HT phase at 165K","Pyrrolidine - high temperature phase at 165K","","- C4 H9 N -","- C4 H9 N -","- C32 H72 N8 -","8","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0556","0.0502","","","0.1356","0.1405","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513596","5.3112","0.0005","10.7769","0.0013","16.432","0.002","90","","90","","90","","940.54","0.18","207","2","207","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Pyrrolidine - HT phase at 207K","Pyrrolidine - high temperature phase at 207K","","- C4 H9 N -","- C4 H9 N -","- C32 H72 N8 -","8","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0701","0.0551","","","0.1403","0.1532","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513597","19.2938","0.001","12.359","0.0006","8.6638","0.0004","90","","98.098","0.001","90","","2045.3","0.17","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrrolidine hemihydrate at 190K","Pyrrolidine hemihydrate at 190K","","- C8 H20 N2 O -","- C8 H20 N2 O -","- C64 H160 N16 O8 -","8","2","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0879","0.0642","","","0.1659","0.1896","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513598","7.7347","0.0007","8.094","0.0008","8.6976","0.0008","90","","103.683","0.003","90","","529.06","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pyrrolidine hexahydrate - LT phase at 100K","Pyrrolidine hexahydrate - low temperature phase at 100K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C8 H42 N2 O12 -","2","0.5","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0553","0.0488","","","0.144","0.1525","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513599","7.7773","0.0012","8.1088","0.0012","8.6962","0.0013","90","","103.605","0.004","90","","533.03","0.14","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pyrrolidine hexahydrate - LT phase at 150K","Pyrrolidine hexahydrate - low temperature phase at 150K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C8 H42 N2 O12 -","2","0.5","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0472","0.0434","","","0.1149","0.1184","","","","","","1.186","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513600","7.8605","0.0009","8.1447","0.0008","8.6837","0.001","90","","103.559","0.004","90","","540.45","0.1","190","2","190","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pyrrolidine hexahydrate - LT phase at 190K","Pyrrolidine hexahydrate - low temperature phase at 190K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C8 H42 N2 O12 -","2","0.5","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0627","0.0556","","","0.1543","0.1641","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513601","12.9839","0.0019","10.3156","0.0015","8.2093","0.001","90","","90","","90","","1099.5","0.3","210","2","210","2","","","","","","","","4","C m c m","-C 2c 2","63","Pyrrolidine hexahydrate - HT phase at 210K","Pyrrolidine hexahydrate - high temperature phase at 210K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C16 H84 N4 O24 -","4","0.25","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0574","0.0545","","","0.14","0.1462","","","","","","1.124","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513602","13.044","0.002","10.3955","0.0016","8.225","0.0011","90","","90","","90","","1115.3","0.3","269","2","269","2","","","","","","","","4","C m c m","-C 2c 2","63","Pyrrolidine hexahydrate - HT phase at 269K","Pyrrolidine hexahydrate - high temperature phase at 269K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C16 H84 N4 O24 -","4","0.25","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.066","0.0645","","","0.1613","0.1636","","","","","","1.161","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513603","17.2166","0.0011","17.2166","0.0011","17.2166","0.0011","90","","90","","90","","5103.2","0.6","220","2","220","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","THF clathrate hydrate type sII","Tetrahydrofurane clathrate hydrate type sII","","- C4 H42 O18 -","- C4 H34 O18 -","- C32 H272 O144 -","8","0.0416667","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0493","0.0431","","","0.1263","0.1307","","","","","","1.127","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513604","8.2121","0.0011","11.6294","0.0015","17.864","0.002","86.45","0.002","80.388","0.002","83.515","0.002","1669.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cu3 N8 O5 -","- C28 H34 Cu3 N8 O5 -","- C56 H68 Cu6 N16 O10 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.1423","0.0717","","","0.1823","0.2208","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513605","12.872","0.003","12.975","0.003","13.308","0.003","119.156","0.003","94.785","0.003","110.309","0.003","1731.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Cu3 N8 O6 -","- C30 H40 Cu3 N8 O6 -","- C60 H80 Cu6 N16 O12 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.1006","0.0577","","","0.1315","0.1539","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513606","8.1127","0.0004","11.868","0.0007","18.2365","0.0011","87.362","0.003","80.026","0.002","89.25","0.002","1727.45","0.17","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.2 H36.62 Cu3 N8 O5 -","- C31.2045 H36.612 Cu3 N8 O5 -","- C62.409 H73.224 Cu6 N16 O10 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.062","0.0435","","","0.1329","0.1438","","","","","","1.061","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513607","12.486","0.008","12.753","0.008","13.882","0.009","62.927","0.006","65.953","0.007","70.069","0.007","1764","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H42 Cu3 N8 O6 -","- C31 H42 Cu3 N8 O6 -","- C62 H84 Cu6 N16 O12 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.1626","0.0937","","","0.2506","0.3121","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513608","10.97","0.007","12.495","0.008","13.287","0.008","86.549","0.006","73.839","0.006","68.911","0.005","1630.5","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 Cu3 N7 O5 -","- C28 H40 Cu3 N7 O5 -","- C56 H80 Cu6 N14 O10 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.2332","0.1003","","","0.2416","0.3135","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513609","23.068","0.005","19.934","0.004","22.714","0.005","90","","115.85","0.03","90","","9400","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H88 Eu3 N13 O45 -","- C72 H48 Eu3 N13 O35 -","- C288 H192 Eu12 N52 O140 -","4","0.5","","Liu, Jian-Jun; Guan, Ying-Fang; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Luminescent Coordination Polymer with Conjugated Lewis Acid Sites for the Detection of Organic Amines","Crystal Growth & Design","2015","15","10","5040","","10.1021/acs.cgd.5b01026","","","0.71073","MoKα","","0.0872","0.0706","","","0.1675","0.1775","","","","","","1.111","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513612","31.955","0.003","65.386","0.002","12.957","0.0016","90","","90","","90","","27072","4","293","2","293","2","","","","","","","","7","F 2 2 2","F 2 2","22","","","","- C51 H51 Ba Fe2 N5 Na O17 -","- C48 H40 Ba Fe2 N4 Na O14 -","- C768 H640 Ba16 Fe32 N64 Na16 O224 -","16","1","","Wang, Hui-Hui; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Heterotrimetallic Organic Framework Assembled with FeIII/BaII/NaIand Schiff Base: Structure and Visible Photocatalytic Degradation of Chlorophenols","Crystal Growth & Design","2015","15","10","4986","","10.1021/acs.cgd.5b00925","","","0.71069","MoKα","","0.1077","0.0818","","","0.2332","0.2554","","","","","","1.026","","","","has coordinates","170041","2020-10-21","18:00:00",""
"4513613","10.1554","0.0006","11.9247","0.0008","17.3021","0.0013","102.199","0.005","103.875","0.005","103.151","0.004","1900.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cd2 N6 O14 -","- C38 H30 Cd2 N6 O14 -","- C76 H60 Cd4 N12 O28 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.1099","0.0534","","","0.1081","0.1271","","","","","","0.919","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513614","7.95","0.003","9.073","0.003","27.881","0.01","89.3","0.005","84.163","0.005","67.577","0.004","1848.6","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 N6 O11 Zn2 -","- C40 H28 N6 O11 Zn2 -","- C80 H56 N12 O22 Zn4 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.0926","0.0574","","","0.1318","0.1426","","","","","","1.046","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513615","10.1647","0.0008","10.2164","0.0008","11.8881","0.001","76.318","0.005","71.923","0.005","86.198","0.005","1140.27","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O7 Zn -","- C24 H18 N4 O7 Zn -","- C48 H36 N8 O14 Zn2 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.0882","0.0534","","","0.1215","0.1362","","","","","","1.041","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513616","10.302","0.011","10.341","0.011","11.773","0.013","72.734","0.011","78.801","0.012","88.454","0.012","1174","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cd N4 O7 -","- C24 H20 Cd N4 O7 -","- C48 H40 Cd2 N8 O14 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.0396","0.0324","","","0.0777","0.0807","","","","","","1.1","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513617","9.54","0.007","12.277","0.009","12.44","0.009","112.112","0.007","110.466","0.007","100.432","0.008","1179.7","1.5","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O7 Zn -","- C24 H20 N4 O7 Zn -","- C48 H40 N8 O14 Zn2 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.0294","0.0266","","","0.0708","0.0722","","","","","","1.059","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513618","21.8715","0.0017","7.4843","0.0006","32.824","0.002","90","","94.418","0.005","90","","5357.1","0.7","230","2","230.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 Na O12 -","- C28 H18 N4 Na O12 -","- C224 H144 N32 Na8 O96 -","8","2","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","x-ray","0.71073","MoKα","","0.1391","0.0595","","","0.1624","0.1959","","","","","","0.986","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4513619","11.179","0.007","14.316","0.009","16.067","0.01","104.774","0.008","108.939","0.008","106.026","0.008","2163","2","213.15","","213.15","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H68 N16 O22 Zn4 -","- C96 H68 N16 O22 Zn4 -","- C96 H68 N16 O22 Zn4 -","1","0.5","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","x-ray","0.71073","MoKα","","0.12","0.0584","","","0.1296","0.1615","","","","","","0.962","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513620","21.981","0.007","8.284","0.002","19.472","0.005","90","","105","0.007","90","","3424.9","1.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N6 O10 Zn -","- C38 H26 N6 O10 Zn -","- C152 H104 N24 O40 Zn4 -","4","0.5","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.065","0.0409","","","0.0966","0.1044","","","","","","1.006","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513624","10.2311","0.0005","10.2311","0.0005","10.2311","0.0005","90","","90","","90","","1070.94","0.09","293","2","293","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- K6 Na2 Si46 -","- K3.42 Na4.58 Si46 -","- K3.42 Na4.58 Si46 -","1","0.0208333","","Dong, Yongkwan; Nolas, George S.","Crystal Growth through Field-Assisted Electrochemical Redox and Ion-Exchange Reactions: A Case Study of K4.2Na3.8Si46Clathrate-I","Crystal Growth & Design","2015","15","10","4731","","10.1021/acs.cgd.5b00329","","","1.54178","CuKα","","0.0247","0.0222","","","0.0519","0.0532","","","","","","1.127","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513625","10.2296","0.0004","10.2296","0.0004","10.2296","0.0004","90","","90","","90","","1070.47","0.07","100","2","100","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- K2 Na6 Si46 -","- K4.188 Na3.812 Si46 -","- K4.188 Na3.812 Si46 -","1","0.0208333","","Dong, Yongkwan; Nolas, George S.","Crystal Growth through Field-Assisted Electrochemical Redox and Ion-Exchange Reactions: A Case Study of K4.2Na3.8Si46Clathrate-I","Crystal Growth & Design","2015","15","10","4731","","10.1021/acs.cgd.5b00329","","","1.54178","CuKα","","0.0181","0.0181","","","0.0503","0.0503","","","","","","1.362","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513626","9.049","0.003","11.126","0.003","14.542","0.003","67.951","0.01","77.3","0.013","81.602","0.013","1320.5","0.6","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 F12 N4 O8 S4 -","- C16 H14 F12 N4 O8 S4 -","- C32 H28 F24 N8 O16 S8 -","2","1","","Tahara, Hironobu; Furue, Yutaro; Suenaga, Chie; Sagara, Takamasa","A Dialkyl Viologen Ionic Liquid: X-ray Crystal Structure Analysis of Bis(trifluoromethanesulfonyl)imide Salts","Crystal Growth & Design","2015","15","10","4735","","10.1021/acs.cgd.5b00645","","","0.71075","MoKα","","","0.0555","","","","0.1161","","","","","","1.043","","","","has coordinates","170037","2020-10-21","18:00:00",""
"4513627","10.8769","0.0012","11.3208","0.0016","16.916","0.003","106.575","0.01","98.754","0.012","108.981","0.013","1817.6","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 F12 N4 O8 S4 -","- C25 H27 F12 N4 O8 S4 -","- C50 H54 F24 N8 O16 S8 -","2","1","","Tahara, Hironobu; Furue, Yutaro; Suenaga, Chie; Sagara, Takamasa","A Dialkyl Viologen Ionic Liquid: X-ray Crystal Structure Analysis of Bis(trifluoromethanesulfonyl)imide Salts","Crystal Growth & Design","2015","15","10","4735","","10.1021/acs.cgd.5b00645","","","0.71075","MoKα","","","0.053","","","","0.1458","","","","","","1.065","","","","has coordinates","170037","2020-10-21","18:00:00",""
"4513628","8.3688","0.0019","9.14","0.002","13.487","0.003","90","","100.234","0.004","90","","1015.2","0.4","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 -","- C16 H10 -","- C64 H40 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0881","0.046","","","0.1006","0.119","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513629","6.8822","0.0013","13.238","0.002","9.2058","0.0017","90","","106.261","0.003","90","","805.2","0.2","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F6 -","- C22 H10 F6 -","- C44 H20 F12 -","2","0.5","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0413","0.0352","","","0.0911","0.0951","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513630","9.1973","0.0012","13.6331","0.0018","14.3279","0.0015","90","","112.02","0.006","90","","1665.5","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Cl F5 -","- C22 H10 Cl F5 -","- C88 H40 Cl4 F20 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0608","0.0468","","","0.1282","0.1385","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513631","9.155","0.003","13.793","0.004","13.924","0.005","91.993","0.005","105.843","0.006","90.323","0.006","1690.2","1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Br F5 -","- C22 H10 Br F5 -","- C88 H40 Br4 F20 -","4","2","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.1169","0.0753","","","0.1899","0.2154","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513632","12.267","0.0019","15.636","0.002","9.2024","0.0014","90","","97.593","0.003","90","","1749.6","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F5 I -","- C22 H10 F5 I -","- C88 H40 F20 I4 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0476","0.0367","","","0.0849","0.0901","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513633","11.9762","0.0014","15.3782","0.0017","9.7871","0.0011","90","","99.867","0.002","90","","1775.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C88 H40 Br8 F16 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0425","0.0311","","","0.0669","0.0698","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513634","14.458","0.004","8.874","0.002","17.339","0.003","90","","126.716","0.015","90","","1783.3","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C88 H40 Br8 F16 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.1096","0.0584","","","0.1292","0.1493","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513635","7.046","0.004","8.334","0.004","8.623","0.005","116.29","0.008","90.15","0.009","102.722","0.009","439.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","1","0.5","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0495","0.0422","","","0.095","0.0984","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513636","10.137","0.006","11.802","0.007","13.768","0.008","86.899","0.012","89.523","0.009","88.343","0.011","1644","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 N3 O19.5 P3 Zn3 -","- C17 H27 N8 O19.5 P3 Zn3 -","- C34 H54 N16 O39 P6 Zn6 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two New Zinc Phosphonates with Triazine-Based Phosphonic Acids","Crystal Growth & Design","2015","15","10","5021","","10.1021/acs.cgd.5b00983","","","0.71073","MoKα","","0.113","0.0829","","","0.2081","0.2276","","","","","","1.091","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513637","15.444","0.008","17.895","0.01","8.979","0.005","90","","90","","90","","2482","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H29 N7 O14 P2 Zn2 -","- C14 H8 N7 O14 P2 Zn2 -","- C56 H32 N28 O56 P8 Zn8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two New Zinc Phosphonates with Triazine-Based Phosphonic Acids","Crystal Growth & Design","2015","15","10","5021","","10.1021/acs.cgd.5b00983","","","0.71073","MoKα","","0.0697","0.0617","","","0.1548","0.1594","","","","","","1.195","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513638","19.4044","0.0006","19.4044","0.0006","39.924","0.003","90","","90","","90","","15032.6","1.3","173","2","173","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C48 H24 Cu2 N8 O56 P W12 -","- C48 H24 Cu2 N8 O56 P W12 -","- C192 H96 Cu8 N32 O224 P4 W48 -","4","0.125","","Liao, Jian-Zhen; Wu, Xiao-Yuan; Yong, Jian-Ping; Zhang, Hai-Long; Yang, Wen-Bing; Yu, Rongmin; Lu, Can-Zhong","Anion−π Interaction-Directed Assembly of Polyoxometalate-Based Host‒Guest Compounds and Its Contribution to Photochromism","Crystal Growth & Design","2015","15","10","4952","","10.1021/acs.cgd.5b00857","","","0.71073","MoKα","","0.0619","0.0535","","","0.1568","0.1641","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513639","16.1091","0.0008","24.0118","0.0017","30.5833","0.0016","90","","96.215","0.005","90","","11760.4","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 Cu N6 O47 P W12 -","- C35 H37 Cu N6 O47 P W12 -","- C140 H148 Cu4 N24 O188 P4 W48 -","4","1","","Liao, Jian-Zhen; Wu, Xiao-Yuan; Yong, Jian-Ping; Zhang, Hai-Long; Yang, Wen-Bing; Yu, Rongmin; Lu, Can-Zhong","Anion−π Interaction-Directed Assembly of Polyoxometalate-Based Host‒Guest Compounds and Its Contribution to Photochromism","Crystal Growth & Design","2015","15","10","4952","","10.1021/acs.cgd.5b00857","","","1.54184","CuKα","","0.1605","0.0899","","","0.1921","0.2154","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513640","8.543","0.0011","12.8679","0.0016","14.3027","0.0018","66.316","0.001","74.6","0.001","71.094","0.001","1345.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-Bis(m-chlorodiphenylurea)/TPPO","","","- C31 H25 Cl2 N2 O2 P -","- C31 H25 Cl2 N2 O2 P -","- C62 H50 Cl4 N4 O4 P2 -","2","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.0319","0.0287","","","0.0798","0.0817","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513641","9.7142","0.0009","11.6676","0.0011","12.9154","0.0012","77.063","0.001","80.745","0.001","68.912","0.001","1325.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","m-chlorodiphenylurea /TPPO","","","- C31 H26 Cl N2 O2 P -","- C31 H26 Cl N2 O2 P -","- C62 H52 Cl2 N4 O4 P2 -","2","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.0471","0.0384","","","0.0969","0.1007","","","","","","1.085","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513642","11.5017","0.0006","16.714","0.0009","15.4037","0.0008","90","","111.476","0.001","90","","2755.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","mNMePu TPPO","","","- C32 H28 N3 O4 P -","- C32 H28 N3 O4 P -","- C128 H112 N12 O16 P4 -","4","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.0412","0.036","","","0.0951","0.0994","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513643","9.7475","0.0012","11.6042","0.0014","13.018","0.0015","77.883","0.002","80.275","0.002","69.372","0.002","1340.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","m-nitrodiphenyl urea : TPPO","","","- C31 H26 N3 O4 P -","- C31 H26 N3 O4 P -","- C62 H52 N6 O8 P2 -","2","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.0521","0.0423","","","0.0939","0.0998","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513644","9.0796","0.0012","11.9729","0.0015","14.629","0.0018","66.121","0.001","81.015","0.001","83.584","0.001","1434.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3Bis(m-trifluorotolyldiphenylurea)/TPPO","","","- C33 H25 F6 N2 O2 P -","- C33 H25 F6 N2 O2 P -","- C66 H50 F12 N4 O4 P2 -","2","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.04","0.0372","","","0.0964","0.0989","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513645","10.3006","0.0011","15.9958","0.0018","19.225","0.002","90","","90","","90","","3167.6","0.6","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","2","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","One- and Two-Step Self-Assembly Processes in Zn(II) Supramolecular Frameworks with Ditopic Bis(pyrazolyl)methane Ligands. Chiral Recognition and Formation of Cyclic Helicates","Crystal Growth & Design","2015","15","11","5174","","10.1021/acs.cgd.5b01150","","","0.71073","MoKα","","0.1539","0.0621","","","0.1421","0.1785","","","","","","0.901","","","","has coordinates","170050","2020-10-21","18:00:00",""
"4513646","34.25","0.004","13.4692","0.0013","16.482","0.0016","90","","117.008","0.002","90","","6774.3","1.2","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N14 O13 Zn2 -","- C25 H25 N14 O13 Zn2 -","- C200 H200 N112 O104 Zn16 -","8","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","One- and Two-Step Self-Assembly Processes in Zn(II) Supramolecular Frameworks with Ditopic Bis(pyrazolyl)methane Ligands. Chiral Recognition and Formation of Cyclic Helicates","Crystal Growth & Design","2015","15","11","5174","","10.1021/acs.cgd.5b01150","","","0.71073","MoKα","","0.0977","0.0524","","","0.1043","0.1195","","","","","","0.99","","","","has coordinates","170050","2020-10-21","18:00:00",""
"4513647","36.018","0.003","36.018","0.003","21.452","0.002","90","","90","","120","","24101","4","290","2","290","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C120 H126 N30 O42 Zn6 -","- C120 H126 N30 O42 Zn6 -","- C720 H756 N180 O252 Zn36 -","6","0.166667","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","One- and Two-Step Self-Assembly Processes in Zn(II) Supramolecular Frameworks with Ditopic Bis(pyrazolyl)methane Ligands. Chiral Recognition and Formation of Cyclic Helicates","Crystal Growth & Design","2015","15","11","5174","","10.1021/acs.cgd.5b01150","","","0.71073","MoKα","","0.1292","0.0905","","","0.2763","0.3167","","","","","","1.167","","","","has coordinates","170050","2020-10-21","18:00:00",""
"4513649","19.366","0.002","7.5362","0.0008","12.7737","0.0013","90","","97.854","0.001","90","","1846.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis-dibromido{(S)-2,2'-diamino-1,1'-binaphthaline}palladium(II)","","- C20 H16 Br2 N2 Pd -","- C20 H16 Br2 N2 Pd -","- C80 H64 Br8 N8 Pd4 -","4","1","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0269","0.024","","","0.0523","0.0539","","","","","","0.752","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4513650","19.3363","0.0007","7.5375","0.0003","12.7658","0.0005","90","","97.841","0.001","90","","1843.19","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis-dibromido{(R)-2,2'-diamino-1,1'-binaphthaline}palladium(II)","","- C20 H16 Br2 N2 Pd -","- C20 H16 Br2 N2 Pd -","- C80 H64 Br8 N8 Pd4 -","4","1","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0222","0.0194","","","0.037","0.0378","","","","","","0.898","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4513651","19.328","0.003","7.4478","0.0013","12.577","0.002","90","","97.27","0.002","90","","1795.9","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis-dichlorido{(S)-2,2'-diamino-1,1'-binaphthaline}palladium(II)","","- C20 H16 Cl2 N2 Pd -","- C20 H16 Cl2 N2 Pd -","- C80 H64 Cl8 N8 Pd4 -","4","1","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0238","0.0219","","","0.0512","0.0525","","","","","","1.074","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4513652","15.7679","0.0001","15.7679","0.0001","32.7215","0.0005","90","","90","","90","","8135.44","0.14","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","cis-dibromido(methyl-4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-glucopyranoside)palladium(II)","","- C14.75 H21.5 Br2 Cl1.5 N2 O4 Pd -","- C14.75 H21.5 Br2 Cl1.5 N2 O4 Pd -","- C236 H344 Br32 Cl24 N32 O64 Pd16 -","16","2","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0362","0.0298","","","0.0642","0.0666","","","","","","1.045","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513659","8.2898","0.0008","9.0365","0.0008","15.8931","0.0016","84.845","0.008","84.909","0.008","74.567","0.008","1140.38","0.19","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H54 N8 Si2 -","- C52 H54 N8 Si2 -","- C52 H54 N8 Si2 -","1","0.5","","An, Cunbin; Guo, Xin; Baumgarten, Martin","Highly Ordered Phenanthroline-Fused Azaacene","Crystal Growth & Design","2015","15","11","5240","","10.1021/acs.cgd.5b00701","","","0.71073","MoKα","","0.0987","0.0513","","","0.1185","0.1386","","","","","","0.981","","","","has coordinates,has disorder","170053","2020-10-21","18:00:00",""
"4513660","8.0609","0.0006","16.2948","0.0011","17.462","0.0012","70.798","0.005","85.053","0.006","82.202","0.006","2143.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Cl2 N6 S Si2 -","- C41 H50 Cl2 N6 S Si2 -","- C82 H100 Cl4 N12 S2 Si4 -","2","1","","An, Cunbin; Guo, Xin; Baumgarten, Martin","Highly Ordered Phenanthroline-Fused Azaacene","Crystal Growth & Design","2015","15","11","5240","","10.1021/acs.cgd.5b00701","","","1.54178","CuKα","","0.2024","0.1389","","","0.3076","0.3425","","","","","","1.805","","","","has coordinates,has disorder","170053","2020-10-21","18:00:00",""
"4513665","7.57","0.003","11.473","0.003","13.139","0.003","64.605","0.007","79.964","0.018","75.83","0.02","996.4","0.5","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N2 Se -","- C26 H16 N2 Se -","- C52 H32 N4 Se2 -","2","1","","Mondal, Sahidul; Konda, Maruthi; Kauffmann, Brice; Manna, Manoj K.; Das, Apurba K.","Effects of Donor and Acceptor Units Attached with Benzoselenadiazole: Optoelectronic and Self-Assembling Patterns","Crystal Growth & Design","2015","15","11","5548","","10.1021/acs.cgd.5b01179","","","1.54178","CuKα","","0.0839","0.0717","","","0.2257","0.2293","","","","","","1.033","","","","has coordinates","170049","2020-10-21","18:00:00",""
"4513666","13.979","0.002","7.2774","0.0013","32.707","0.006","90","","99.187","0.005","90","","3284.6","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 Se -","- C20 H16 N2 O2 Se -","- C160 H128 N16 O16 Se8 -","8","2","","Mondal, Sahidul; Konda, Maruthi; Kauffmann, Brice; Manna, Manoj K.; Das, Apurba K.","Effects of Donor and Acceptor Units Attached with Benzoselenadiazole: Optoelectronic and Self-Assembling Patterns","Crystal Growth & Design","2015","15","11","5548","","10.1021/acs.cgd.5b01179","","","1.54178","CuKα","","0.0343","0.0318","","","0.0829","0.0842","","","","","","1.124","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513667","7.3145","0.0012","12.604","0.0014","12.3506","0.0019","90","","106.747","0.016","90","","1090.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 I N2 -","- C25 H27 I N2 -","- C50 H54 I2 N4 -","2","1","","Chen, Honghong; Ma, Qi; Zhou, Yuqiao; Yang, Zhou; Jazbinsek, Mojca; Bian, Yongzhong; Ye, Ning; Wang, Dong; Cao, Hui; He, Wanli","Engineering of Organic Chromophores with Large Second-Order Optical Nonlinearity and Superior Crystal Growth Ability","Crystal Growth & Design","2015","15","11","5560","","10.1021/acs.cgd.5b01216","","","0.71073","MoKα","","0.0314","0.026","","","0.0551","0.0568","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513668","12.3912","0.0015","7.216","0.0008","16.781","0.002","90","","92.145","0.011","90","","1499.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 I N2 O S -","- C29 H45 I N2 O S -","- C29 H45 I N2 O S -","1","0.5","","Chen, Honghong; Ma, Qi; Zhou, Yuqiao; Yang, Zhou; Jazbinsek, Mojca; Bian, Yongzhong; Ye, Ning; Wang, Dong; Cao, Hui; He, Wanli","Engineering of Organic Chromophores with Large Second-Order Optical Nonlinearity and Superior Crystal Growth Ability","Crystal Growth & Design","2015","15","11","5560","","10.1021/acs.cgd.5b01216","","","0.71073","MoKα","","0.0715","0.0591","","","0.1677","0.1813","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513669","11.9049","0.0008","12.9122","0.0009","14.2096","0.0016","90","","92.885","0.01","90","","2181.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I N2 O S -","- C23 H27 I N2 O S -","- C92 H108 I4 N8 O4 S4 -","4","1","","Chen, Honghong; Ma, Qi; Zhou, Yuqiao; Yang, Zhou; Jazbinsek, Mojca; Bian, Yongzhong; Ye, Ning; Wang, Dong; Cao, Hui; He, Wanli","Engineering of Organic Chromophores with Large Second-Order Optical Nonlinearity and Superior Crystal Growth Ability","Crystal Growth & Design","2015","15","11","5560","","10.1021/acs.cgd.5b01216","","","0.71073","MoKα","","0.076","0.0632","","","0.1464","0.1527","","","","","","1.063","","","","has coordinates","170048","2020-10-21","18:00:00",""
"4513670","5.6056","0.0006","8.907","0.001","19.523","0.003","79.8","0.02","83.5","0.02","81.78","0.02","945.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[C1C12triaz]I","","","- C15 H30 I N3 -","- C15 H30 I N3 -","- C30 H60 I2 N6 -","2","1","","Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja-Verena","Mesophase Stabilization in Ionic Liquid Crystals through Pairing Equally Shaped Mesogenic Cations and Anions","Crystal Growth & Design","2015","15","11","5388","","10.1021/acs.cgd.5b01023","","","0.71073","MoKα","","0.0771","0.0448","","","0.0716","0.0825","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513671","8.5428","0.0001","10.3685","0.0002","41.7163","0.0006","95.789","0.001","93.071","0.001","98.116","0.001","3630.76","0.1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H63.25 N3 O4.25 S -","- C35 H63.328 N3 O4.164 S -","- C140 H253.312 N12 O16.656 S4 -","4","2","","Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja-Verena","Mesophase Stabilization in Ionic Liquid Crystals through Pairing Equally Shaped Mesogenic Cations and Anions","Crystal Growth & Design","2015","15","11","5388","","10.1021/acs.cgd.5b01023","","","1.54184","CuKα","","0.0414","0.0373","","","0.0983","0.1011","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513672","10.9329","0.0006","28.934","0.0013","15.0328","0.0007","90","","90.37","0.005","90","","4755.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Co3 N2 O17 -","- C48 H32 Co3 N2 O17 -","- C192 H128 Co12 N8 O68 -","4","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71073","MoKα","","0.057","0.0438","","","0.1105","0.1205","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513673","33.24","0.003","11.4583","0.0006","16.7276","0.0009","90","","102.785","0.007","90","","6213.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H50 Co3 N6 O18 -","- C34 H25 Co1.5 N3 O9 -","- C272 H200 Co12 N24 O72 -","8","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71073","MoKα","","0.0792","0.0536","","","0.1162","0.1331","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513674","8.8481","0.0009","12.215","0.003","15.904","0.002","85.741","0.015","75.085","0.01","76.445","0.013","1614.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 Co2 N4 O10 -","- C37 H27 Co2 N4 O10 -","- C74 H54 Co4 N8 O20 -","2","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71073","MoKα","","0.0784","0.0526","","","0.1082","0.1294","","","","","","1.033","","","","has coordinates","170779","2020-10-21","18:00:00",""
"4513675","11.7607","0.0017","11.8567","0.0017","13.6483","0.0016","99.178","0.011","104.016","0.011","114.946","0.014","1598.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Co3 N12 O16 -","- C37 H26 Co1.5 N6 O8 -","- C74 H52 Co3 N12 O16 -","2","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71073","MoKα","","0.0687","0.0494","","","0.1119","0.1304","","","","","","1.056","","","","has coordinates","170779","2020-10-21","18:00:00",""
"4513676","11.852","0.003","12.333","0.007","14.889","0.007","92.06","0.07","109.36","0.04","106.58","0.04","1947.3","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 Co3 N12 O14 -","- C92 H60 Co3 N12 O14 -","- C92 H60 Co3 N12 O14 -","1","0.5","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71","MoKα","","0.124","0.0744","","","0.1762","0.2263","","","","","","1.041","","","","has coordinates","170779","2020-10-21","18:00:00",""
"4513681","7.8486","0.0013","9.7046","0.0016","10.4672","0.0019","104.171","0.01","110.512","0.01","107.425","0.01","655.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","4","","","- C15 H12 O6 -","- C15 H12 O6 -","- C30 H24 O12 -","2","1","","Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng","Insight into the Phase Transformation among Various Solid Forms of Baicalein","Crystal Growth & Design","2015","15","10","4959","","10.1021/acs.cgd.5b00858","","","0.71073","MoKα","","0.0692","0.0418","","","0.1132","0.1283","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513682","15.508","0.011","19.22","0.013","25.211","0.017","90","","90","","90","","7514","9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H40 N10 O15 Zn5 -","- C39 H40 N10 O15 Zn5 -","- C156 H160 N40 O60 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.1016","0.0551","","","0.1619","0.17","","","","","","0.892","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513683","15.585","0.004","19.237","0.005","25.305","0.007","90","","90","","90","","7587","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H48 N10 O22 Zn5 -","- C39 H48 N10 O22 Zn5 -","- C156 H192 N40 O88 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.2056","0.1067","","","0.2725","0.3441","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513684","15.4775","0.0009","19.1313","0.0012","25.544","0.0015","90","","90","","90","","7563.7","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H83 N19 O19 Zn5 -","- C56 H83 N19 O19 Zn5 -","- C224 H332 N76 O76 Zn20 -","4","1","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0521","0.0435","","","0.1265","0.1333","","","","","","1.078","","","","has coordinates","170783","2020-10-21","18:00:00",""
"4513685","15.1796","0.0019","19.303","0.002","25.806","0.003","90","","90","","90","","7561.5","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H50 N10 O17 Zn5 -","- C45 H50 N10 O17 Zn5 -","- C180 H200 N40 O68 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.1257","0.0594","","","0.1515","0.1922","","","","","","1.051","","","","has coordinates","170783","2020-10-21","18:00:00",""
"4513686","15.578","0.008","19.131","0.01","25.039","0.014","90","","90","","90","","7462","7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H42 N10 O17.5 Zn5 -","- C39 H42 N10 O17.5 Zn5 -","- C156 H168 N40 O70 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0779","0.0573","","","0.1673","0.1817","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513687","15.4115","0.0016","19.185","0.002","25.471","0.003","90","","90","","90","","7531","1.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H41.5 N11.5 O15 Zn5 -","- C39 H41.5 N11.5 O15 Zn5 -","- C156 H166 N46 O60 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0753","0.0598","","","0.1889","0.2102","","","","","","1.133","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513688","15.1988","0.0013","19.2039","0.0016","25.754","0.002","90","","90","","90","","7517","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42 H44 N10 O15.5 Zn5 -","- C42 H44 N10 O15.5 Zn5 -","- C168 H176 N40 O62 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0667","0.0516","","","0.1703","0.1885","","","","","","1.158","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513689","22.9097","0.001","6.891","0.0003","14.4132","0.0006","90","","106.62","0.004","90","","2180.36","0.17","100.02","0.13","100.02","0.13","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H14 Cd1.5 N2 O9 -","- C16 H14 Cd1.5 N2 O9 -","- C64 H56 Cd6 N8 O36 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54184","CuKα","","0.0446","0.0426","","","0.1122","0.1144","","","","","","1.008","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513690","22.8156","0.0011","6.9955","0.0004","14.4043","0.0007","90","","106.694","0.005","90","","2202.1","0.2","100.12","0.1","100.12","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H10 Cd1.5 N2 O9 -","- C16 H10 Cd1.5 N2 O9 -","- C64 H40 Cd6 N8 O36 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54184","CuKα","","0.0458","0.0422","","","0.1141","0.1185","","","","","","0.974","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513691","13.4617","0.0003","19.9956","0.0003","17.2734","0.0003","90","","110.777","0.002","90","","4347.19","0.15","99.99","0.18","99.99","0.18","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H77 Cd3 N10 O15 -","- C80 H77 Cd3 N10 O15 -","- C160 H154 Cd6 N20 O30 -","2","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54178","CuKα","","0.0493","0.047","","","0.1209","0.1239","","","","","","1.051","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513692","15.081","0.0005","14.538","0.0004","17.935","0.0005","90","","95.951","0.003","90","","3911","0.2","100","0.16","100","0.16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H48 Cd3 N10 O15 -","- C64 H48 Cd3 N10 O15 -","- C128 H96 Cd6 N20 O30 -","2","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54178","CuKα","","0.0594","0.0554","","","0.1465","0.1504","","","","","","1.065","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513693","15.8454","0.0012","20.9947","0.0015","13.9809","0.0007","90","","90","","90","","4651","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H23 Cd1.5 N4 O7 -","- C32 H23 Cd1.5 N4 O7 -","- C128 H92 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","0.71073","MoKα","","0.0542","0.0451","","","0.1267","0.1327","","","","","","0.883","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513694","15.7264","0.0006","20.8072","0.0011","13.9774","0.0006","90","","90","","90","","4573.7","0.4","293.05","0.1","293.05","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H24 Cd1.5 N4 O7 -","- C31.5 H24 Cd1.5 N4 O7 -","- C126 H96 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54178","CuKα","","0.0717","0.0627","","","0.1689","0.1781","","","","","","1.056","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513695","15.9125","0.0003","20.9486","0.0004","13.9023","0.0002","90","","90","","90","","4634.26","0.14","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H24 Cd1.5 N4 O7 -","- C32 H24 Cd1.5 N4 O7 -","- C128 H96 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","0.71073","MoKα","","0.0393","0.0373","","","0.1245","0.1269","","","","","","1.085","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513696","15.9133","0.0008","20.9595","0.0009","13.9143","0.0006","90","","90","","90","","4640.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H25 Cd1.5 N4 O7 -","- C32 H25 Cd1.5 N4 O7 -","- C128 H100 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","0.71073","MoKα","","0.0574","0.0454","","","0.1157","0.1205","","","","","","1.071","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513697","17.5729","0.0018","7.8008","0.0008","14.8637","0.0015","90","","113.662","0.002","90","","1866.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lamotrigine cinnamic acid salt cocrystal","6-(2,3-dichlorophenyl)-1,2,4-trigine-3,5-dimine-(E)-3-phenylprop-2-enoic acid salt cocrystal","","- C18 H15 Cl2 N5 O2 -","- C18 H15 Cl2 N5 O2 -","- C72 H60 Cl8 N20 O8 -","4","1","","Thipparaboina, Rajesh; Kumar, Dinesh; Mittapalli, Sudhir; Balasubramanian, Sridhar; Nangia, Ashwini; Shastri, Nalini R.","Ionic, Neutral, and Hybrid Acid‒Base Crystalline Adducts of Lamotrigine with Improved Pharmaceutical Performance","Crystal Growth & Design","2015","15","12","5816","","10.1021/acs.cgd.5b01187","","","0.71073","MoKα","","0.0522","0.0447","","","0.1194","0.1266","","","","","","1.048","","","","has coordinates,has disorder","170782","2020-10-21","18:00:00",""
"4513698","10.7918","0.0009","13.6805","0.0012","13.8215","0.0012","90","","110.504","0.001","90","","1911.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lamotrigine-vanilline cocrystal","6-(2,3-dichlorophenyl)-1,2,4-trigine-3,5-dimine-4-hydroxy-3-methoxybenzaldehyde","","- C17 H15 Cl2 N5 O3 -","- C17 H15 Cl2 N5 O3 -","- C68 H60 Cl8 N20 O12 -","4","1","","Thipparaboina, Rajesh; Kumar, Dinesh; Mittapalli, Sudhir; Balasubramanian, Sridhar; Nangia, Ashwini; Shastri, Nalini R.","Ionic, Neutral, and Hybrid Acid‒Base Crystalline Adducts of Lamotrigine with Improved Pharmaceutical Performance","Crystal Growth & Design","2015","15","12","5816","","10.1021/acs.cgd.5b01187","","","0.71073","MoKα","","0.048","0.0428","","","0.1182","0.1238","","","","","","1.041","","","","has coordinates","170782","2020-10-21","18:00:00",""
"4513699","8.8408","0.0005","10.9916","0.0006","12.1332","0.0005","111.359","0.004","111.196","0.005","93.988","0.005","995.9","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","lamotriginium-salicylate acetonitrile solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium-salicylate-acetonitrile solvate","","- C18 H16 Cl2 N6 O3 -","- C18 H16 Cl2 N6 O3 -","- C36 H32 Cl4 N12 O6 -","2","1","","Thipparaboina, Rajesh; Kumar, Dinesh; Mittapalli, Sudhir; Balasubramanian, Sridhar; Nangia, Ashwini; Shastri, Nalini R.","Ionic, Neutral, and Hybrid Acid‒Base Crystalline Adducts of Lamotrigine with Improved Pharmaceutical Performance","Crystal Growth & Design","2015","15","12","5816","","10.1021/acs.cgd.5b01187","","","1.54184","CuKα","","0.0715","0.0689","","","0.1992","0.2021","","","","","","1.078","","","","has coordinates","170782","2020-10-21","18:00:00",""
"4513700","5.3489","","6.6509","","17.1429","","85.8818","","82.6144","","88.9028","","603.207","","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","1","0.5","","Zhang, Qian-Chong; Takeda, Takashi; Hoshino, Norihisa; Noro, Shin-ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Liquid Crystalline Phase Induced by Molecular Rotator and Dipole Fluctuation","Crystal Growth & Design","2015","15","12","5705","","10.1021/acs.cgd.5b00695","","","1.54187","CuKα","","0.1309","0.0952","","","0.2261","0.267","","","","","","0.947","","","","has coordinates","170781","2020-10-21","18:00:00",""
"4513701","5.3499","","6.6535","","17.1551","","85.881","","82.6239","","88.9109","","603.998","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H34 N3 O2 -","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","1","0.5","","Zhang, Qian-Chong; Takeda, Takashi; Hoshino, Norihisa; Noro, Shin-ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Liquid Crystalline Phase Induced by Molecular Rotator and Dipole Fluctuation","Crystal Growth & Design","2015","15","12","5705","","10.1021/acs.cgd.5b00695","","","1.54187","CuKα","","0.1116","0.0891","","","0.2275","0.2516","","","","","","0.954","","","","has coordinates","170781","2020-10-21","18:00:00",""
"4513829","5.684","0.003","8.567","0.0006","6.8598","0.0008","90","","107.97","0.03","90","","317.74","0.18","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","","0.71073","MoKα","","0.0414","0.0335","","","0.0855","0.0907","","","","","","1.082","","","","has coordinates,has disorder","244843","2020-10-21","18:00:00",""
"4513830","5.521","0.012","8.3045","0.0005","6.716","0.002","90","","107.89","0.11","90","","293","0.7","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","","0.71073","MoKα","","0.0249","0.0235","","","0.0593","0.0601","","","","","","1.097","","","","has coordinates,has disorder","244843","2020-10-21","18:00:00",""
"4513831","5.678","0.0009","8.6234","0.0015","6.9697","0.0011","90","","108.215","0.017","90","","324.16","0.1","100","","100","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0503","0.0473","","","0.1257","0.1276","","","","","","1.092","","","","has coordinates,has disorder","244843","2020-10-21","18:00:00",""
"4513832","5.694","0.0009","8.6422","0.0014","6.977","0.001","90","","108.275","0.016","90","","326.01","0.09","120","2","120","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0512","0.0485","","","0.1359","0.1378","","","","","","1.095","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513833","5.6991","0.0011","8.6352","0.0016","6.9739","0.0013","90","","108.17","0.02","90","","326.09","0.11","140","2","140","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0521","0.048","","","0.1174","0.12","","","","","","1.12","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513834","5.725","0.001","8.6801","0.0017","6.9895","0.0012","90","","108.21","0.02","90","","329.94","0.11","160","","160","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0479","0.0401","","","0.0918","0.0963","","","","","","1.086","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513835","5.7409","0.001","8.7209","0.0016","7.0062","0.0012","90","","108.314","0.019","90","","333","0.11","180","","180","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0737","0.0621","","","0.1677","0.1805","","","","","","1.09","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513836","5.7643","0.0011","8.7576","0.0019","7.0178","0.0014","90","","108.25","0.02","90","","336.45","0.12","200","","200","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0786","0.0646","","","0.1768","0.1896","","","","","","1.064","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4516259","12.15","0.002","12.15","0.002","24.405","0.002","90","","90","","90","","3602.7","0.9","98","2","98","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C6 H13 N7 O -","- C6 H13 N7 O -","- C96 H208 N112 O16 -","16","1","","Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin","Solvent Dependent Structures of Melamine: Porous or Nonporous?","Crystal Growth & Design","2015","15","4","1871","","10.1021/acs.cgd.5b00039","","","0.71073","MoKα","","0.1","0.085","","","0.1756","0.1835","","","","","","1.016","","","","has coordinates","231213","2020-10-21","18:00:00",""
"4516260","12.2365","0.0008","12.2365","0.0008","24.574","0.003","90","","90","","90","","3679.5","0.6","100","2","100","2","","","","","","","","3","I 41","I 4bw","80","Melamine","","","- C13 H20 N12 -","- C13 H20 N12 -","- C104 H160 N96 -","8","1","","Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin","Solvent Dependent Structures of Melamine: Porous or Nonporous?","Crystal Growth & Design","2015","15","4","1871","","10.1021/acs.cgd.5b00039","","","0.71073","MoKα","","0.1036","0.1025","","","0.1758","0.1954","","","","","","1.981","","","","has coordinates","231214","2020-10-21","18:00:00",""
"4516261","7.2789","0.0003","7.4799","0.0003","10.3316","0.0004","90","","108.495","0.004","90","","533.46","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","MA-1-H2O","","","- C3 H6 N6 -","- C3 H6 N6 -","- C12 H24 N24 -","4","1","","Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin","Solvent Dependent Structures of Melamine: Porous or Nonporous?","Crystal Growth & Design","2015","15","4","1871","","10.1021/acs.cgd.5b00039","","","0.71073","MoKα","","0.0869","0.0856","","","0.1802","0.1818","","","","","","1.769","","","","has coordinates","231215","2020-10-21","18:00:00",""
"4516262","9.709","0.016","18.44","0.03","16.53","0.03","90","","99.02","0.02","90","","2923","9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Cl8 P2 Ru2 -","- C58 H60 Cl8 P2 Ru2 -","- C116 H120 Cl16 P4 Ru4 -","2","0.5","","Bacchi, Alessia; Bourne, Susan; Cantoni, Giulia; Cavallone, Silvia A. M.; Mazza, Simona; Mehlana, Gift; Pelagatti, Paolo; Righi, Lara","Reversible Guest Removal and Selective Guest Exchange with a Covalent Dinuclear Wheel-and-Axle Metallorganic Host Constituted by Half-Sandwich Ru(II) Wheels Connected by a Linear Diphosphine Axle","Crystal Growth & Design","2015","15","4","1876","","10.1021/acs.cgd.5b00059","","","0.71073","MoKα","","0.1838","0.0827","","","0.1879","0.2478","","","","","","1.016","","","","has coordinates","231216","2020-10-21","18:00:00",""
"4516263","13.443","0.002","19.383","0.003","13.671","0.002","90","","105.615","0.003","90","","3430.7","0.9","90","","90","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C35.5 H53 Cl N O6.5 -","- C35.5 H53 Cl N O6.5 -","- C142 H212 Cl4 N4 O26 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0342","0.0327","","0.0794","0.0787","0.0794","","","","","","0.9377","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4516264","13.668","0.003","19.384","0.004","13.748","0.003","90","","106.219","0.003","90","","3497.4","1.3","90","","90","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C35.5 H53 Br N O6.5 -","- C35.5 H53 Br N O6.5 -","- C142 H212 Br4 N4 O26 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0369","0.03","","0.0754","0.0679","0.0754","","","","","","0.9225","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4516265","14.028","0.005","19.233","0.006","14.064","0.005","90","","107.618","0.006","90","","3616","2","90","","90","","","","","","","","Synthesized","5","P 1 21 1","P 2yb","4","","","","- C35.5 H53 I N O6.5 -","- C35.5 H53 I N O6.5 -","- C142 H212 I4 N4 O26 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.028","0.0266","","0.0682","0.0664","0.0682","","","","","","0.8954","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4516266","13.963","0.004","18.833","0.005","14.46","0.004","90","","108.723","0.006","90","","3601.3","1.7","90","","90","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C35.5 H53 N2 O9.5 -","- C35.5 H53 N2 O9.5 -","- C142 H212 N8 O38 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0318","0.031","","0.0792","0.0789","0.0791","","","","","","0.9449","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516267","19.796","0.004","17.583","0.004","23.652","0.005","90","","90","","90","","8233","3","90","","90","","","","","","","","Synthesized","5","P n a 21","P 2c -2n","33","","","","- C34 H51 N O10 S -","- C34 H51 N O10 S -","- C272 H408 N8 O80 S8 -","8","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0605","0.0588","","0.1297","0.1293","0.1296","","","","","","0.9767","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516268","19.048","0.009","7.493","0.004","6.555","0.003","90","","99.826","0.008","90","","921.8","0.8","90","","90","","","","","","","","synthesized","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O10 -","- C18 H22 O10 -","- C36 H44 O20 -","2","0.5","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0533","0.0469","","0.1178","0.1165","0.1172","","","","","","1.0329","","","","has coordinates,has disorder","231217","2020-10-21","18:00:00",""
"4516269","20.173","0.006","17.078","0.005","15.567","0.004","90","","107.768","0.006","90","","5107","3","90","","90","","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H86 Br2 N2 O6 -","- C50 H86 Br2 N2 O6 -","- C200 H344 Br8 N8 O24 -","4","0.5","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0741","0.0523","","0.1417","0.1215","0.1417","","","","","","0.9675","","","","has coordinates","231217","2020-10-21","18:00:00",""
"4516270","7.283","0.004","9.504","0.004","10.849","0.005","73.032","0.01","83.365","0.011","86.632","0.01","713.2","0.6","90","","90","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C15 H19 N4 O3 -","- C15 H19 N4 O3 -","- C30 H38 N8 O6 -","2","1","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0462","0.0365","","0.1022","0.0912","0.1022","","","","","","0.9534","","","","has coordinates","231217","2020-10-21","18:00:00",""
"4516271","13.7171","0.0005","18.5012","0.0007","23.9413","0.0008","90","","90","","90","","6075.9","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Br4 O4 S4 -","- C28 H20 Br4 O4 S4 -","- C224 H160 Br32 O32 S32 -","8","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0366","","","","0.1047","","","","","","0.885","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516272","14.0426","0.0007","15.5862","0.0008","16.1438","0.0007","90","","92.0962","0.0015","90","","3531","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br4 O4 S4 -","- C32 H28 Br4 O4 S4 -","- C128 H112 Br16 O16 S16 -","4","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0437","","","","0.1376","","","","","","1.11","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516273","19.9445","0.0014","15.5065","0.001","17.0986","0.0011","90","","117.056","0.002","90","","4709.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Br4 O4 S4 -","- C44 H52 Br4 O4 S4 -","- C176 H208 Br16 O16 S16 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0317","","","","0.0763","","","","","","1.092","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516274","11.4552","0.0004","13.7098","0.0006","32.1984","0.001","90","","95.2444","0.0012","90","","5035.5","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Br4 O4 S4 -","- C48 H60 Br4 O4 S4 -","- C192 H240 Br16 O16 S16 -","4","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0389","","","","0.0827","","","","","","1.081","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516275","9.8299","0.0015","17.253","0.003","18.068","0.003","102.319","0.004","104.777","0.004","101.482","0.005","2788.5","0.8","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 Br4 O4 S4 -","- C52 H68 Br4 O4 S4 -","- C104 H136 Br8 O8 S8 -","2","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0858","","","","0.2837","","","","","","1.144","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516276","9.9105","0.0005","18.2692","0.001","18.3716","0.0014","68.024","0.001","79.287","0.002","74.945","0.002","2964.1","0.3","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 Br4 O4 S4 -","- C56 H76 Br4 O4 S4 -","- C112 H152 Br8 O8 S8 -","2","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","0.1219","0.0608","","","0.1424","0.2081","","","","","","1.141","","","","has coordinates,has disorder","231218","2020-10-21","18:00:00",""
"4516277","9.9154","0.0004","15.7592","0.0006","20.6523","0.0008","85.7936","0.0011","83.0114","0.0011","76.4902","0.0011","3111.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 Br4 O4 S4 -","- C60 H84 Br4 O4 S4 -","- C120 H168 Br8 O8 S8 -","2","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0382","","","","0.0946","","","","","","1.048","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516278","9.846","0.0005","16.6008","0.0007","21.028","0.0008","91.888","0.001","96.1206","0.0014","105.843","0.0012","3280.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Br4 O4 S4 -","- C64 H92 Br4 O4 S4 -","- C128 H184 Br8 O8 S8 -","2","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0391","","","","0.0908","","","","","","1.083","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516279","7.7433","0.0013","5.3882","0.0009","17.039","0.003","90","","102.523","0.002","90","","694","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N4 O6 V2 -","- C8 H12 Cu N4 O6 V2 -","- C16 H24 Cu2 N8 O12 V4 -","2","0.5","","Li, Jikun; Huang, Xianqiang; Yang, Song; Xu, Yanqing; Hu, Changwen","Controllable Synthesis, Characterization, and Catalytic Properties of Three Inorganic‒Organic Hybrid Copper Vanadates in the Highly Selective Oxidation of Sulfides and Alcohols","Crystal Growth & Design","2015","15","4","1907","","10.1021/acs.cgd.5b00086","","","0.71073","MoKα","","0.033","0.0273","","","0.1322","0.1587","","","","","","1.034","","","","has coordinates","231219","2020-10-21","18:00:00",""
"4516280","13.106","0.003","13.106","0.003","13.634","0.006","90","","90","","90","","2341.9","1.3","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C16 H24 Cu N8 O6 V2 -","- C16 H24 Cu N8 O6 V2 -","- C64 H96 Cu4 N32 O24 V8 -","4","0.5","","Li, Jikun; Huang, Xianqiang; Yang, Song; Xu, Yanqing; Hu, Changwen","Controllable Synthesis, Characterization, and Catalytic Properties of Three Inorganic‒Organic Hybrid Copper Vanadates in the Highly Selective Oxidation of Sulfides and Alcohols","Crystal Growth & Design","2015","15","4","1907","","10.1021/acs.cgd.5b00086","","","0.71073","MoKα","","0.0596","0.0421","","","0.1193","0.1278","","","","","","1.055","","","","has coordinates","231220","2020-10-21","18:00:00",""
"4516281","10.8254","0.0003","16.3599","0.0004","12.9484","0.0003","90","","95.073","0.001","90","","2284.21","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu N8 O6 V2 -","- C16 H24 Cu N8 O6 V2 -","- C64 H96 Cu4 N32 O24 V8 -","4","1","","Li, Jikun; Huang, Xianqiang; Yang, Song; Xu, Yanqing; Hu, Changwen","Controllable Synthesis, Characterization, and Catalytic Properties of Three Inorganic‒Organic Hybrid Copper Vanadates in the Highly Selective Oxidation of Sulfides and Alcohols","Crystal Growth & Design","2015","15","4","1907","","10.1021/acs.cgd.5b00086","","","0.71073","MoKα","","0.0331","0.0266","","","0.067","0.0703","","","","","","1.019","","","","has coordinates","231221","2020-10-21","18:00:00",""
"4516282","11.8","0.0007","15.889","0.0008","19.904","0.0011","76.442","0.005","73.057","0.005","76.388","0.005","3413.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C122 H172 O26 Sn4 -","- C122 H142 O26 Sn4 -","- C122 H142 O26 Sn4 -","1","0.5","","Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters","Crystal Growth & Design","2015","15","3","1546","","10.1021/acs.cgd.5b00099","","","0.71069","MoKα","","0.1983","0.0987","","","0.2532","0.3223","","","","","","1.166","","","","has coordinates","231222","2020-10-21","18:00:00",""
"4516283","12.041","0.0005","17.927","0.0008","18.197","0.0008","106.174","0.004","92.003","0.004","93.137","0.004","3761.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C122 H172 O26 Sn4 -","- C122 H172 O26 Sn4 -","- C122 H172 O26 Sn4 -","1","0.5","","Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters","Crystal Growth & Design","2015","15","3","1546","","10.1021/acs.cgd.5b00099","","","0.71069","MoKα","","0.1935","0.0963","","","0.244","0.3069","","","","","","1.149","","","","has coordinates","231222","2020-10-21","18:00:00",""
"4516284","20.9661","0.0012","15.8372","0.0009","23.0081","0.0015","90","","98.435","0.006","90","","7557.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C134 H204 O42 Sn12 -","- C134 H204 O42 Sn12 -","- C268 H408 O84 Sn24 -","2","0.5","","Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters","Crystal Growth & Design","2015","15","3","1546","","10.1021/acs.cgd.5b00099","","","0.71073","MoKα","","0.157","0.067","","","0.1341","0.1729","","","","","","1.026","","","","has coordinates","231222","2020-10-21","18:00:00",""
"4516285","21.6371","0.001","26.1838","0.0014","26.204","0.002","112.705","0.007","106.067","0.007","105.892","0.005","11885.2","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C312 H306 O66 Sn6 -","- C312 H306 O66 Sn6 -","- C312 H306 O66 Sn6 -","1","0.5","","Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters","Crystal Growth & Design","2015","15","3","1546","","10.1021/acs.cgd.5b00099","","","0.71073","MoKα","","0.3519","0.1147","","","0.2104","0.3058","","","","","","0.971","","","","has coordinates","231222","2020-10-21","18:00:00",""
"4516286","13.557","0.001","17.2802","0.0015","19.7405","0.0016","89.109","0.006","83.989","0.006","73.423","0.005","4407.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 N24 O Zn -","- C56 H42 N24 O Zn -","- C112 H84 N48 O2 Zn2 -","2","1","","Yang, Wei; Li, Bin; Wang, Hailong; Alduhaish, Osamah; Alfooty, Khalid; Zayed, Mohie Aldin; Li, Peng; Arman, Hadi D.; Chen, Banglin","A Microporous Porphyrin-Based Hydrogen-Bonded Organic Framework for Gas Separation","Crystal Growth & Design","2015","15","4","2000","","10.1021/acs.cgd.5b00147","","","0.71073","MoKα","","0.1418","0.1056","","","0.2471","0.2647","","","","","","1.157","","","","has coordinates","231223","2020-10-21","18:00:00",""
"4516287","15.5906","0.0005","10.2509","0.0003","16.2604","0.0006","90","","102.576","0.003","90","","2536.35","0.15","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Co N8 S2 -","- C26 H16 Co N8 S2 -","- C104 H64 Co4 N32 S8 -","4","1","","Palion-Gazda, Joanna; Machura, Barbara; Lloret, Francesc; Julve, Miguel","Ferromagnetic Coupling Through the End-to-End Thiocyanate Bridge in Cobalt(II) and Nickel(II) Chains","Crystal Growth & Design","2015","15","5","2380","","10.1021/acs.cgd.5b00176","","","0.71073","MoKα","","0.0627","0.044","","","0.1063","0.1149","","","","","","1.05","","","","has coordinates","231224","2020-10-21","18:00:00",""
"4516288","15.6066","0.001","10.2064","0.0005","16.1781","0.0012","90","","102.902","0.007","90","","2511.9","0.3","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N8 Ni S2 -","- C26 H16 N8 Ni S2 -","- C104 H64 N32 Ni4 S8 -","4","1","","Palion-Gazda, Joanna; Machura, Barbara; Lloret, Francesc; Julve, Miguel","Ferromagnetic Coupling Through the End-to-End Thiocyanate Bridge in Cobalt(II) and Nickel(II) Chains","Crystal Growth & Design","2015","15","5","2380","","10.1021/acs.cgd.5b00176","","","0.71073","MoKα","","0.067","0.0416","","","0.0897","0.0974","","","","","","1.026","","","","has coordinates","231225","2020-10-21","18:00:00",""
"4516289","5.153","0.001","8.542","0.0017","24.237","0.005","91.77","0.03","95.21","0.03","103.89","0.03","1029.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","copper(II) nonanoate","'catena((m3-nonanoato-O,O,O')-(m2-nonanoato-O,O')-copper(ii))'","","- C18 H34 Cu O4 -","- C18 H34 Cu O4 -","- C36 H68 Cu2 O8 -","2","1","","Ramos Riesco, Miguel; Martínez-Casado, Francisco J.; Cheda, José A. Rodríguez; Redondo Yélamos, M. Isabel; da Silva, Iván; Plivelic, Tomás S.; López-Andrés, Sol; Ferloni, Paolo","New Advances in the One-Dimensional Coordination Polymer Copper(II) Alkanoates Series: Monotropic Polymorphism and Mesomorphism","Crystal Growth & Design","2015","15","4","2005","","10.1021/acs.cgd.5b00182","","","0.978","Synchrotron","","0.0441","0.0411","","","0.1135","0.1162","","","","","","1.063","","","","has coordinates","231226","2020-10-21","18:00:00",""
"4516290","41.5408","0.0009","41.5408","0.0009","41.5408","0.0009","90","","90","","90","","71684","3","293","2","293","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C135 H0 N54 O6 Zn15 -","- C135 N54 O6 Zn15 -","- C1080 N432 O48 Zn120 -","8","0.166667","","Wang, Fei; Fu, Hong-Ru; Zhang, Jian","Homochiral Metal‒Organic Framework with Intrinsic Chiral Topology and Helical Channels","Crystal Growth & Design","2015","15","4","1568","","10.1021/acs.cgd.5b00209","","","0.71073","MoKα","","0.0855","0.0669","","","0.1808","0.1931","","","","","","0.981","","","","has coordinates","231227","2020-10-21","18:00:00",""
"4516291","7.3455","0.0003","20.4878","0.0009","14.8292","0.0007","90","","103.606","0.001","90","","2169.06","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 B2 N2 O4 -","- C58 H42 B2 N2 O4 -","- C116 H84 B4 N4 O8 -","2","0.5","","Herrera-España, Angel D.; Campillo-Alvarado, Gonzalo; Román-Bravo, Perla; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo","Selective Isolation of Polycyclic Aromatic Hydrocarbons by Self-Assembly of a Tunable N→B Clathrate","Crystal Growth & Design","2015","15","4","1572","","10.1021/acs.cgd.5b00219","","","0.71073","MoKα","","0.0769","0.0458","","","0.0954","0.1252","","","","","","1.17","","","","has coordinates","231228","2020-10-21","18:00:00",""
"4516292","9.0771","0.0003","10.8773","0.0003","11.3414","0.0004","77.924","0.001","81.078","0.001","76.833","0.001","1059.41","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 B2 N2 O6 -","- C50 H44 B2 N2 O6 -","- C50 H44 B2 N2 O6 -","1","0.5","","Herrera-España, Angel D.; Campillo-Alvarado, Gonzalo; Román-Bravo, Perla; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo","Selective Isolation of Polycyclic Aromatic Hydrocarbons by Self-Assembly of a Tunable N→B Clathrate","Crystal Growth & Design","2015","15","4","1572","","10.1021/acs.cgd.5b00219","","","0.71073","MoKα","","0.0541","0.0446","","","0.1158","0.1231","","","","","","1.036","","","","has coordinates,has disorder","231229","2020-10-21","18:00:00",""
"4516293","13.1337","0.0012","5.7484","0.0005","12.8992","0.0011","90","","101.08","0.008","90","","955.71","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 F4 I2 -","- C20 H10 F4 I2 -","- C40 H20 F8 I4 -","2","0.5","","d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara","Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals","Crystal Growth & Design","2015","15","4","2039","","10.1021/acs.cgd.5b00226","","","0.71073","MoKα","","0.0512","0.0354","","","0.0606","0.068","","","","","","1.102","","","","has coordinates","231230","2020-10-21","18:00:00",""
"4516294","22.1118","0.0006","14.3288","0.0004","8.6508","0.0002","90","","90.657","0.002","90","","2740.7","0.12","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C104 H40 F32 I16 -","4","0.5","","d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara","Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals","Crystal Growth & Design","2015","15","4","2039","","10.1021/acs.cgd.5b00226","","","0.71073","MoKα","","0.0792","0.0483","","","0.0793","0.0888","","","","","","1.144","","","","has coordinates","231230","2020-10-21","18:00:00",""
"4516295","13.25","0.0017","5.759","0.0007","12.6914","0.0019","90","","101.298","0.014","90","","949.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 F2 I -","- C10 H6 F2 I -","- C40 H24 F8 I4 -","4","1","","d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara","Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals","Crystal Growth & Design","2015","15","4","2039","","10.1021/acs.cgd.5b00226","","","0.71073","MoKα","","0.1961","0.0733","","","0.0964","0.1486","","","","","","1.019","","","","has coordinates","231230","2020-10-21","18:00:00",""
"4516296","22.549","0.005","14.166","0.005","8.65","0.005","90","0.005","91.442","0.005","90","0.005","2762","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H12 F8 I4 -","- C26 H12 F8 I4 -","- C104 H48 F32 I16 -","4","0.5","","d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara","Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals","Crystal Growth & Design","2015","15","4","2039","","10.1021/acs.cgd.5b00226","","","0.71073","MoKα","","0.1517","0.0622","","","0.0993","0.1381","","","","","","1.005","","","","has coordinates","231230","2020-10-21","18:00:00",""
"4516297","25.8071","0.0006","6.924","0.0002","12.2426","0.0003","90","","103.501","0.001","90","","2127.16","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(diphenylmethylene)isonicotinohydrazide)_(salicylic acid)","","- C26 H21 N3 O4 -","- C26 H21 N3 O4 -","- C104 H84 N12 O16 -","4","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0554","0.0417","","","0.1086","0.1178","","","","","","1.04","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516298","25.01","0.002","6.9708","0.0007","12.4779","0.0011","90","","90.949","0.006","90","","2175.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(bis(2-hydroxyphenyl)methylene)isonicotinohydrazide)_(salicyclic acid)","","- C26 H21 N3 O6 -","- C26 H21 N3 O6 -","- C104 H84 N12 O24 -","4","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.1532","0.1378","","","0.3928","0.4083","","","","","","1.767","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516299","9.9062","0.0002","12.0906","0.0003","12.4633","0.0003","113.536","0.001","113.077","0.001","96.297","0.001","1194.7","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(di-p-tolylmethylene)isonicotinohydrazide)_(salicyclic acid) Form I","","- C28 H25 N3 O4 -","- C28 H25 N3 O4 -","- C56 H50 N6 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0587","0.046","","","0.1253","0.1373","","","","","","1.033","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516300","8.252","0.0003","11.2852","0.0004","12.9411","0.0005","77.516","0.002","85.88","0.002","82.91","0.002","1166.39","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(di-p-tolylmethylene)isonicotinohydrazide)_(salicylic acid) Form II","","- C28 H25 N3 O4 -","- C28 H25 N3 O4 -","- C56 H50 N6 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0578","0.0428","","","0.1115","0.1219","","","","","","1.023","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516301","6.6193","0.0002","12.3234","0.0003","14.418","0.0003","98.727","0.002","98.596","0.002","100.665","0.002","1123.17","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","((E)-N'-(phenyl(p-tolyl)methylene)isonicotinohydrazide)_(salicyclic acid),","","- C27 H23 N3 O4 -","- C27 H23 N3 O4 -","- C54 H46 N6 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0735","0.0469","","","0.1187","0.1338","","","","","","1.028","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516302","7.0057","0.0004","11.5495","0.0007","15.6046","0.0009","87.598","0.004","82.792","0.004","72.85","0.003","1196.91","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","((E)-N'-((4-(dimethylamino)phenyl)(phenyl)methylene)isonicotinohydrazide)_ (salicylic acid)","","- C28 H26 N4 O4 -","- C28 H26 N4 O4 -","- C56 H52 N8 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.1158","0.0572","","","0.1289","0.1511","","","","","","0.878","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516303","9.2815","0.0003","11.7198","0.0003","12.2187","0.0003","94.405","0.001","110.971","0.002","113.076","0.002","1104.72","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E)-N'-((4-aminophenyl)(phenyl)methylene)isonicotinohydrazide)_(salicylic acid)","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C52 H44 N8 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0719","0.0483","","","0.1252","0.1403","","","","","","1.009","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516304","7.8452","0.0003","10.7034","0.0004","13.1775","0.0005","90","","93.234","0.003","90","","1104.76","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N'-((4-aminophenyl)(phenyl)methylene)isonicotinohydrazide)_(salicylic acid)","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C52 H44 N8 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0998","0.0713","","","0.2024","0.228","","","","","","1.039","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516305","9.174","0.002","12.815","0.003","14.399","0.003","86.24","0.02","86.33","0.01","77.38","0.02","1646.2","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(4-pyridyl)ethane-3,4-dihydroxybenzoic acid complex","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","2","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0613","0.0515","","","0.1506","0.1596","","","","","","1.096","","","","has coordinates","231233","2020-10-21","18:00:00",""
"4516306","9.552","0.002","10.806","0.002","16.346","0.003","90","","102.34","0.02","90","","1648.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-pyridyl)ethane-2,4-dihydroxybenzoic acid complex","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0605","0.0399","","","0.1051","0.1132","","","","","","1.078","","","","has coordinates","231234","2020-10-21","18:00:00",""
"4516307","7.7094","0.0007","10.51","0.001","11.0988","0.0012","113.937","0.01","105.773","0.009","92.455","0.007","778.92","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","sv151","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C38 H32 N4 O8 -","2","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0779","0.0562","","","0.1721","0.187","","","","","","1.17","","","","has coordinates","231235","2020-10-21","18:00:00",""
"4516308","9.588","0.001","10.431","0.001","13.187","0.001","90","","123.94","0.05","90","","1094.2","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-pyridyl)ethene - 2,3-dihydroxybenzoic acid complex","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","0.5","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0631","0.0475","","","0.1264","0.1319","","","","","","1.05","","","","has coordinates","231236","2020-10-21","18:00:00",""
"4516309","3.811","0.001","10.342","0.003","10.844","0.003","65.84","0.03","85.83","0.03","89.45","0.03","388.8","0.2","298","2","298","2","","","","","","","","4","P 1","P 1","1","","1,2-bis(4-pyridyl)ethene-2,4-dihydroxybenzoic acid complex","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","1","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0531","0.0451","","","0.104","0.1088","","","","","","1.178","","","","has coordinates","231237","2020-10-21","18:00:00",""
"4516310","17.082","0.003","10.786","0.002","24.632","0.003","90","","133.72","0.07","90","","3280","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-pyridyl)ethene-3,4-dihydroxybenzoic acid complex","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C152 H128 N16 O32 -","8","2","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.1512","0.0533","","","0.0939","0.119","","","","","","0.838","","","","has coordinates","231238","2020-10-21","18:00:00",""
"4516311","8.298","0.001","6.879","0.001","20.191","0.002","90","","98.3","0.08","90","","1140.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-pyridyl)ethene-2,6-dihydroxybenzoic acid complex","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","0.5","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0778","0.0431","","","0.0955","0.1265","","","","","","1.048","","","","has coordinates","231239","2020-10-21","18:00:00",""
"4516312","8.265","0.002","9.398","0.002","10.574","0.003","91.08","0.02","91.07","0.02","98.67","0.02","811.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(4-pyridyl)ethane-2,3-dihydroxybenzoic acid complex","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0486","0.0382","","","0.1087","0.128","","","","","","1.13","","","","has coordinates","231240","2020-10-21","18:00:00",""
"4516313","8.015","0.01","18.131","0.002","11.088","0.01","90","","90.5","0.1","90","","1611","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis(4-pyridyl)ethane-2,5-dihydroxybenzoic acid complex","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.1256","0.041","","","0.0904","0.1436","","","","","","0.825","","","","has coordinates","231241","2020-10-21","18:00:00",""
"4516314","6.827","0.001","8.734","0.002","9.852","0.002","77.06","0.03","72.84","0.03","87.22","0.03","546.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(4-pyridyl)ethene-2,5-dihydroxybenzoic acid complex","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","1","0.5","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.1199","0.0789","","","0.1962","0.2247","","","","","","1.059","","","","has coordinates","231242","2020-10-21","18:00:00",""
"4516315","8.325","0.001","6.947","0.001","19.916","0.002","90","","97.84","0.08","90","","1141.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-pyridyl)ethane-2,6-dihydroxybenzoic acid","","- C26 H24 N2 O8 -","- C26 H24 N2 O8 -","- C52 H48 N4 O16 -","2","0.5","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0817","0.0444","","","0.0998","0.1328","","","","","","1.039","","","","has coordinates","231243","2020-10-21","18:00:00",""
"4516316","13.004","0.003","14.526","0.003","15.719","0.003","96.334","0.011","111.829","0.01","112.19","0.01","2441.2","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl2 N12 Ni2 O16 -","- C40 H42 Cl2 N12 Ni2 O16 -","- C80 H84 Cl4 N24 Ni4 O32 -","2","1","","Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Fondo, Matilde; García-Deibe, Ana M.","Chiral Recognition between Metallohelicates via Strong H Bonds: Homochiral Bishelical Coupling and Mesohelical Polymerization","Crystal Growth & Design","2015","15","9","4318","","10.1021/acs.cgd.5b00616","","","0.71073","MoKα","","0.123","0.0685","","","0.1617","0.193","","","","","","1.019","","","","has coordinates,has disorder","231244","2020-10-21","18:00:00",""
"4516317","13.2562","0.0006","14.6172","0.0006","15.7489","0.0006","95.369","0.002","111.117","0.002","114.983","0.002","2468.99","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl2 Cu2 N12 O15 -","- C44 H42 Cl2 Cu2 N12 O15 -","- C88 H84 Cl4 Cu4 N24 O30 -","2","1","","Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Fondo, Matilde; García-Deibe, Ana M.","Chiral Recognition between Metallohelicates via Strong H Bonds: Homochiral Bishelical Coupling and Mesohelical Polymerization","Crystal Growth & Design","2015","15","9","4318","","10.1021/acs.cgd.5b00616","","","0.71073","MoKα","","0.1667","0.0715","","","0.1342","0.1669","","","","","","1.021","","","","has coordinates,has disorder","231245","2020-10-21","18:00:00",""
"4516318","9.63","0.0004","10.0916","0.0004","11.7335","0.0006","87.958","0.004","67.638","0.004","68.181","0.004","971.53","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 N2 O13 Pr -","- C15 H8 N2 O13 Pr -","- C30 H16 N4 O26 Pr2 -","2","1","","Li, Han-Ning; Li, Hai-Yang; Li, Lin-Ke; Xu, Li; Hou, Kai; Zang, Shuang-Quan; Mak, Thomas C. W.","Syntheses, Structures, and Photoluminescent Properties of Lanthanide Coordination Polymers Based on a Zwitterionic Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2015","15","9","4331","","10.1021/acs.cgd.5b00625","","","0.71073","MoKα","","0.0436","0.0409","","","0.1292","0.1355","","","","","","0.944","","","","has coordinates","231246","2020-10-21","18:00:00",""
"4516319","9.4381","0.0003","12.2437","0.0005","18.6387","0.0008","86.308","0.004","81.316","0.003","68.892","0.004","1986.17","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl N3 Nd2 O23 -","- C30 H34 Cl N3 Nd2 O23 -","- C60 H68 Cl2 N6 Nd4 O46 -","2","1","","Li, Han-Ning; Li, Hai-Yang; Li, Lin-Ke; Xu, Li; Hou, Kai; Zang, Shuang-Quan; Mak, Thomas C. W.","Syntheses, Structures, and Photoluminescent Properties of Lanthanide Coordination Polymers Based on a Zwitterionic Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2015","15","9","4331","","10.1021/acs.cgd.5b00625","","","0.71073","MoKα","","0.0535","0.0419","","","0.0896","0.0946","","","","","","0.974","","","","has coordinates","231246","2020-10-21","18:00:00",""
"4516320","9.8876","0.0007","10.2189","0.0004","12.3454","0.0006","95.853","0.004","112.751","0.006","110.95","0.005","1031.64","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Cl Eu N O11 -","- C15 H19 Cl Eu N O11 -","- C30 H38 Cl2 Eu2 N2 O22 -","2","1","","Li, Han-Ning; Li, Hai-Yang; Li, Lin-Ke; Xu, Li; Hou, Kai; Zang, Shuang-Quan; Mak, Thomas C. W.","Syntheses, Structures, and Photoluminescent Properties of Lanthanide Coordination Polymers Based on a Zwitterionic Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2015","15","9","4331","","10.1021/acs.cgd.5b00625","","","0.71073","MoKα","","0.0628","0.0552","","","0.155","0.1622","","","","","","1.083","","","","has coordinates","231246","2020-10-21","18:00:00",""
"4516321","6.1688","0.0005","9.4614","0.0008","13.2542","0.001","71.37","0.004","77.094","0.003","76.917","0.004","704.4","0.1","268","2","268","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 Cl N O4 -","- C11 H18 Cl N O4 -","- C22 H36 Cl2 N2 O8 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0609","0.0497","","","0.138","0.148","","","","","","1.061","","","","has coordinates,has disorder","231247","2020-10-21","18:00:00",""
"4516322","24.8495","0.0009","11.3672","0.0004","8.546","0.0003","90","","106.166","0.002","90","","2318.53","0.14","228","2","228","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl N O6 -","- C27 H22 Cl N O6 -","- C108 H88 Cl4 N4 O24 -","4","0.5","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0445","0.0371","","","0.0975","0.1029","","","","","","1.04","","","","has coordinates,has disorder","231248","2020-10-21","18:00:00",""
"4516323","11.2329","0.0002","11.9856","0.0002","12.5798","0.0003","90","","90","","90","","1693.66","0.06","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl N O3 -","- C15 H26 Cl N O3 -","- C60 H104 Cl4 N4 O12 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.037","0.032","","","0.0835","0.0865","","","","","","1.05","","","","has coordinates","231249","2020-10-21","18:00:00",""
"4516324","8.4357","0.0001","10.9612","0.0002","18.4019","0.0003","90","","90","","90","","1701.54","0.05","228","2","228","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl N O4 -","- C15 H26 Cl N O4 -","- C60 H104 Cl4 N4 O16 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0296","0.028","","","0.0739","0.0751","","","","","","1.039","","","","has coordinates","231250","2020-10-21","18:00:00",""
"4516325","10.0685","0.0002","13.5954","0.0002","16.5004","0.0002","113.934","0.001","105.063","0.001","91.573","0.001","1970.79","0.06","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Cl3 N3 O16 -","- C36 H38 Cl3 N3 O16 -","- C72 H76 Cl6 N6 O32 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0461","0.0356","","","0.09","0.096","","","","","","1.043","","","","has coordinates,has disorder","231251","2020-10-21","18:00:00",""
"4516326","9.2424","0.0003","10.1573","0.0003","14.5934","0.0004","108.077","0.001","101.343","0.001","95.392","0.001","1259.16","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O9 -","- C24 H26 Cl2 N2 O9 -","- C48 H52 Cl4 N4 O18 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0419","0.0345","","","0.0903","0.1029","","","","","","1.103","","","","has coordinates,has disorder","231252","2020-10-21","18:00:00",""
"4516327","9.9534","0.001","10.7034","0.0011","12.9836","0.0013","81.478","0.004","74.616","0.003","74.498","0.003","1280.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Cl N O10 -","- C24 H32 Cl N O10 -","- C48 H64 Cl2 N2 O20 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.048","0.0433","","","0.1125","0.1207","","","","","","1.069","","","","has coordinates","231253","2020-10-21","18:00:00",""
"4516328","26.2279","0.0006","13.688","0.0004","11.4604","0.0003","90","","101.941","0.001","90","","4025.34","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cl N O8 -","- C18 H24 Cl N O8 -","- C144 H192 Cl8 N8 O64 -","8","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0457","0.0391","","","0.1122","0.1194","","","","","","1.023","","","","has coordinates","231254","2020-10-21","18:00:00",""
"4516329","8.5052","0.0012","10.144","0.0014","15.638","0.002","83.028","0.004","74.421","0.005","86.909","0.005","1289.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cl N O6 -","- C26 H36 Cl N O6 -","- C52 H72 Cl2 N2 O12 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0432","0.0406","","","0.1031","0.1056","","","","","","1.063","","","","has coordinates","231255","2020-10-21","18:00:00",""
"4516330","12.4053","0.0003","6.7701","0.0002","14.9514","0.0003","90","","106.374","0.001","90","","1204.77","0.05","228","2","228","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C48 H48 Cl4 N4 O12 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0343","0.0297","","","0.0792","0.0823","","","","","","1.047","","","","has coordinates","231256","2020-10-21","18:00:00",""
"4516331","9.3111","0.0005","7.9191","0.0004","28.5924","0.0014","90","","99.185","0.002","90","","2081.24","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl N O7 -","- C18 H26 Cl N O7 -","- C72 H104 Cl4 N4 O28 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0399","0.035","","","0.0968","0.101","","","","","","1.037","","","","has coordinates,has disorder","231257","2020-10-21","18:00:00",""
"4516332","7.1511","0.0002","12.2664","0.0002","12.8326","0.0002","77.93","0.001","75.339","0.001","87.319","0.001","1064.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Cl N O11 -","- C18 H26 Cl N O11 -","- C36 H52 Cl2 N2 O22 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0408","0.0361","","","0.0991","0.1032","","","","","","1.025","","","","has coordinates,has disorder","231258","2020-10-21","18:00:00",""
"4516333","8.36352","0.00005","16.48723","0.00011","6.71641","0.00005","90","","105.536","0.0004","90","","892.295","0.011","350","","350","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium chloride","","","- C7 H13 Cl N2 -","- C7 H13 Cl N2 -","- C28 H52 Cl4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.95336","Synchrotron","","","","","","","","","0.048","5.581","","","","","","","has coordinates","231259","2020-10-21","18:00:00",""
"4516334","7.84646","0.00008","17.33453","0.00017","6.75078","0.00007","90","","100.287","0.0006","90","","903.446","0.016","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium bromide","","","- C7 H13 Br N2 -","- C7 H13 Br N2 -","- C28 H52 Br4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.95336","Synchrotron","","","","","","","","","0.091","10.663","","","","","","","has coordinates","231260","2020-10-21","18:00:00",""
"4516335","8.35615","0.00005","17.03644","0.00011","6.87656","0.00005","90","","104.287","0.0004","90","","948.664","0.011","350","","350","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium bromide","","","- C7 H13 Br N2 -","- C7 H13 Br N2 -","- C28 H52 Br4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.95336","Synchrotron","","","","","","","","","0.055","5.347","","","","","","","has coordinates","231261","2020-10-21","18:00:00",""
"4516336","7.99132","0.00006","16.45676","0.00013","6.68451","0.00006","90","","104.042","0.0005","90","","852.821","0.012","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium chloride","","","- C7 H13 Cl N2 -","- C7 H13 Cl N2 -","- C28 H52 Cl4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.82621","Synchrotron","","","","","","","","","0.057","8.499","","","","","","","has coordinates","231262","2020-10-21","18:00:00",""
"4516337","12.335","0.003","10.607","0.002","17.974","0.004","90","","106.33","0.03","90","","2256.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 N2 O -","- C31 H18 N2 O -","- C124 H72 N8 O4 -","4","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.1837","0.0701","","","0.1303","0.1708","","","","","","1.003","","","","has coordinates","231263","2020-10-21","18:00:00",""
"4516338","11.345","0.002","11.415","0.002","13.446","0.003","72.56","0.03","76.89","0.03","70.07","0.03","1546.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H25 N4 O -","- C41 H25 N4 O -","- C82 H50 N8 O2 -","2","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.209","0.0956","","","0.182","0.2252","","","","","","1.042","","","","has coordinates","231264","2020-10-21","18:00:00",""
"4516339","11.176","0.002","11.394","0.002","13.466","0.003","72.83","0.03","78.68","0.03","69.39","0.03","1525.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N4 O2 -","- C38 H24 N4 O2 -","- C76 H48 N8 O4 -","2","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.212","0.0955","","","0.1585","0.1948","","","","","","1.059","","","","has coordinates","231265","2020-10-21","18:00:00",""
"4516340","11.306","0.002","11.395","0.002","13.377","0.003","72.38","0.03","76.89","0.03","69.92","0.03","1528.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Cl N4 O -","- C40 H22 Cl N4 O -","- C80 H44 Cl2 N8 O2 -","2","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.457","0.1619","","","0.223","0.3138","","","","","","1.083","","","","has coordinates","231266","2020-10-21","18:00:00",""
"4516341","9.064","0.0018","11.721","0.002","16.445","0.003","99.43","0.03","105.49","0.03","91.66","0.03","1656","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H22 N6 O -","- C43 H22 N6 O -","- C86 H44 N12 O2 -","2","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.2235","0.1043","","","0.1856","0.2257","","","","","","1.115","","","","has coordinates","231267","2020-10-21","18:00:00",""
"4516342","11.7036","0.0007","9.502","0.0004","3.8171","0.0003","90","","90","","90","","424.49","0.05","280","0.1","280","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0505","0.0408","","","0.0992","0.1036","","","","","","1.097","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516343","11.687","0.004","9.497","0.003","3.7988","0.0013","90","","90","","90","","421.6","0.2","260","0.1","260","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1143","0.0572","","","0.1114","0.1409","","","","","","1.051","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516344","11.682","0.004","9.492","0.003","3.7897","0.0012","90","","90","","90","","420.2","0.2","250","0.1","250","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1053","0.0505","","","0.1007","0.1268","","","","","","1.033","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516345","11.666","0.004","9.487","0.003","3.785","0.0012","90","","90","","90","","418.9","0.2","240","0.1","240","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1072","0.0556","","","0.1181","0.1486","","","","","","1.079","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516346","11.66","0.003","9.479","0.003","3.7837","0.0012","90","","90","","90","","418.2","0.2","235","0.1","235","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1077","0.054","","","0.1032","0.1274","","","","","","1.009","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516347","11.66","0.003","9.48","0.003","3.7771","0.001","90","","90","","90","","417.5","0.2","230","0.1","230","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1001","0.0496","","","0.0877","0.1093","","","","","","1.068","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516348","11.664","0.003","9.479","0.003","3.7749","0.0011","90","","90","","90","","417.4","0.2","225","0.1","225","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0962","0.0495","","","0.0959","0.1199","","","","","","1.023","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516349","11.659","0.003","9.479","0.003","3.7704","0.001","90","","90","","90","","416.7","0.2","220","0.1","220","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0978","0.0558","","","0.1126","0.1334","","","","","","1.006","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516350","11.651","0.003","9.475","0.003","3.7623","0.001","90","","90","","90","","415.3","0.2","210","0.1","210","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.093","0.0484","","","0.0959","0.1165","","","","","","1.022","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516351","11.6379","0.0005","9.4709","0.0003","3.7529","0.00018","90","","90","","90","","413.65","0.03","200","0.1","200","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0329","0.0312","","","0.0872","0.088","","","","","","1.107","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516352","11.665","0.003","9.483","0.003","3.774","0.0012","90","","90","","90","","417.5","0.2","222.5","0.1","222.5","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1095","0.0566","","","0.1153","0.1424","","","","","","1.059","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516353","11.665","0.004","9.484","0.004","3.7782","0.0013","90","","90","","90","","418","0.3","227.5","0.1","227.5","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1161","0.0579","","","0.1077","0.1377","","","","","","1.073","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516354","11.673","0.005","9.484","0.004","3.7782","0.0011","90","","90","","90","","418.3","0.3","232.5","0.1","232.5","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1304","0.0638","","","0.1206","0.1655","","","","","","1.093","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516355","11.667","0.006","9.491","0.005","3.7874","0.0015","90","","90","","90","","419.4","0.4","245","0.1","245","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1697","0.063","","","0.1161","0.1665","","","","","","1.034","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516356","11.699","0.002","9.5","0.0019","3.8295","0.0008","90","","90","","90","","425.61","0.14","295","2","295","2","","","320000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0708","0.0421","","","0.0806","0.0913","","","","","","1.087","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516357","11.574","0.002","9.4736","0.0019","3.7485","0.0007","90","","90","","90","","411.01","0.13","295","2","295","2","","","520000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0338","0.0277","","","0.0726","0.077","","","","","","1.123","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516358","11.463","0.002","9.445","0.0019","3.6821","0.0007","90","","90","","90","","398.65","0.13","295","2","295","2","","","710000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0419","0.0289","","","0.0332","0.0361","","","","","","1.102","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516359","11.443","0.009","9.437","0.007","3.682","0.002","90","","90","","90","","397.6","0.5","295","2","295","2","","","730000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0629","0.0393","","","0.0982","0.1108","","","","","","1.127","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516360","22.096","0.012","9.507","0.005","3.6415","0.0015","90","","90","","95.05","0.06","762","0.7","295","2","295","2","","","1020000","","","","","3","P 1 1 21/a","-P 2ac","14","pyrimidine","pyrimidine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C32 H32 N16 -","8","2","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0517","0.0407","","","0.0649","0.0696","","","","","","1.194","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516361","22.069","0.012","9.51","0.004","3.6252","0.0008","90","","90","","95.13","0.04","757.8","0.5","295","2","295","2","","","1070000","","","","","3","P 1 1 21/a","-P 2ac","14","pyrimidine","pyrimidine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C32 H32 N16 -","8","2","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0852","0.0651","","","0.081","0.0876","","","","","","1.19","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516362","11.171","0.009","9.245","0.004","3.5885","0.0016","90","","90.39","0.08","90","","370.6","0.4","295","2","295","2","","","1260000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrimidine","pyrimidine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0886","0.0649","","","0.1843","0.2122","","","","","","1.162","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516363","11.109","0.007","9.2258","0.0017","3.555","0.0018","90","","90.73","0.08","90","","364.3","0.3","295","2","295","2","","","1390000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrimidine","pyrimidine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.048","0.0392","","","0.0543","0.0574","","","","","","1.322","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516364","9.2605","0.0008","10.5797","0.0012","10.7704","0.0015","60.921","0.01","85.569","0.012","65.892","0.009","832","0.2","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 O S2 -","- C20 H16 N2 O S2 -","- C40 H32 N4 O2 S4 -","2","1","","Pyziak, Mikołaj; Pyziak, Jadwiga; Hoffmann, Marcin; Kubicki, Maciej","Experimental and Theoretical Charge Density Studies of Chalcogen Bonding and Other Intermolecular Contacts in 4-[[4-(Methoxy)-3-quinolinyl]thio]-3-thiomethylquinoline","Crystal Growth & Design","2015","15","11","5223","","10.1021/acs.cgd.5b00676","","","0.71073","MoKα","","0.0668","0.0391","","","0.0269","0.069","","","","","","3.605","","","","has coordinates","231269","2020-10-21","18:00:00",""
"4516369","14.633","0.005","9.37","0.005","15.966","0.005","90","0.005","114.871","0.005","90","0.005","1986.1","1.4","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H54 N6 O8 S -","- C39 H54 N6 O8 S -","- C78 H108 N12 O16 S2 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.1354","0.0674","","","0.0746","0.0896","","","","","","0.989","","","","has coordinates","231271","2020-10-21","18:00:00",""
"4516370","14.275","0.0002","9.6424","0.0005","16.008","0.002","90","","111.617","0.012","90","","2048.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H57 Cl N6 O8 -","- C38 H51 Cl N6 O8 -","- C76 H102 Cl2 N12 O16 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.214","0.0965","","","0.1375","0.1847","","","","","","1.015","","","","has coordinates","231271","2020-10-21","18:00:00",""
"4516371","14.3053","0.0007","9.7478","0.0004","15.847","0.0001","90","","111.404","0.007","90","","2057.38","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H55 Br N6 O7 -","- C38 H51 Br N6 O7 -","- C76 H102 Br2 N12 O14 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.1214","0.0643","","","0.1023","0.1231","","","","","","1.016","","","","has coordinates","231271","2020-10-21","18:00:00",""
"4516372","14.3578","0.0007","9.4796","0.0004","15.9818","0.0013","90","","111.131","0.007","90","","2029","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H53 I N6 O6 -","- C38 H51 I N6 O6 -","- C76 H102 I2 N12 O12 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.1721","0.084","","","0.207","0.2646","","","","","","1.02","","","","has coordinates,has disorder","231271","2020-10-21","18:00:00",""
"4516373","10.2719","0.0009","10.3488","0.0006","10.8229","0.0009","107.583","0.006","100.84","0.007","109.819","0.007","976.16","0.16","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O9 -","- C20 H21 N3 O9 -","- C40 H42 N6 O18 -","2","1","","Song, Jia-Xi; Chen, Jia-Mei; Lu, Tong-Bu","Lenalidomide‒Gallic Acid Cocrystals with Constant High Solubility","Crystal Growth & Design","2015","15","10","4869","","10.1021/acs.cgd.5b00699","","","1.54184","CuKα","","0.0661","0.0496","","","0.1232","0.1365","","","","","","1.034","","","","has coordinates","231272","2020-10-21","18:00:00",""
"4516374","7.4961","0.0007","8.3257","0.0009","16.3618","0.0012","92.217","0.007","90.992","0.007","115.549","0.01","919.95","0.17","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O8 -","- C20 H19 N3 O8 -","- C40 H38 N6 O16 -","2","1","","Song, Jia-Xi; Chen, Jia-Mei; Lu, Tong-Bu","Lenalidomide‒Gallic Acid Cocrystals with Constant High Solubility","Crystal Growth & Design","2015","15","10","4869","","10.1021/acs.cgd.5b00699","","","1.54184","CuKα","","0.0705","0.0438","","","0.0942","0.1093","","","","","","1.015","","","","has coordinates","231273","2020-10-21","18:00:00",""
"4516375","13.3","0.003","13.112","0.007","10.808","0.005","90","","101.28","0.04","90","","1848.4","1.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cu2 N6 O12 -","- C25 H18 Cu2 N6 O12 -","- C50 H36 Cu4 N12 O24 -","2","0.5","","Hernández-Maldonado, Arturo J.; Arrieta-Pérez, Rodinson R.; Primera-Pedrozo, José N.; Exley, Jason","Structure of a Porous Cu2(pzdc)2(bpp) (pzdc: Pyrazine-2,3-dicarboxylate, bpp: 1,3-Bis(4-pyridyl)propane) Coordination Polymer and Flexibility upon Concomitant Hysteretic CO2Adsorption","Crystal Growth & Design","2015","15","8","4123","","10.1021/acs.cgd.5b00728","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.26184","","12.88","","","","","","","has coordinates","231274","2020-10-21","18:00:00",""
"4516376","9.971","0.004","11.704","0.005","12.074","0.005","94.864","0.007","99.788","0.006","113.324","0.006","1256.9","0.9","298","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 N10 Ni O4 S4 -","- C50 H36 N10 Ni O4 S4 -","- C50 H36 N10 Ni O4 S4 -","1","0.5","","Kishore, Ravada; Tripuramallu, Bharat Kumar; Das, Samar K.","Significant Role of Supramolecular Interactions on Conformational Modulation of Flexible Organic Cation Receptors in a Metal-Bis(dithiolate) Coordination Complex Matrix","Crystal Growth & Design","2015","15","9","4459","","10.1021/acs.cgd.5b00750","","","0.71073","MoKα","","0.1054","0.058","","","0.1343","0.1536","","","","","","0.954","","","","has coordinates","231275","2020-10-21","18:00:00",""
"4516377","5.5144","0.0003","9.452","0.0005","13.404","0.0005","74.239","0.004","84.747","0.004","81.205","0.004","663.55","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H21 N O4 -","- C10 H21 N O4 -","- C20 H42 N2 O8 -","2","1","","Khan, Tariq; Tang, Yuanyuan; Sun, Zhihua; Zhang, Shuquan; Asghar, Muhammad Adnan; Chen, Tianliang; Zhao, Sangen; Luo, Junhua","Dibutylammonium Hydrogen Oxalate: An Above-Room-Temperature Order‒Disorder Phase Transition Molecular Material","Crystal Growth & Design","2015","15","11","5263","","10.1021/acs.cgd.5b00758","","","0.71073","MoKα","","0.0563","0.0433","","","0.1055","0.1141","","","","","","1.089","","","","has coordinates","231276","2020-10-21","18:00:00",""
"4516378","17.868","0.002","5.5508","0.0003","14.4018","0.001","90","","112.102","0.011","90","","1323.4","0.2","330","2","330","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 N O4 -","- C10 H21 N O4 -","- C40 H84 N4 O16 -","4","1","","Khan, Tariq; Tang, Yuanyuan; Sun, Zhihua; Zhang, Shuquan; Asghar, Muhammad Adnan; Chen, Tianliang; Zhao, Sangen; Luo, Junhua","Dibutylammonium Hydrogen Oxalate: An Above-Room-Temperature Order‒Disorder Phase Transition Molecular Material","Crystal Growth & Design","2015","15","11","5263","","10.1021/acs.cgd.5b00758","","","0.71073","MoKα","","0.1213","0.0833","","","0.2563","0.3008","","","","","","1.022","","","","has coordinates,has disorder","231277","2020-10-21","18:00:00",""
"4516379","27.538","0.004","27.538","0.004","20.139","0.004","90","","90","","120","","13226","4","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C63 H84 Cu7 I4 N11 O23 -","- C42 H27 Cu7 I4 N4 O15 -","- C168 H108 Cu28 I16 N16 O60 -","4","0.333333","","Luo, Xiaolong; Sun, Libo; Zhao, Jun; Li, Dong-Sheng; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Three Metal‒Organic Frameworks Based on Binodal Inorganic Building Units and Hetero-O, N Donor Ligand: Solvothermal Syntheses, Structures, and Gas Sorption Properties","Crystal Growth & Design","2015","15","10","4901","","10.1021/acs.cgd.5b00791","","","0.71073","MoKα","","0.1389","0.0509","","","0.1276","0.1485","","","","","","0.94","","","","has coordinates","231278","2020-10-21","18:00:00",""
"4516380","19.209","0.003","19.209","0.003","10.991","0.002","90","","90","","90","","4055.5","1.2","293","2","293","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C46 H56 Cu8 I4 N10 O23 -","- C40 H12 Cu8 I4 N8 O20 -","- C80 H24 Cu16 I8 N16 O40 -","2","0.125","","Luo, Xiaolong; Sun, Libo; Zhao, Jun; Li, Dong-Sheng; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Three Metal‒Organic Frameworks Based on Binodal Inorganic Building Units and Hetero-O, N Donor Ligand: Solvothermal Syntheses, Structures, and Gas Sorption Properties","Crystal Growth & Design","2015","15","10","4901","","10.1021/acs.cgd.5b00791","","","0.71073","MoKα","","0.0292","0.0264","","","0.0776","0.079","","","","","","1.036","","","","has coordinates,has disorder","231279","2020-10-21","18:00:00",""
"4516381","28.1563","0.0007","28.1563","0.0007","19.1585","0.0007","90","","90","","120","","13153.6","0.7","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C39 H21 Cu7 I4 N3 O18 -","- C39 H21 Cu7 I4 N3 O17.65 -","- C156 H84 Cu28 I16 N12 O70.6 -","4","0.333333","","Luo, Xiaolong; Sun, Libo; Zhao, Jun; Li, Dong-Sheng; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Three Metal‒Organic Frameworks Based on Binodal Inorganic Building Units and Hetero-O, N Donor Ligand: Solvothermal Syntheses, Structures, and Gas Sorption Properties","Crystal Growth & Design","2015","15","10","4901","","10.1021/acs.cgd.5b00791","","","0.71073","MoKα","","0.0602","0.0439","","","0.1289","0.136","","","","","","1.01","","","","has coordinates,has disorder","231280","2020-10-21","18:00:00",""
"4516382","10.24","0.005","13.772","0.006","16.7","0.006","90","","127.046","0.019","90","","1879.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd N2 O10 -","- C15 H20 Cd N2 O10 -","- C60 H80 Cd4 N8 O40 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Fu, Zhihua; Su, Yanqing; Xu, Gang","Porous Cadmium(II) Anionic Metal‒Organic Frameworks Based on Aromatic Tricarboxylate Ligands: Encapsulation of Protonated Flexible Bis(2-methylimidazolyl) Ligands and Proton Conductivity","Crystal Growth & Design","2015","15","9","4543","","10.1021/acs.cgd.5b00799","","","0.71073","MoKα","","0.1161","0.098","","","0.1612","0.1692","","","","","","1.237","","","","has coordinates","231281","2020-10-21","18:00:00",""
"4516383","13.926","0.006","16.59","0.007","16.181","0.007","90","","110.296","0.007","90","","3506","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cd2 N2 O14.5 -","- C36 H25 Cd2 N2 O14.5 -","- C144 H100 Cd8 N8 O58 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Fu, Zhihua; Su, Yanqing; Xu, Gang","Porous Cadmium(II) Anionic Metal‒Organic Frameworks Based on Aromatic Tricarboxylate Ligands: Encapsulation of Protonated Flexible Bis(2-methylimidazolyl) Ligands and Proton Conductivity","Crystal Growth & Design","2015","15","9","4543","","10.1021/acs.cgd.5b00799","","","0.71073","MoKα","","0.0587","0.0407","","","0.0827","0.0906","","","","","","1.09","","","","has coordinates","231282","2020-10-21","18:00:00",""
"4516384","15.183","0.007","15.207","0.008","15.218","0.008","89.263","0.019","78.254","0.015","66.414","0.01","3143","3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C112 H132 Eu2 N12 O28 Sm4 -","- C112 H132 Eu2 N12 O28 Sm4 -","- C112 H132 Eu2 N12 O28 Sm4 -","1","1","","Wei, Yongqin; Wang, Gaoji; Wu, Kechen","First Eu(II)/Ln(III) Mixed Complex with High Oxidative Stability","Crystal Growth & Design","2015","15","11","5288","","10.1021/acs.cgd.5b00804","","","0.71073","MoKα","","0.0608","0.0575","","","0.148","0.1523","","","","","","1.035","","","","has coordinates","231283","2020-10-21","18:00:00",""
"4516385","15.1243","0.0005","15.1725","0.0006","15.1882","0.0007","78.901","0.004","66.852","0.004","89.556","0.003","3135.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C112 H132 Eu2 N12 O28 Tb4 -","- C112 H132 Eu2 N12 O28 Tb4 -","- C112 H132 Eu2 N12 O28 Tb4 -","1","1","","Wei, Yongqin; Wang, Gaoji; Wu, Kechen","First Eu(II)/Ln(III) Mixed Complex with High Oxidative Stability","Crystal Growth & Design","2015","15","11","5288","","10.1021/acs.cgd.5b00804","","","0.71073","MoKα","","0.1024","0.09","","","0.2248","0.2408","","","","","","1.043","","","","has coordinates","231284","2020-10-21","18:00:00",""
"4516386","15.246","0.004","15.252","0.004","15.28","0.004","66.002","0.005","89.09","0.007","78.068","0.007","3166.6","1.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C112 H132 Eu6 N12 O28 -","- C112 H132 Eu6 N12 O28 -","- C112 H132 Eu6 N12 O28 -","1","1","","Wei, Yongqin; Wang, Gaoji; Wu, Kechen","First Eu(II)/Ln(III) Mixed Complex with High Oxidative Stability","Crystal Growth & Design","2015","15","11","5288","","10.1021/acs.cgd.5b00804","","","0.71073","MoKα","","0.0698","0.0672","","","0.1672","0.1699","","","","","","1.048","","","","has coordinates","231285","2020-10-21","18:00:00",""
"4516387","22.1353","0.0003","13.7831","0.0002","8.7343","0.0001","90","","92.025","0.001","90","","2663.11","0.06","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 O9 Pb -","- C9 H14 O9 Pb -","- C72 H112 O72 Pb8 -","8","1","","Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios","Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands","Crystal Growth & Design","2015","15","11","5310","","10.1021/acs.cgd.5b00861","","","1.54178","CuKα","","0.0418","0.038","","","0.0831","0.0864","","","","","","1.072","","","","has coordinates","231286","2020-10-21","18:00:00",""
"4516388","24.67","0.0004","43.4593","0.0008","17.0949","0.0003","90","","97.165","0.001","90","","18185","0.5","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C336 H380.6 N48 O130.3 Pb12 -","- C336 H216 N48 O130.3 Pb12 -","- C672 H432 N96 O260.6 Pb24 -","2","1","","Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios","Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands","Crystal Growth & Design","2015","15","11","5310","","10.1021/acs.cgd.5b00861","","","1.54187","CuKα","","0.0569","0.0544","","","0.1352","0.138","","","","","","1.029","","","","has coordinates","231287","2020-10-21","18:00:00",""
"4516389","12.8713","0.0003","13.7355","0.0004","12.872","0.0004","90","0.001","105.091","0.001","90","0.001","2197.21","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O11 Pb -","- C20 H22 N2 O11 Pb -","- C80 H88 N8 O44 Pb4 -","4","1","","Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios","Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands","Crystal Growth & Design","2015","15","11","5310","","10.1021/acs.cgd.5b00861","","","0.71073","MoKα","","0.0299","0.0238","","","0.0432","0.0452","","","","","","1.08","","","","has coordinates","231288","2020-10-21","18:00:00",""
"4516390","7.952","0.0002","8.1662","0.0002","8.7137","0.0002","72.38","0.001","66.27","0.001","73.574","0.001","485.23","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H4 O8 Pb2 -","- C8 H4 O8 Pb2 -","- C16 H8 O16 Pb4 -","2","1","","Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios","Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands","Crystal Growth & Design","2015","15","11","5310","","10.1021/acs.cgd.5b00861","","","0.71073","MoKα","","0.0234","0.0217","","","0.0528","0.0537","","","","","","1.14","","","","has coordinates","231289","2020-10-21","18:00:00",""
"4516391","12.381","0.002","13.598","0.002","16.349","0.003","100.944","0.004","109.738","0.004","97.658","0.004","2484.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 F3 N O3 -","- C32 H22 F3 N O3 -","- C128 H88 F12 N4 O12 -","4","2","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0564","0.0441","","","0.1082","0.1139","","","","","","1.068","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516392","14.6828","0.0013","9.638","0.0008","17.5477","0.0015","90","","100.688","0.002","90","","2440.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N O4 -","- C32 H25 N O4 -","- C128 H100 N4 O16 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.058","0.0412","","","0.0901","0.0972","","","","","","0.976","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516393","7.9995","0.0012","19.124","0.003","15.191","0.002","90","","90","","90","","2324","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H22 F N O3 -","- C31 H22 F N O3 -","- C124 H88 F4 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0463","0.0435","","","0.111","0.1126","","","","","","1.08","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516394","14.53","0.002","9.5628","0.0015","17.641","0.003","90","","100.683","0.003","90","","2408.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N O3 -","- C32 H25 N O3 -","- C128 H100 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0534","0.0409","","","0.1019","0.1079","","","","","","1.049","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516395","12.143","0.0009","7.6745","0.0005","17.9084","0.0013","90","","92.807","0.002","90","","1666.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0514","0.0441","","","0.1062","0.1105","","","","","","1.032","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516396","10.773","0.0014","7.7574","0.001","18.008","0.002","90","","95.4","0.003","90","","1498.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0432","0.0393","","","0.0954","0.0985","","","","","","1.033","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516397","11.0251","0.0016","11.979","0.0018","12.0044","0.0018","81.529","0.003","63.707","0.003","71.683","0.003","1349.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H22 Br Cl1.5 D0.5 N O3 -","- C31.4995 H22.4995 Br Cl1.4985 N O3 -","- C62.999 H44.999 Br2 Cl2.997 N2 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0574","0.0493","","","0.1173","0.122","","","","","","1.038","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516398","9.2013","0.0013","11.9564","0.0017","12.7583","0.0018","67.182","0.003","80.328","0.003","74.476","0.003","1243.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl2 N3 O3 -","- C29 H23 Cl2 N3 O3 -","- C58 H46 Cl4 N6 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0509","0.0439","","","0.1072","0.1118","","","","","","1.034","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516399","9.6779","0.0008","9.7233","0.0008","15.3703","0.0012","87.907","0.002","86.025","0.002","63.842","0.002","1295.08","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O5 -","- C33 H26 N2 O5 -","- C66 H52 N4 O10 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0658","0.0418","","","0.0881","0.0959","","","","","","0.958","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516400","29.9603","0.0012","29.9603","0.0012","14.0693","0.0011","90","","90","","120","","10936.9","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C468 H342 N18 O72 -","18","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0614","0.047","","","0.1287","0.1362","","","","","","1.011","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516401","9.4119","0.0019","12.09","0.002","12.896","0.003","64.551","0.003","81.025","0.003","76.83","0.003","1287.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.75 H22.75 Cl2.25 N2 O3 -","- C29.748 H22.748 Cl2.244 N2 O3 -","- C59.496 H45.496 Cl4.488 N4 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0729","0.0596","","","0.1601","0.1699","","","","","","1.014","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516402","10.5608","0.0008","6.4181","0.0005","19.8406","0.0014","90","","90.419","0.002","90","","1344.77","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0567","0.0455","","","0.1158","0.1217","","","","","","1.064","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516403","11.924","0.002","14.177","0.003","16.742","0.003","90","","90","","90","","2830.2","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 F N O3 -","- C40 H26 F N O3 -","- C160 H104 F4 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0386","0.033","","","0.0747","0.0766","","","","","","1.028","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516404","17.7048","0.0017","15.0244","0.0015","14.9507","0.0014","90","","113.124","0.003","90","","3657.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C192 H144 N16 O16 -","8","2","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.054","0.0394","","","0.092","0.0978","","","","","","1.043","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516405","27.901","0.005","13.66","0.002","12.465","0.002","90","","110.734","0.003","90","","4443.1","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C224 H168 N24 O24 -","8","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0624","0.0462","","","0.1061","0.1128","","","","","","1.025","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516406","10.3368","0.001","11.1632","0.0011","12.0626","0.0011","115.035","0.002","98.76","0.002","94.132","0.002","1231.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33.5 H27 N O3 -","- C33.5 H27 N O3 -","- C67 H54 N2 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0565","0.047","","","0.1208","0.1272","","","","","","1.033","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516407","9.8055","0.001","13.4551","0.0013","15.5005","0.0015","67.404","0.002","88.581","0.002","83.35","0.002","1874.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H23 Cl9 D3 N O4 -","- C37 H23 Cl9 D3 N O4 -","- C74 H46 Cl18 D6 N2 O8 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0649","0.0551","","","0.1463","0.1527","","","","","","1.04","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516408","36.166","0.002","36.166","0.002","9.4155","0.0011","90","","90","","120","","10665.3","1.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H23 N O2 -","- C33 H23 N O2 -","- C594 H414 N18 O36 -","18","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.1057","0.0434","","","0.0587","0.0695","","","","","","0.794","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516409","9.1631","0.0004","11.6035","0.0005","14.0377","0.0007","97.493","0.002","90.267","0.002","112.057","0.001","1369.16","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H26 N2 O3 -","- C39 H26 N2 O3 -","- C78 H52 N4 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","x-ray","0.71073","MoKα","","0.0455","0.0383","","","0.0947","0.0991","","","","","","1.022","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516410","21.161","0.002","17.4083","0.0016","16.53","0.0015","90","","111.823","0.002","90","","5652.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H26 N2 O3 -","- C41 H26 N2 O3 -","- C328 H208 N16 O24 -","8","2","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.067","0.0541","","","0.126","0.133","","","","","","1.062","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516411","7.9417","0.0005","18.8238","0.0011","15.5691","0.0009","90","","90","","90","","2327.5","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C124 H92 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","x-ray","0.71073","MoKα","","0.0316","0.0306","","","0.0774","0.0782","","","","","","1.062","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516412","20.0486","0.0004","20.0486","0.0004","71.773","0.0017","90","","90","","120","","24983.9","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H296 Cu20 In32 N64 S78 -","- C54 Cu20 In32 N36 S78 -","- C162 Cu60 In96 N108 S234 -","3","0.166667","","Zhao, Xiao-Wei; Qian, Li-Wen; Su, Hu-Chao; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie","Co-assembled T4-Cu4In16S35 and Cubic Cu12S8 Clusters: A Crystal Precursor for Near-Infrared Absorption Material","Crystal Growth & Design","2015","15","12","5749","","10.1021/acs.cgd.5b00960","","","0.71073","MoKα","","0.1148","0.0751","","","0.1604","0.1754","","","","","","1.091","","","","has coordinates","231292","2020-10-21","18:00:00",""
"4516420","12.399","0.004","12.399","0.004","51.391","0.015","90","","90","","120","","6842","4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C23 H10 N0 O10 Zn2 -","- C23 H10 O10 Zn2 -","- C138 H60 O60 Zn12 -","6","1","","Li, Jiang; Yang, Guo-Ping; Wei, Shi-Long; Gao, Rui-Cheng; Bai, Nan-Nan; Wang, Yao-Yu","Two Microporous Metal‒Organic Frameworks with Suitable Pore Size Displaying the High CO2/CH4 Selectivity","Crystal Growth & Design","2015","15","11","5382","","10.1021/acs.cgd.5b00997","","","0.71073","MoKα","","0.0994","0.0695","","","0.1737","0.191","","","","","","0.606","","","","has coordinates","231300","2020-10-21","18:00:00",""
"4516421","29.524","0.014","11.342","0.005","23.007","0.011","90","","90","","90","","7704","6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C53 H35 Cd4 N3 O24 -","- C53 H35 Cd4 N3 O24 -","- C212 H140 Cd16 N12 O96 -","4","0.5","","Li, Jiang; Yang, Guo-Ping; Wei, Shi-Long; Gao, Rui-Cheng; Bai, Nan-Nan; Wang, Yao-Yu","Two Microporous Metal‒Organic Frameworks with Suitable Pore Size Displaying the High CO2/CH4 Selectivity","Crystal Growth & Design","2015","15","11","5382","","10.1021/acs.cgd.5b00997","","","0.71073","MoKα","","0.1102","0.057","","","0.1555","0.1748","","","","","","0.895","","","","has coordinates,has disorder","231300","2020-10-21","18:00:00",""
"4516422","10.2865","0.0002","11.2102","0.0003","14.1646","0.0003","110.297","0.001","91.049","0.001","97.396","0.001","1515.72","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen'","","- C40 H26 O2 S4 -","- C40 H26 O2 S4 -","- C80 H52 O4 S8 -","2","1","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0382","0.0328","","","0.0868","0.0896","","","","","","1.062","","","","has coordinates","231301","2020-10-21","18:00:00",""
"4516423","8.3313","0.0002","10.0446","0.0003","12.0894","0.0003","68.703","0.002","76.808","0.002","87.818","0.002","916.61","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 O4 S4 -","- C44 H38 O4 S4 -","- C44 H38 O4 S4 -","1","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0467","0.0378","","","0.0821","0.0852","","","","","","1.088","","","","has coordinates,has disorder","231302","2020-10-21","18:00:00",""
"4516424","10.3085","0.0004","8.6898","0.0003","23.6723","0.001","90","","99.378","0.002","90","","2092.19","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol pyrrolidine disolvate'","","- C36 H22 O2 S4 -","- C36 H22 O2 S4 -","- C72 H44 O4 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0547","0.0466","","","0.1322","0.1366","","","","","","1.053","","","","has coordinates","231303","2020-10-21","18:00:00",""
"4516425","10.0685","0.0003","8.4189","0.0003","23.9505","0.0008","90","","98.982","0.001","90","","2005.29","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol acetone disolvate'","","- C36 H22 O2 S4 -","- C36 H22 O2 S4 -","- C72 H44 O4 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0776","0.074","","","0.1887","0.1904","","","","","","1.085","","","","has coordinates","231304","2020-10-21","18:00:00",""
"4516426","12.2921","0.0003","6.4611","0.0001","25.126","0.0006","90","","96.924","0.001","90","","1980.97","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen dimethyl formamide disolvate'","","- C46 H40 N2 O4 S4 -","- C46 H40 N2 O4 S4 -","- C92 H80 N4 O8 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0411","0.0325","","","0.086","0.0897","","","","","","1.061","","","","has coordinates","231305","2020-10-21","18:00:00",""
"4516427","10.1001","0.0003","8.4594","0.0002","23.9058","0.0006","90","","98.695","0.001","90","","2019.06","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol dimethyl sulfoxide disolvate'","","- C36 H22 O2 S4 -","- C36 H22 O2 S4 -","- C72 H44 O4 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0399","0.0376","","","0.0959","0.097","","","","","","1.048","","","","has coordinates,has disorder","231306","2020-10-21","18:00:00",""
"4516428","13.8602","0.0004","13.4898","0.0004","20.883","0.0005","90","","102.707","0.001","90","","3808.89","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol dimethyl formamide disolvate'","","- C42 H36 N2 O4 S4 -","- C42 H36 N2 O4 S4 -","- C168 H144 N8 O16 S16 -","4","1","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0523","0.0437","","","0.108","0.113","","","","","","1.084","","","","has coordinates","231307","2020-10-21","18:00:00",""
"4516429","12.3347","0.0005","8.9162","0.0003","18.2149","0.0007","90","","92.373","0.002","90","","2001.53","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen 1,4-dioxane disolvate'","","- C48 H42 O6 S4 -","- C48 H42 O6 S4 -","- C96 H84 O12 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0667","0.0469","","","0.1179","0.1261","","","","","","1.077","","","","has coordinates,has disorder","231308","2020-10-21","18:00:00",""
"4516430","12.5432","0.0006","6.0919","0.0002","25.1916","0.0011","90","","103.126","0.002","90","","1874.65","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol n-butanol disolvate'","","- C44 H42 O4 S4 -","- C44 H42 O4 S4 -","- C88 H84 O8 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0574","0.0385","","","0.0899","0.0959","","","","","","1.056","","","","has coordinates,has disorder","231309","2020-10-21","18:00:00",""
"4516431","9.8871","0.0003","10.0446","0.0003","12.0267","0.0003","72.707","0.001","85.37","0.001","64.566","0.001","1028.35","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen pyrrolidine disolvate'","","- C48 H44 N2 O2 S4 -","- C48 H44 N2 O2 S4 -","- C48 H44 N2 O2 S4 -","1","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0408","0.0379","","","0.0982","0.1","","","","","","1.043","","","","has coordinates,has disorder","231310","2020-10-21","18:00:00",""
"4516432","10.5048","0.0005","9.6623","0.0004","20.7737","0.0008","90","","100.769","0.002","90","","2071.41","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen diethylamine disolvate'","","- C48 H48 N2 O2 S4 -","- C48 H48 N2 O2 S4 -","- C96 H96 N4 O4 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0849","0.047","","","0.0962","0.1086","","","","","","1.015","","","","has coordinates,has disorder","231311","2020-10-21","18:00:00",""
"4516433","10.8926","0.0002","9.8674","0.0002","17.8703","0.0004","90","","93.377","0.001","90","","1917.39","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen acetone disolvate'","","- C46 H38 O4 S4 -","- C46 H38 O4 S4 -","- C92 H76 O8 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0613","0.0564","","","0.1358","0.139","","","","","","1.059","","","","has coordinates,has disorder","231312","2020-10-21","18:00:00",""
"4516434","9.4309","0.0006","10.9803","0.0007","19.8098","0.0012","88.367","0.001","89.747","0.001","83.393","0.001","2036.9","0.2","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br8 Co Cu5 N6 -","- C30 H24 Br8 Co Cu5 N6 -","- C60 H48 Br16 Co2 Cu10 N12 -","2","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.077","0.0423","","","0.1275","0.1423","","","","","","1.046","","","","has coordinates","231313","2020-10-21","18:00:00",""
"4516435","13.766","0.002","28.086","0.005","15.412","0.003","90","","90","","90","","5958.8","1.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H32 Cu7 I11 N8 Ru2 -","- C40 H32 Cu7 I11 N8 Ru2 -","- C160 H128 Cu28 I44 N32 Ru8 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.066","0.0608","","","0.1804","0.1858","","","","","","1.092","","","","has coordinates","231314","2020-10-21","18:00:00",""
"4516436","26.4739","0.0012","14.9139","0.0007","14.1172","0.0007","90","","99.82","0.001","90","","5492.2","0.5","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cu9 I12 N6 -","- C32 H30 Cu9 I12 N6 -","- C128 H120 Cu36 I48 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0438","0.032","","","0.0777","0.0829","","","","","","1.004","","","","has coordinates","231315","2020-10-21","18:00:00",""
"4516437","13.5177","0.0012","13.8827","0.0013","23.867","0.002","90","","90","","90","","4478.9","0.7","296","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Co Cu5 I7 N6 -","- C30 H24 Co Cu5 I7 N6 -","- C120 H96 Co4 Cu20 I28 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0567","0.0505","","","0.1464","0.1503","","","","","","1.138","","","","has coordinates","231316","2020-10-21","18:00:00",""
"4516438","13.4901","0.0012","13.8822","0.0012","23.859","0.002","90","","90","","90","","4468.1","0.7","296","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu5 I7 N6 Ni -","- C30 H24 Cu5 I7 N6 Ni -","- C120 H96 Cu20 I28 N24 Ni4 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0467","0.0413","","","0.115","0.1184","","","","","","1.116","","","","has coordinates","231317","2020-10-21","18:00:00",""
"4516439","13.699","0.0009","28.1382","0.0018","15.4525","0.001","90","","90","","90","","5956.4","0.7","296","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Cu9 I11 N8 -","- C40 H32 Cu9 I11 N8 -","- C160 H128 Cu36 I44 N32 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0519","0.0423","","","0.1126","0.1198","","","","","","1.05","","","","has coordinates","231318","2020-10-21","18:00:00",""
"4516440","14.2597","0.0007","14.2597","0.0007","31.7534","0.0016","90","","90","","120","","5591.7","0.5","296","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Cu6 I11 K Mn2 N12 -","- C60 H48 Cu6 I11 K0.999 Mn2 N12 -","- C180 H144 Cu18 I33 K2.997 Mn6 N36 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0405","0.0371","","","0.0933","0.0958","","","","","","1.028","","","","has coordinates","231319","2020-10-21","18:00:00",""
"4516441","13.699","0.0009","28.1382","0.0018","15.4525","0.001","90","","90","","90","","5956.4","0.7","293","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Cu9 I11 N8 -","- C40 H32 Cu9 I11 N8 -","- C160 H128 Cu36 I44 N32 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.052","0.0424","","","0.113","0.1201","","","","","","1.053","","","","has coordinates","231320","2020-10-21","18:00:00",""
"4516442","13.4104","0.0009","13.792","0.001","23.7344","0.0016","90","","90","","90","","4389.8","0.5","296","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu5 Fe I7 N6 -","- C30 H24 Cu5 Fe I7 N6 -","- C120 H96 Cu20 Fe4 I28 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0534","0.0456","","","0.1319","0.1376","","","","","","1.037","","","","has coordinates","231321","2020-10-21","18:00:00",""
"4516443","5.3064","0.0012","9.9344","0.0016","14.382","0.002","92.733","0.013","99.956","0.016","93.509","0.016","744","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H22 N4 O4 S -","- C11 H22 N4 O4 S -","- C22 H44 N8 O8 S2 -","2","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.2396","0.0655","","","0.1026","0.1405","","","","","","1.016","","","","has coordinates","231322","2020-10-21","18:00:00",""
"4516444","13.129","0.002","5.1895","0.0008","11.809","0.002","90","","108.34","0.01","90","","763.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 N8 O4 S2 -","- C8 H18 N8 O4 S2 -","- C16 H36 N16 O8 S4 -","2","0.5","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.086","0.0361","","","0.0586","0.0723","","","","","","1","","","","has coordinates","231323","2020-10-21","18:00:00",""
"4516445","5.413","0.0011","10.624","0.002","12.271","0.003","69.95","0.03","84.72","0.03","85.73","0.03","659.4","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 N4 O4 S -","- C9 H18 N4 O4 S -","- C18 H36 N8 O8 S2 -","2","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.1049","0.048","","","0.0935","0.1111","","","","","","1.051","","","","has coordinates","231324","2020-10-21","18:00:00",""
"4516446","14.115","0.002","4.888","0.001","14.301","0.002","90","","95.54","0.01","90","","982.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N8 O6 S2 -","- C10 H26 N8 O6 S2 -","- C20 H52 N16 O12 S4 -","2","0.5","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.145","0.0459","","","0.0729","0.0967","","","","","","1.002","","","","has coordinates","231325","2020-10-21","18:00:00",""
"4516447","4.0633","0.0004","11.8739","0.0013","15.4615","0.0015","69.99","0.01","86.541","0.008","89.414","0.008","699.62","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O4 S -","- C10 H20 N4 O4 S -","- C20 H40 N8 O8 S2 -","2","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.2006","0.0677","","","0.1003","0.1382","","","","","","1.004","","","","has coordinates","231326","2020-10-21","18:00:00",""
"4516448","26.1189","0.0012","4.0778","0.0002","15.4735","0.0007","90","","119.509","0.004","90","","1434.26","0.13","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H16 N8 O4 S2 -","- C7 H16 N8 O4 S2 -","- C28 H64 N32 O16 S8 -","4","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.1148","0.0431","","","0.0625","0.0803","","","","","","1","","","","has coordinates","231327","2020-10-21","18:00:00",""
"4516449","10.381","0.002","16.044","0.003","14.255","0.003","90","","108.6","0.03","90","","2250.2","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 N8 O8 S2 -","- C14 H28 N8 O8 S2 -","- C56 H112 N32 O32 S8 -","4","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.1614","0.0432","","","0.0365","0.0448","","","","","","1","","","","has coordinates","231328","2020-10-21","18:00:00",""
"4516450","22.814","0.001","9.1161","0.0004","10.6126","0.0004","90","","107.504","0.004","90","","2104.95","0.16","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 N8 O4 S2 -","- C14 H30 N8 O4 S2 -","- C56 H120 N32 O16 S8 -","4","0.5","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.0768","0.0352","","","0.0715","0.0945","","","","","","1.001","","","","has coordinates","231329","2020-10-21","18:00:00",""
"4516451","12.2259","0.0005","23.8611","0.0011","4.647","0.0002","90","","90","","90","","1355.64","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C64 H48 N8 S4 -","4","1","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.0531","0.0406","","","0.0859","0.0914","","","","","","1.026","","","","has coordinates","231330","2020-10-21","18:00:00",""
"4516452","7.2575","0.0003","8.1541","0.0003","16.1939","0.0006","103.278","0.002","90.896","0.002","114.302","0.002","843.48","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 Ag Cl N2 O4 S -","- C16 H12 Ag Cl N2 O4 S -","- C32 H24 Ag2 Cl2 N4 O8 S2 -","2","1","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.0267","0.0243","","","0.0598","0.0608","","","","","","1.052","","","","has coordinates","231330","2020-10-21","18:00:00",""
"4516453","23.266","0.0006","8.018","0.0002","15.588","0.0005","90","","130.161","0.002","90","","2222.31","0.13","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Ag2 F6 N2 O4 S -","- C20 H12 Ag2 F6 N2 O4 S -","- C80 H48 Ag8 F24 N8 O16 S4 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.0193","0.0176","","","0.0459","0.0466","","","","","","1.065","","","","has coordinates,has disorder","231330","2020-10-21","18:00:00",""
"4516454","20.9049","0.0004","14.6808","0.0003","14.2515","0.0003","90","","108.043","0.001","90","","4158.71","0.15","173","2","173","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C68 H56 Ag3 Cl8 F18 N8 P3 S4 -","- C68 H56 Ag3 Cl8 F18 N8 P3 S4 -","- C136 H112 Ag6 Cl16 F36 N16 P6 S8 -","2","0.5","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.0587","0.0394","","","0.0903","0.1012","","","","","","1.017","","","","has coordinates","231330","2020-10-21","18:00:00",""
"4516455","9.8559","0.0002","14.1444","0.0004","16.2582","0.0005","90","","94.878","0.002","90","","2258.28","0.11","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu2 Hg I4 N2 S -","- C16 H12 Cu2 Hg I4 N2 S -","- C64 H48 Cu8 Hg4 I16 N8 S4 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.033","0.0275","","","0.0589","0.0614","","","","","","1.038","","","","has coordinates","231330","2020-10-21","18:00:00",""
"4516456","15.186","0.003","20.183","0.003","21.725","0.004","90","","102.707","0.003","90","","6496","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 Cr2 O14 Sn4 -","- C54 H88 Cr2 O14 Sn4 -","- C216 H352 Cr8 O56 Sn16 -","4","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.1191","0.0778","","","0.1695","0.192","","","","","","1.042","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516457","11.267","0.005","11.793","0.005","11.808","0.005","98.599","0.005","108.484","0.005","93.685","0.005","1460.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cr2 O10 Sn -","- C28 H28 Cr2 O10 Sn -","- C56 H56 Cr4 O20 Sn2 -","2","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71069","MoKα","","0.0956","0.0644","","","0.1476","0.1663","","","","","","0.981","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516458","11.415","0.005","12.17","0.005","15.433","0.005","89.68","0.005","73.644","0.005","89.977","0.005","2057.2","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cr2 O12 Sn2 -","- C36 H48 Cr2 O12 Sn2 -","- C72 H96 Cr4 O24 Sn4 -","2","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71069","MoKα","","0.1018","0.0917","","","0.1987","0.205","","","","","","1.19","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516459","9.9186","0.0014","10.343","0.002","12.9428","0.0018","107.696","0.003","91.561","0.003","118.564","0.002","1087.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cr O7 Sn2 -","- C17 H22 Cr O7 Sn2 -","- C34 H44 Cr2 O14 Sn4 -","2","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.0522","0.0486","","","0.1202","0.1219","","","","","","1.186","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516460","18.317","0.007","10.15","0.004","25.277","0.013","90","","110.942","0.011","90","","4389","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C17 H22 Cr O7 Sn2 -","- C17 H22 Cr O7 Sn2 -","- C136 H176 Cr8 O56 Sn16 -","8","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.1034","0.0673","","","0.164","0.1853","","","","","","1.047","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516461","13.856","0.001","10.3151","0.0008","20.5239","0.0015","90","","96.626","0.001","90","","2913.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cr N2 O7 Sn2 -","- C27 H30 Cr N2 O7 Sn2 -","- C108 H120 Cr4 N8 O28 Sn8 -","4","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.0231","0.0203","","","0.0478","0.0489","","","","","","1.082","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516462","13.193","0.005","18.567","0.005","18.021","0.005","90","","93.435","0.005","90","","4406","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cr O9 Sn2 -","- C48 H40 Cr O9 Sn2 -","- C192 H160 Cr4 O36 Sn8 -","4","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.0385","0.0274","","","0.0595","0.0633","","","","","","1.038","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516463","9.836","0.005","10.743","0.005","14.063","0.005","109.941","0.005","100.146","0.005","96.279","0.005","1351.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Mn4 O22 Sn4 -","- C44 H40 Mn4 O22 Sn4 -","- C44 H40 Mn4 O22 Sn4 -","1","0.5","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.0267","0.0224","","","0.0525","0.054","","","","","","1.091","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516464","7.073","0.005","10.244","0.005","16.376","0.005","98.435","0.005","91.365","0.005","93.543","0.005","1170.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Mn2 O16 Sn4 -","- C34 H46 Mn2 O16 Sn4 -","- C34 H46 Mn2 O16 Sn4 -","1","0.5","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71069","MoKα","","0.0484","0.0293","","","0.0613","0.0676","","","","","","1.038","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516473","5.0179","0.0001","28.8971","0.0006","12.9362","0.0003","90","","98.757","0.002","90","","1853.92","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-di(2-phenyl-1H-imidazol-4-yl)benzene","","- C24 H18 N4 -","- C24 H18 N4 -","- C96 H72 N16 -","4","1","","Latosińska, Jolanta Natalia; Latosińska, Magdalena; Maurin, Jan Krzysztof; Kazimierczuk, Zygmunt","Impact of Aromatic Ring Count on the Ability to Participate in Attractive Interactions. Crystal Structure (X-ray) and Solid State Computational (DFT/QTAIM/RDS/Hirshfeld-surfaces) Study of 1,4-di(2-phenyl-1H-imidazol-4-yl)benzene. A Potential Nanotechnology Intrinsic Component","Crystal Growth & Design","2015","15","11","5464","","10.1021/acs.cgd.5b01104","","","1.54178","CuKα","","0.0867","0.0642","","","0.1912","0.2063","","","","","","1.048","","","","has coordinates","231333","2020-10-21","18:00:00",""
"4516474","18.997","0.004","24.852","0.006","27.646","0.006","90","","104.45","0.01","90","","12639","5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","[tetrakis{mu-(thymine-1-acetato-KO:KO´)}bis(dimethylformamide)dicopper(II)]- [tetrakis{mu-(thymine-1-acetato-KO:KO´)}aqua(dimethylformamide)dicopper(II)] (1/1)-unknown solvate","","- C65 H79 Cu4 N19 O36 -","- C65 H79 Cu4 N19 O36 -","- C260 H316 Cu16 N76 O144 -","4","1","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.1142","0.077","","","0.2187","0.2365","","","","","","0.966","","","","has coordinates","231334","2020-10-21","18:00:00",""
"4516475","13.4524","0.0004","11.3654","0.0003","16.6721","0.0004","90","","94.674","0.002","90","","2540.55","0.12","293","2","296","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","[tetrakis{mu-(thymine-1-acetato-KO:KO´)}bis(dimethylformamide)dicopper(II)]-dimethylformamide (1/2)","","- C40 H44 Cu2 N12 O20 -","- C40 H44 Cu2 N12 O20 -","- C80 H88 Cu4 N24 O40 -","2","0.5","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.0568","0.0498","","","0.1517","0.1589","","","","","","1.058","","","","has coordinates","231334","2020-10-21","18:00:00",""
"4516476","9.4516","0.0009","13.4558","0.0012","14.2802","0.0011","64.204","0.003","89.82","0.003","79.094","0.003","1599.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","[tetrakis{mu-(thymine-1-acetato-KO:KO´)}bis(dimethylsulfoxide)dicopper(II)]-dimethylsulfoxide (1/6)","","- C44 H76 Cu2 N8 O24 S8 -","- C44 H40 Cu2 N8 O24 S8 -","- C44 H40 Cu2 N8 O24 S8 -","1","0.5","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.1104","0.0779","","","0.2049","0.228","","","","","","1.049","","","","has coordinates,has disorder","231334","2020-10-21","18:00:00",""
"4516477","11.199","0.0003","15.5475","0.0005","15.6884","0.0005","80.724","0.002","74.622","0.001","71.103","0.002","2483.35","0.13","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","[tetrakis{mu-(thymine-1-acetato-KO:KO´)}bis(dimethylacetamide)dicopper(II)]-dimethylacetamide (1/1)","","- C40 H55 Cu2 N11 O19 -","- C40 H46 Cu2 N11 O19 -","- C80 H92 Cu4 N22 O38 -","2","1","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.0626","0.0475","","","0.1359","0.1562","","","","","","1.145","","","","has coordinates,has disorder","231334","2020-10-21","18:00:00",""
"4516478","9.3071","0.0002","10.7239","0.0002","11.2475","0.0002","81.814","0.001","65.581","0.001","83.654","0.001","1010.1","0.03","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","[bis{mu-(thymine-1-acetato-KO:KO´)}bis{mu-(uracil-1-acetato-KO:KO´)}bis(dimethylformamide)dicopper(II)]","","- C32 H38 Cu2 N10 O18 -","- C32 H38 Cu2 N10 O18 -","- C32 H38 Cu2 N10 O18 -","1","0.5","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.054","0.0479","","","0.1413","0.1474","","","","","","1.129","","","","has coordinates,has disorder","231334","2020-10-21","18:00:00",""
"4516479","9.4621","0.0005","11.1133","0.0004","12.304","0.0005","65.178","0.002","78.605","0.002","89.604","0.002","1146.94","0.09","296","2","296","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","[tetrakis{mu-(uracil-1-acetato-KO:KO´)}bis(dimethylsulfoxide)dicopper(II)]-dimethylsulfoxide (1/2)","","- C32 H44 Cu2 N8 O20 S4 -","- C32 H44 Cu2 N8 O20 S4 -","- C32 H44 Cu2 N8 O20 S4 -","1","0.5","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.0825","0.0557","","","0.1555","0.1881","","","","","","1.122","","","","has coordinates,has disorder","231334","2020-10-21","18:00:00",""
"4516480","11.6891","0.0013","6.1604","0.0007","8.8738","0.0012","90","","106.424","0.006","90","","612.92","0.13","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-D-Alanine) hydrate","","- C12 H13 N2 O4 -","- C12 H13 N2 O4 -","- C24 H26 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","x-ray","1.5418","CuKα","","0.1098","0.1094","","0.1365","0.1365","","","","10.38","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516481","11.1238","0.0005","6.1919","0.0003","8.9149","0.0005","90","","100.563","0.004","90","","603.63","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-L-Alanine) hydrate","","- C12 H13 N2 O4 -","- C12 H13 N2 O4 -","- C24 H26 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","x-ray","1.5418","CuKα","","0.0983","0.0973","","0.1045","0.1044","","","","4.42","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516482","11.6892","0.0013","6.1603","0.0007","8.8732","0.0012","90","","106.419","0.006","90","","612.89","0.13","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-D-Alanine) hydrate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","","1.5418","CuKα","","0.0872","0.0871","","","0.1095","0.1095","","","11.55","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516483","11.1237","0.0005","6.1915","0.0003","8.9145","0.0005","90","","100.561","0.004","90","","603.56","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-L-Alanine) hydrate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","","1.5418","CuKα","","0.0645","0.0643","","","0.0865","0.0865","","","6.29","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516484","12.1116","0.0018","11.2257","0.0015","14.8557","0.0018","90","","94.573","0.005","90","","2013.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C84 H68 N12 O16 S4 -","4","1","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.1173","0.0517","","","0.104","0.1278","","","","","","0.992","","","","has coordinates","231336","2020-10-21","18:00:00",""
"4516485","10.9669","0.0005","11.6578","0.0006","15.8105","0.0008","90.949","0.002","106.494","0.001","94.68","0.002","1930.06","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C84 H68 N12 O16 S4 -","4","2","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.0581","0.04","","","0.0979","0.1092","","","","","","1.022","","","","has coordinates","231337","2020-10-21","18:00:00",""
"4516486","27.545","0.002","12.0217","0.001","13.7703","0.001","90","","118.646","0.004","90","","4001.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C168 H136 N24 O32 S8 -","8","1","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.1344","0.0578","","","0.1065","0.132","","","","","","1.024","","","","has coordinates","231338","2020-10-21","18:00:00",""
"4516487","7.4491","0.0006","14.2402","0.0011","18.3131","0.0016","87.191","0.006","84.895","0.005","77.08","0.005","1885.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C84 H68 N12 O16 S4 -","4","2","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.153","0.0564","","","0.1033","0.1313","","","","","","0.988","","","","has coordinates","231339","2020-10-21","18:00:00",""
"4516488","8.3554","0.0007","10.0022","0.0008","12.7955","0.001","67.259","0.004","80.749","0.004","86.833","0.004","973.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C42 H34 N6 O8 S2 -","2","1","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.0891","0.047","","","0.1138","0.1336","","","","","","1.021","","","","has coordinates","231340","2020-10-21","18:00:00",""
"4516489","10.5579","0.001","9.5156","0.0009","19.3079","0.0019","90","","93.088","0.001","90","","1936.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(coronene)2F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Saito, Gunzi","Improved Dynamic Properties of Charge-Transfer-Type Supramolecular Rotor Composed of Coronene and F4TCNQ","Crystal Growth & Design","2015","15","11","5513","","10.1021/acs.cgd.5b01138","","","0.71073","MoKα","","0.0469","0.0366","","","0.0908","0.0958","","","","","","1.09","","","","has coordinates","231341","2020-10-21","18:00:00",""
"4516490","14.8175","0.0015","25.123","0.002","16.457","0.002","90","","112.148","0.005","90","","5674.2","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 N2 O5 Zn -","- C25 H16 N2 O5 Zn -","- C200 H128 N16 O40 Zn8 -","8","1","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Makhloufi, Gamall; Janiak, Christoph","Effects of Extending the π-Electron System of Pillaring Linkers on Fluorescence Sensing of Aromatic Compounds in Two Isoreticular Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","11","5543","","10.1021/acs.cgd.5b01175","","","0.71073","MoKα","","0.0438","0.0307","","","0.0724","0.0761","","","","","","1.064","","","","has coordinates","231342","2020-10-21","18:00:00",""
"4516491","12.2042","0.0002","13.5361","0.0003","14.7","0.0003","90","","90","","90","","2428.4","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C96 H80 N16 O48 -","8","1","","Rybarczyk-Pirek, Agnieszka J.; Łukomska-Rogala, Marlena; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals","Crystal Growth & Design","2015","15","12","5802","","10.1021/acs.cgd.5b01177","","","0.71073","MoKα","","0.0344","0.0318","","","0.0918","0.0932","","","","","","1.13","","","","has coordinates","231343","2020-10-21","18:00:00",""
"4516492","12.0878","0.0003","6.8242","0.0001","15.8918","0.0003","90","","108.299","0.003","90","","1244.62","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O8 -","- C12 H10 N2 O8 -","- C48 H40 N8 O32 -","4","1","","Rybarczyk-Pirek, Agnieszka J.; Łukomska-Rogala, Marlena; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals","Crystal Growth & Design","2015","15","12","5802","","10.1021/acs.cgd.5b01177","","","0.71073","MoKα","","0.0411","0.0389","","","0.0924","0.0936","","","","","","1.071","","","","has coordinates","231343","2020-10-21","18:00:00",""
"4516493","9.492","0.0002","9.1828","0.0003","23.0451","0.0005","90","","94.702","0.002","90","","2001.92","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9.5 H10 N O5.5 -","- C9.5 H10 N O5.5 -","- C76 H80 N8 O44 -","8","1","","Rybarczyk-Pirek, Agnieszka J.; Łukomska-Rogala, Marlena; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals","Crystal Growth & Design","2015","15","12","5802","","10.1021/acs.cgd.5b01177","","","0.71073","MoKα","","0.031","0.0296","","","0.0765","0.0772","","","","","","1.145","","","","has coordinates","231343","2020-10-21","18:00:00",""
"4516494","8.0161","0.0003","9.1719","0.0003","9.6595","0.0003","74.079","0.003","86.251","0.003","70.884","0.003","645.06","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O5 S -","- C11 H12 N4 O5 S -","- C22 H24 N8 O10 S2 -","2","1","","Rybarczyk-Pirek, Agnieszka J.; Łukomska-Rogala, Marlena; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals","Crystal Growth & Design","2015","15","12","5802","","10.1021/acs.cgd.5b01177","","","0.71073","MoKα","","0.0297","0.0282","","","0.0805","0.0815","","","","","","1.149","","","","has coordinates","231343","2020-10-21","18:00:00",""
"4516495","16.1825","0.0006","5.4983","0.0002","14.0206","0.0005","90","","98.007","0.002","90","","1235.34","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 O4 S2 -","- C26 H32 N2 O4 S2 -","- C52 H64 N4 O8 S4 -","2","0.5","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0792","0.0545","","","0.1074","0.1158","","","","","","1.099","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516496","18.6134","0.0003","10.6685","0.0002","23.1955","0.0004","90","","90","","90","","4606.09","0.14","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C31 H36 Cl2 Cu4 I4 N4 O4 S2 -","- C31 H36 Cl2 Cu4 I4 N4 O4 S2 -","- C124 H144 Cl8 Cu16 I16 N16 O16 S8 -","4","0.5","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0568","0.0454","","","0.1191","0.128","","","","","","1.094","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516497","18.5914","0.0003","10.5881","0.0002","23.0469","0.0004","90","","90","","90","","4536.73","0.14","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C31 H39 Cl3 Cu4 I4 N4 O4 S2 -","- C31 H39 Cl3 Cu4 I4 N4 O4 S2 -","- C124 H156 Cl12 Cu16 I16 N16 O16 S8 -","4","0.5","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0429","0.029","","","0.0539","0.0582","","","","","","1.029","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516498","10.5077","0.0003","23.0532","0.0005","18.4486","0.0004","90","","90.4753","0.001","90","","4468.76","0.19","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 Cu4 I4 N4 O4 S2 -","- C34 H43 Cu4 I4 N4 O4 S2 -","- C136 H172 Cu16 I16 N16 O16 S8 -","4","1","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0719","0.046","","","0.0839","0.0892","","","","","","1.088","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516499","9.0974","0.0002","20.2078","0.0005","22.1236","0.0006","90","","98.234","0.0006","90","","4025.24","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Cu4 I4 N4 O4 S2 -","- C30 H38 Cu4 I4 N4 O4 S2 -","- C120 H152 Cu16 I16 N16 O16 S8 -","4","1","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0198","0.0171","","","0.0368","0.0377","","","","","","1.074","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516500","7.763","0.001","5.0161","0.0006","8.7526","0.0011","90","","115.232","0.003","90","","308.31","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Li2 O4 -","- C6 H4 Li2 O4 -","- C12 H8 Li4 O8 -","2","0.5","","Kole, Goutam Kumar; Chanthapally, Anjana; Tan, Geok Kheng; Vittal, Jagadese J.","Solid State Packing and Photoreactivity of Alkali Metal Salts oftrans,trans-Muconate","Crystal Growth & Design","2015","15","11","5555","","10.1021/acs.cgd.5b01213","","","0.71073","MoKα","","0.0439","0.0392","","","0.1045","0.1094","","","","","","1.068","","","","has coordinates","231346","2020-10-21","18:00:00",""
"4516501","10.765","0.002","3.9739","0.0007","11.261","0.002","90","","117.978","0.002","90","","425.43","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 K2 O4 -","- C6 H4 K2 O4 -","- C12 H8 K4 O8 -","2","0.5","","Kole, Goutam Kumar; Chanthapally, Anjana; Tan, Geok Kheng; Vittal, Jagadese J.","Solid State Packing and Photoreactivity of Alkali Metal Salts oftrans,trans-Muconate","Crystal Growth & Design","2015","15","11","5555","","10.1021/acs.cgd.5b01213","","","0.71073","MoKα","","0.0382","0.0372","","","0.1183","0.1205","","","","","","1.096","","","","has coordinates","231347","2020-10-21","18:00:00",""
"4516502","13.801","0.005","7.407","0.003","14.537","0.006","90","","97.369","0.006","90","","1473.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0509","0.0422","","","0.1053","0.111","","","","","","1.038","","","","has coordinates,has disorder","231348","2020-10-21","18:00:00",""
"4516503","8.197","0.003","6.208","0.002","26.752","0.009","90","","92.374","0.004","90","","1360.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0612","0.0437","","","0.0939","0.1026","","","","","","1.055","","","","has coordinates","231348","2020-10-21","18:00:00",""
"4516504","8.6605","0.0018","8.2623","0.0017","36.966","0.008","90","","90","","90","","2645.1","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.1015","0.0592","","","0.1305","0.1475","","","","","","1.051","","","","has coordinates","231348","2020-10-21","18:00:00",""
"4516505","13.882","0.002","7.4417","0.0013","15.134","0.003","90","","96.588","0.002","90","","1553.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate dioxane solvate'","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0599","0.0485","","","0.1234","0.1312","","","","","","1.045","","","","has coordinates","231348","2020-10-21","18:00:00",""
"4516506","13.87","0.004","7.451","0.002","15.204","0.004","90","","96.399","0.004","90","","1561.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate benzene solvate'","","- C19 H16 N O4 -","- C19 H16 N O4 -","- C76 H64 N4 O16 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.1196","0.0617","","","0.1418","0.1678","","","","","","1.037","","","","has coordinates","231348","2020-10-21","18:00:00",""
"4516507","13.935","0.001","7.41","0.0005","14.532","0.0011","90","","97.066","0.001","90","","1489.15","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate Methanol solvate'","","- C16.25 H14.25 N O4.25 -","- C16.25 H14.25 N O4.25 -","- C65 H57 N4 O17 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0581","0.0465","","","0.1231","0.1311","","","","","","1.045","","","","has coordinates,has disorder","231348","2020-10-21","18:00:00",""
"4516508","5.39","0.003","8.68","0.004","25.258","0.012","90","","95.143","0.007","90","","1176.9","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(4-benzylpyridinium) carboxy-propynoate","","- C14 H12 N O2 -","- C14 H12 N O2 -","- C56 H48 N4 O8 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0671","0.0444","","","0.1082","0.1199","","","","","","1.036","","","","has coordinates,has disorder","231348","2020-10-21","18:00:00",""
"4516509","25.981","0.005","6.5254","0.0013","21.043","0.004","90","","107.372","0.003","90","","3404.8","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cl N3 O5 S -","- C17 H15 Cl N3 O5 S -","- C136 H120 Cl8 N24 O40 S8 -","8","1","","Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.","Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism","Crystal Growth & Design","2015","15","12","5858","","10.1021/acs.cgd.5b01240","","","0.71073","MoKα","","0.0382","0.0339","","","0.0746","0.0763","","","","","","1.159","","","","has coordinates","231349","2020-10-21","18:00:00",""
"4516510","11.4746","0.0002","9.663","0.0002","16.1003","0.0003","90","","101.215","0.001","90","","1751.1","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl N3 O5 S -","- C17 H15 Cl N3 O5 S -","- C68 H60 Cl4 N12 O20 S4 -","4","1","","Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.","Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism","Crystal Growth & Design","2015","15","12","5858","","10.1021/acs.cgd.5b01240","","","0.71073","MoKα","","0.0319","0.0303","","","0.077","0.0786","","","","","","1.059","","","","has coordinates","231349","2020-10-21","18:00:00",""
"4516511","10.2035","0.0002","14.0538","0.0003","15.1873","0.0003","107.16","0.001","107.305","0.001","91.432","0.001","1971.46","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Cl2 N7 O10 S2 -","- C39 H34 Cl2 N7 O10 S2 -","- C78 H68 Cl4 N14 O20 S4 -","2","1","","Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.","Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism","Crystal Growth & Design","2015","15","12","5858","","10.1021/acs.cgd.5b01240","","","0.71073","MoKα","","0.0557","0.0475","","","0.0667","0.0673","","","","","","2.563","","","","has coordinates,has disorder","231349","2020-10-21","18:00:00",""
"4516512","8.5913","0.0002","12.9773","0.0003","17.6723","0.0004","84.436","0.001","84.939","0.001","75.455","0.001","1894.01","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Cl N4 O5 S -","- C17 H17 Cl N4 O5 S -","- C68 H68 Cl4 N16 O20 S4 -","4","2","","Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.","Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism","Crystal Growth & Design","2015","15","12","5858","","10.1021/acs.cgd.5b01240","","","0.71073","MoKα","","0.0499","0.0419","","","0.084","0.0871","","","","","","1.117","","","","has coordinates","231349","2020-10-21","18:00:00",""
"4516513","6.6411","0.0002","6.9162","0.0002","9.0495","0.0002","90","","94.697","0.001","90","","414.26","0.02","80","2","80","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-malic acid urea addition compound","'(S)-(-)-hydroxysuccinic acid urea addition compound'","","- C5 H10 N2 O6 -","- C5 H10 N2 O6 -","- C10 H20 N4 O12 -","2","1","","Krawczuk, Anna; Gryl, Marlena; Pitak, Mateusz B.; Stadnicka, Katarzyna","Electron Density Distribution of Urea in Co-crystals with Rigid and Flexible Dicarboxylic Acids","Crystal Growth & Design","2015","15","11","5578","","10.1021/acs.cgd.5b01253","","","0.71073","MoKα","","0.021","0.019","","","","0.025","","","","","","1.904","","","","has coordinates","231350","2020-10-21","18:00:00",""
"4516514","5.0451","0.0001","12.3754","0.0002","6.8563","0.0001","90","","96.289","0.001","90","","425.498","0.013","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxalic acid urea addition compound","'ethanedioic acid urea addition compound'","","- C4 H10 N4 O6 -","- C4 H10 N4 O6 -","- C8 H20 N8 O12 -","2","0.5","","Krawczuk, Anna; Gryl, Marlena; Pitak, Mateusz B.; Stadnicka, Katarzyna","Electron Density Distribution of Urea in Co-crystals with Rigid and Flexible Dicarboxylic Acids","Crystal Growth & Design","2015","15","11","5578","","10.1021/acs.cgd.5b01253","","","0.71073","MoKα","","0.036","0.024","","","","0.02","","","","","","1.217","","","","has coordinates","231351","2020-10-21","18:00:00",""
"4516515","6.3949","0.0002","6.3949","0.0002","57.5399","0.0018","90","","90","","90","","2353.08","0.13","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H14 F10 N2 O3 -","- C26 H14 F10 N2 O3 -","- C104 H56 F40 N8 O12 -","4","0.5","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0477","0.043","","","0.1057","0.1078","","","","","","1.135","","","","has coordinates,has disorder","231352","2020-10-21","18:00:00",""
"4516516","5.766","0.0012","9.081","0.0018","10.927","0.002","70.74","0.03","85.15","0.03","81.57","0.03","533.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H6 F5 N -","- C13 H6 F5 N -","- C26 H12 F10 N2 -","2","1","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0636","0.0446","","","0.1162","0.1286","","","","","","1.024","","","","has coordinates","231353","2020-10-21","18:00:00",""
"4516517","16.6858","0.0006","4.7557","0.0002","17.1322","0.0006","90","","90.634","0.002","90","","1359.4","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 F8 I2 N2 O5 -","- C26 H18 F8 I2 N2 O5 -","- C52 H36 F16 I4 N4 O10 -","2","0.5","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0296","0.0231","","","0.0584","0.0627","","","","","","1.04","","","","has coordinates,has disorder","231354","2020-10-21","18:00:00",""
"4516518","9.199","0.0018","10.765","0.002","11.907","0.002","90","","108.31","0.03","90","","1119.4","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cl F4 N -","- C13 H6 Cl F4 N -","- C52 H24 Cl4 F16 N4 -","4","1","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0488","0.0367","","","0.0979","0.1066","","","","","","1.007","","","","has coordinates","231355","2020-10-21","18:00:00",""
"4516519","10.0782","0.0003","12.6478","0.0004","9.6673","0.0003","90","","108.784","0.001","90","","1166.63","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cl F4 N O -","- C13 H6 Cl F4 N O -","- C52 H24 Cl4 F16 N4 O4 -","4","1","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0424","0.0325","","","0.0885","0.0948","","","","","","1.032","","","","has coordinates","231356","2020-10-21","18:00:00",""
"4516520","25.4609","0.001","7.0954","0.0003","15.6162","0.0008","90","","117.609","0.003","90","","2499.9","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 Br F4 N O1.5 -","- C13 H7 Br F4 N O1.5 -","- C104 H56 Br8 F32 N8 O12 -","8","1","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0296","0.0241","","","0.06","0.062","","","","","","1.043","","","","has coordinates","231357","2020-10-21","18:00:00",""
"4516521","10.4825","0.0014","18.658","0.002","10.1195","0.0013","90","","95.977","0.002","90","","1968.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 I3 N6 O4 -","- C10 H19 I3 N6 O4 -","- C40 H76 I12 N24 O16 -","4","1","","Vellé, Alba; Cebollada, Andrea; Ruiz, Silvia; Fonseca Guerra, Célia; Sanz Miguel, Pablo J.","Crystallographic and Computational Study on Cationic Triply Hydrogen-Bonded Nucleobases without Direct Anionic Stabilization","Crystal Growth & Design","2015","15","12","5873","","10.1021/acs.cgd.5b01272","","","0.71073","MoKα","","0.0558","0.0376","","","0.0932","0.1043","","","","","","0.981","","","","has coordinates","231358","2020-10-21","18:00:00",""
"4516531","9.06021","0.00018","11.41494","0.00018","10.5969","0.0002","90","","100.271","0.0018","90","","1078.39","0.03","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","methanesulfonamide: 18-crown-6","","- C14 H34 N2 O10 S2 -","- C14 H34 N2 O10 S2 -","- C28 H68 N4 O20 S4 -","2","0.5","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","","0.71073","MoKα","","0.0297","0.0274","","","0.071","0.0734","","","","","","1.0508","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516532","17.5382","0.0003","8.96058","0.00015","19.9529","0.0003","90","","101.259","0.0014","90","","3075.3","0.09","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","p-toluenesulfonamide 18-crown-6 complex","","- C26 H42 N2 O10 S2 -","- C26 H42 N2 O10 S2 -","- C104 H168 N8 O40 S8 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","","0.71073","MoKα","","0.0382","0.0342","","","0.0881","0.0907","","","","","","1.055","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516533","8.3069","0.0005","16.5244","0.0008","15.5695","0.0007","90","","95.397","0.005","90","","2127.7","0.19","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","18-crown-6: benzene sulfonamide 1:1 cocrystal","","- C18 H31 N O8 S -","- C18 H31 N O8 S -","- C72 H124 N4 O32 S4 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","","0.71073","MoKα","","0.0993","0.0584","","","0.1002","0.1167","","","","","","1.017","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516534","9.5021","0.0003","14.5233","0.0005","9.8682","0.0003","90","","94.627","0.003","90","","1357.39","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N O5 S -","- C12 H19 N O5 S -","- C48 H76 N4 O20 S4 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","x-ray","0.71073","MoKα","","0.0768","0.0491","","","0.1001","0.111","","","","","","1.035","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516535","16.4214","0.0005","9.4791","0.0003","19.097","0.0005","90","","105.823","0.003","90","","2860","0.15","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N2 O10 S2 -","- C24 H38 N2 O10 S2 -","- C96 H152 N8 O40 S8 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","","0.71073","MoKα","","0.0615","0.0419","","","0.0929","0.1066","","","","","","1.039","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516536","11.8953","0.0009","13.1283","0.001","22.3913","0.0018","77.037","0.005","89.771","0.004","69.057","0.004","3171.3","0.4","299","2","299","2","","","","","","","","6","P -1","-P 1","2","Cu complex","","","- C61 H44 Cu2 N6 O12 P4 -","- C61 H44 Cu2 N6 O12 P4 -","- C122 H88 Cu4 N12 O24 P8 -","2","1","","Bulut, Aysun; Zorlu, Yunus; Kirpi, Erdoğan; Çetinkaya, Ahmet; Wörle, Michael; Beckmann, Jens; Yücesan, Gündoğ","Synthesis of Cu(II)-Organophosphonate Framework with Predefined Void Spaces","Crystal Growth & Design","2015","15","12","5665","","10.1021/acs.cgd.5b01319","","","0.71073","MoKα","","0.0742","0.051","","","0.1351","0.1439","","","","","","1.102","","","","has coordinates","231369","2020-10-21","18:00:00",""
"4516537","14.1943","0.0009","23.6474","0.0014","25.3309","0.0015","90","","105.595","0.001","90","","8189.5","0.9","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76.5 Cu2 N6 O29.25 P8 -","- C80 H76.5 Cu2 N6 O29.25 P8 -","- C320 H306 Cu8 N24 O117 P32 -","4","1","","Bulut, Aysun; Zorlu, Yunus; Kirpi, Erdoğan; Çetinkaya, Ahmet; Wörle, Michael; Beckmann, Jens; Yücesan, Gündoğ","Synthesis of Cu(II)-Organophosphonate Framework with Predefined Void Spaces","Crystal Growth & Design","2015","15","12","5665","","10.1021/acs.cgd.5b01319","","x-ray","0.71073","MoKα","","0.0518","0.0404","","","0.1008","0.1072","","","","","","1.038","","","","has coordinates,has disorder","231370","2020-10-21","18:00:00",""
"4516538","7.2698","0.0013","20.125","0.004","18.948","0.003","90","","90","","90","","2772.2","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H27 Cu3 N5 O16 S -","- C21 H17 Cu3 N5 O16 S -","- C84 H68 Cu12 N20 O64 S4 -","4","1","","Banerjee, Kaustuv; Roy, Sandipan; Kotal, Moumita; Biradha, Kumar","Coordination Polymers Containing Tubular, Layered, and Diamondoid Networks: Redox, Luminescence, and Electron Paramagnetic Resonance Activities","Crystal Growth & Design","2015","15","11","5604","","10.1021/acs.cgd.5b01329","","","0.71073","MoKα","","0.1958","0.0662","","","0.1399","0.1799","","","","","","0.815","","","","has coordinates","231371","2020-10-21","18:00:00",""
"4516539","24.083","0.015","7.345","0.004","13.568","0.007","90","","121.785","0.014","90","","2040","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cu N4 O6 -","- C22 H18 Cu N4 O6 -","- C88 H72 Cu4 N16 O24 -","4","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Kotal, Moumita; Biradha, Kumar","Coordination Polymers Containing Tubular, Layered, and Diamondoid Networks: Redox, Luminescence, and Electron Paramagnetic Resonance Activities","Crystal Growth & Design","2015","15","11","5604","","10.1021/acs.cgd.5b01329","","","0.71073","MoKα","","0.0733","0.0581","","","0.1411","0.1492","","","","","","1.679","","","","has coordinates","231371","2020-10-21","18:00:00",""
"4516540","13.129","0.005","19.681","0.007","10.247","0.004","90","","91.348","0.007","90","","2647","1.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N5 O10 -","- C25 H17 Co N5 O10 -","- C100 H68 Co4 N20 O40 -","4","1","","Banerjee, Kaustuv; Roy, Sandipan; Kotal, Moumita; Biradha, Kumar","Coordination Polymers Containing Tubular, Layered, and Diamondoid Networks: Redox, Luminescence, and Electron Paramagnetic Resonance Activities","Crystal Growth & Design","2015","15","11","5604","","10.1021/acs.cgd.5b01329","","","0.71073","MoKα","","0.0892","0.0529","","","0.1382","0.158","","","","","","0.905","","","","has coordinates","231371","2020-10-21","18:00:00",""
"4516541","10.259","0.003","12.726","0.004","12.728","0.006","110.367","0.013","102.914","0.014","108.996","0.009","1362.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N4 O11 -","- C26 H18 Co N4 O11 -","- C52 H36 Co2 N8 O22 -","2","1","","Banerjee, Kaustuv; Roy, Sandipan; Kotal, Moumita; Biradha, Kumar","Coordination Polymers Containing Tubular, Layered, and Diamondoid Networks: Redox, Luminescence, and Electron Paramagnetic Resonance Activities","Crystal Growth & Design","2015","15","11","5604","","10.1021/acs.cgd.5b01329","","","0.71073","MoKα","","0.2898","0.0853","","","0.1199","0.1416","","","","","","0.961","","","","has coordinates","231371","2020-10-21","18:00:00",""
"4516542","15.3023","0.0019","35.513","0.004","12.0386","0.0015","90","","90","","90","","6542.1","1.4","90","","90","","","","","","","","synthesized","5","P n m a","-P 2ac 2n","62","","","","- C30 H38 Br1.5 N O4 -","- C30 H38 Br1.5 N O4 -","- C240 H304 Br12 N8 O32 -","8","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.1054","0.0957","","0.204","0.2004","0.204","","","","","","0.9539","","","","has coordinates,has disorder","231372","2020-10-21","18:00:00",""
"4516543","15.3023","0.0019","35.513","0.004","12.0386","0.0015","90","","90","","90","","6542.1","1.4","90","","90","","","","","","","","synthesized","5","P n m a","-P 2ac 2n","62","","","","- C34 H48 Br1.5 N1.5 O4 -","- C34 H48 Br1.5 N1.5 O4 -","- C272 H384 Br12 N12 O32 -","8","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.1537","0.1414","","0.3218","0.3173","0.3218","","","","","","0.969","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516544","15.71","0.004","8.607","0.002","18.326","0.006","90","","110.784","0.005","90","","2316.7","1.1","90","","90","","","","","","","","synthesized","5","C 1 2 1","C 2y","5","","","","- C23 H37 Br N O2 -","- C23 H37 Br N O2 -","- C92 H148 Br4 N4 O8 -","4","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.0397","0.03","","0.0763","0.0686","0.0763","","","","","","0.8908","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516545","12.069","0.0007","12.069","0.0007","10.8286","0.0006","90","","90","","90","","1577.3","0.16","90","","90","","","","","","","","synthesized","3","P 43","P 4cw","78","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.0441","0.0402","","0.109","0.1038","0.109","","","","","","0.9162","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516546","9.696","0.002","31.604","0.008","9.801","0.002","90","","101.57","0.008","90","","2942.3","1.1","90","","90","","","","","","","","synthesized","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H97 N3 O8 -","- C64 H97 N3 O8 -","- C128 H194 N6 O16 -","2","0.5","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","1.54178","CuKα","","0.044","0.0428","","0.1136","0.1108","0.1127","","","","","","1.0285","","","","has coordinates,has disorder","231372","2020-10-21","18:00:00",""
"4516547","8.36","0.003","41.236","0.013","18.139","0.006","90","","90","","90","","6253","4","90","","90","","","","","","","","synthesized","4","P n m a","-P 2ac 2n","62","","","","- C62 H94 N2 O8 -","- C62 H94 N2 O8 -","- C248 H376 N8 O32 -","4","0.5","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.0585","0.0544","","0.1213","0.12","0.1212","","","","","","0.9785","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516548","8.8168","0.0009","8.9397","0.0009","16.8959","0.0016","78.816","0.008","78.074","0.008","68.557","0.009","1202.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 Cl2 Cu3 N10 O3 -","- C17 H20 Cl2 Cu3 N10 O3 -","- C34 H40 Cl4 Cu6 N20 O6 -","2","1","","Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca","Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction","Crystal Growth & Design","2015","15","12","5910","","10.1021/acs.cgd.5b01365","","x-ray","0.71073","MoKα","","0.1046","0.077","","","0.2122","0.2324","","","","","","1.104","","","","has coordinates","270822","2021-11-23","08:36:48",""
"4516549","11.3022","0.0003","13.1824","0.0004","15.4119","0.0004","65.155","0.003","76.631","0.002","88.938","0.002","2019.18","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H17 Cl4 Cu2 O12.5 -","- C8 H12 Cl4 Cu2 O12.5 -","- C32 H48 Cl16 Cu8 O50 -","4","2","","Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca","Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction","Crystal Growth & Design","2015","15","12","5910","","10.1021/acs.cgd.5b01365","","x-ray","0.71073","MoKα","","0.0542","0.0343","","","0.0854","0.0939","","","","","","1.063","","","","has coordinates","231374","2020-10-21","18:00:00",""
"4516550","8.49653","0.00009","16.08972","0.00015","12.88024","0.00014","90","","109.025","0.0012","90","","1664.63","0.03","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl2 Cu4 N8 O12 -","- C22 H30 Cl2 Cu4 N8 O12 -","- C44 H60 Cl4 Cu8 N16 O24 -","2","0.5","","Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca","Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction","Crystal Growth & Design","2015","15","12","5910","","10.1021/acs.cgd.5b01365","","x-ray","0.71073","MoKα","","0.0338","0.0296","","","0.0889","0.0909","","","","","","1.022","","","","has coordinates","231375","2020-10-21","18:00:00",""
"4516551","5.0783","0.0002","7.5176","0.0004","9.9479","0.0004","73.15","0.004","83.485","0.004","77.841","0.004","354.76","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl2 Cu N4 O4 -","- C10 H12 Cl2 Cu N4 O4 -","- C10 H12 Cl2 Cu N4 O4 -","1","0.5","","Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca","Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction","Crystal Growth & Design","2015","15","12","5910","","10.1021/acs.cgd.5b01365","","x-ray","0.71073","MoKα","","0.0314","0.0272","","","0.0635","0.0659","","","","","","1.048","","","","has coordinates","231376","2020-10-21","18:00:00",""
"4516552","15.0506","0.0006","15.0506","0.0006","55.721","0.002","90","","90","","90","","12622","0.8","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C120 H91 La3 N8 O46 -","- C120 H72 La3 N8 O46 -","- C480 H288 La12 N32 O184 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.0635","0.0502","","","0.097","0.1012","","","","","","1.077","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516553","15.0749","0.001","15.0749","0.001","55.646","0.007","90","","90","","90","","12646","2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C120 H91 Ce3 N8 O46 -","- C120 H72 Ce3 N8 O46 -","- C480 H288 Ce12 N32 O184 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0394","0.0368","","","0.0894","0.0905","","","","","","1.093","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516554","14.9573","0.0009","14.9573","0.0009","55.69","0.003","90","","90","","90","","12459","1.3","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 N8 O45 Sm3 -","- C122 H77 N8 O45 Sm3 -","- C488 H308 N32 O180 Sm12 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.034","0.0326","","","0.0717","0.0722","","","","","","1.14","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516555","14.9044","0.001","14.9044","0.001","55.8","0.004","90","","90","","90","","12395.5","1.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Eu3 N8 O45 -","- C122 H85 Eu3 N8 O45 -","- C488 H340 Eu12 N32 O180 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.0316","0.0304","","","0.0657","0.0661","","","","","","1.171","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516556","14.9247","0.0008","14.9247","0.0008","55.654","0.006","90","","90","","90","","12396.7","1.6","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Gd3 N8 O45 -","- C122 H77 Gd3 N8 O45 -","- C488 H308 Gd12 N32 O180 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0439","0.0424","","","0.0938","0.0944","","","","","","1.19","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516557","14.9043","0.0007","14.9043","0.0007","55.841","0.005","90","","90","","90","","12404.4","1.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 N8 O45 Tb3 -","- C122 H77 N8 O45 Tb3 -","- C488 H308 N32 O180 Tb12 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0414","0.0394","","","0.0891","0.0898","","","","","","1.139","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516558","14.9189","0.0005","14.9189","0.0005","55.485","0.004","90","","90","","90","","12349.5","1.1","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Dy3 N8 O45 -","- C122 H77 Dy3 N8 O45 -","- C488 H308 Dy12 N32 O180 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0592","0.0539","","","0.1223","0.1243","","","","","","1.133","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516559","14.8679","0.0016","14.8679","0.0016","55.353","0.006","90","","90","","90","","12236","2","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C120 H89 Ce2.27 N8 O45 Tb0.73 -","- C120 H72 Ce2.27 N8 O45 Tb0.73 -","- C480 H288 Ce9.08 N32 O180 Tb2.92 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.0793","0.0548","","","0.1137","0.122","","","","","","1.052","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516560","14.9095","0.0006","14.9095","0.0006","55.729","0.004","90","","90","","90","","12388.2","1.1","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Gd0.36 N8 O45 Tb2.64 -","- C122 H77 Gd0.36 N8 O45 Tb2.64 -","- C488 H308 Gd1.44 N32 O180 Tb10.56 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.047","0.0378","","","0.0748","0.077","","","","","","1.018","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516561","14.9837","0.0007","14.9837","0.0007","55.753","0.005","90","","90","","90","","12517.2","1.4","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C120 H89 Ce1.41 Gd0.27 N8 O45 Tb1.32 -","- C120 H72 Ce1.41 Gd0.27 N8 O44.999 Tb1.32 -","- C480 H288 Ce5.64 Gd1.08 N32 O179.996 Tb5.28 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0478","0.0411","","","0.0975","0.0998","","","","","","1.068","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516562","10.9665","0.0007","8.1909","0.0004","25.0237","0.0014","90","","91.593","0.005","90","","2246.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 Co0.33 N6 O13 Pb2.67 -","- C18 H8 Co0.33 N6 O13 Pb2.67 -","- C72 H32 Co1.32 N24 O52 Pb10.68 -","4","1","","Wardana, Fendi Y.; Ng, Seik-Weng; Wibowo, Arief C.","The Lead Coordination Polymers Containing Pyrazine-2,3-Dicarboxylic Acid: Rapid Structural Transformations and Cation Exchange","Crystal Growth & Design","2015","15","12","5930","","10.1021/acs.cgd.5b01392","","","0.71073","MoKα","","0.0756","0.0548","","","0.1002","0.1073","","","","","","1.166","","","","has coordinates,has disorder","231378","2020-10-21","18:00:00",""
"4516563","9.2624","0.0009","12.0268","0.0009","13.943","0.0008","90","","90","","90","","1553.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H4 N2 O5 Pb -","- C6 H4 N2 O5 Pb -","- C48 H32 N16 O40 Pb8 -","8","1","","Wardana, Fendi Y.; Ng, Seik-Weng; Wibowo, Arief C.","The Lead Coordination Polymers Containing Pyrazine-2,3-Dicarboxylic Acid: Rapid Structural Transformations and Cation Exchange","Crystal Growth & Design","2015","15","12","5930","","10.1021/acs.cgd.5b01392","","","0.71073","MoKα","","0.0542","0.0351","","","0.0738","0.0847","","","","","","1.036","","","","has coordinates","231379","2020-10-21","18:00:00",""
"4516564","11.5601","0.001","8.4327","0.0007","11.7917","0.001","90","","126.307","0.0008","90","","926.32","0.14","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cl2 N4 O10 Pb2 -","- C12 H10 Cl2 N4 O10 Pb2 -","- C24 H20 Cl4 N8 O20 Pb4 -","2","0.25","","Wardana, Fendi Y.; Ng, Seik-Weng; Wibowo, Arief C.","The Lead Coordination Polymers Containing Pyrazine-2,3-Dicarboxylic Acid: Rapid Structural Transformations and Cation Exchange","Crystal Growth & Design","2015","15","12","5930","","10.1021/acs.cgd.5b01392","","","0.71073","MoKα","","0.0262","0.0256","","","0.0677","0.0679","","","","","","1.107","","","","has coordinates","231380","2020-10-21","18:00:00",""
"4516565","18.4486","0.0011","19.2044","0.0012","31.3758","0.0018","90","","90","","90","","11116.3","1.2","174","2","174","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C33 H37 N2 O8 Zn2 -","- C33 H37 N2 O8 Zn2 -","- C264 H296 N16 O64 Zn16 -","8","1","","Nguyen, Edward T.; Zhao, Xiang; Ta, Daniel; Nguyen, Phuong-Lan; Bu, Xianhui","Comparative Study of In Situ and Presynthesized X-Pillar Ligand in Self-Assembly of Homochiral Porous Frameworks","Crystal Growth & Design","2015","15","12","5939","","10.1021/acs.cgd.5b01412","","","0.71073","MoKα","","0.0735","0.0556","","","0.1371","0.144","","","","","","0.984","","","","has coordinates","231381","2020-10-21","18:00:00",""
"4516568","30.469","0.003","3.81","0.0004","11.0387","0.001","90","","99.714","0.009","90","","1263.1","0.2","305","0.1","305","0.1","","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrazine","pyrazine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C48 H48 N24 -","12","3","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.1646","0.1193","","","0.3241","0.3603","","","","","","1.072","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516569","11.263","0.012","3.831","0.002","11.086","0.012","90","","116.93","0.13","90","","426.5","0.8","315","0.1","315","0.1","","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrazine","pyrazine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.2481","0.0643","","","0.0598","0.0957","","","","","","0.904","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516570","11.252","0.003","3.8312","0.0011","11.074","0.004","90","","117.15","0.04","90","","424.8","0.3","310","0.1","310","0.1","","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrazine","pyrazine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0692","0.0436","","","0.0971","0.1089","","","","","","1.045","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516571","11.239","0.004","3.8173","0.0007","11.06","0.003","90","","116.79","0.04","90","","423.6","0.3","305","0.1","305","0.1","","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrazine","pyrazine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0957","0.072","","","0.2095","0.2397","","","","","","1.057","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516572","9.333","0.0019","5.848","0.0012","3.7735","0.0008","90","","90","","90","","205.96","0.07","295","2","295","2","","","620000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0458","0.0346","","","0.0872","0.096","","","","","","1.204","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516573","9.312","0.013","5.835","0.009","3.743","0.006","90","","90","","90","","203.4","0.5","295","2","295","2","","","690000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.1027","0.079","","","0.0818","0.0888","","","","","","1.342","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516574","9.301","0.0019","5.735","0.0011","3.712","0.0007","90","","90","","90","","198","0.07","295","2","295","2","","","860000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0737","0.0619","","","0.0847","0.0883","","","","","","1.332","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516575","9.307","0.009","5.706","0.006","3.623","0.003","90","","90","","90","","192.4","0.3","295","2","295","2","","","1080000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0368","0.0317","","","0.0587","0.0611","","","","","","1.193","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516576","9.313","0.014","5.683","0.013","3.583","0.004","90","","93.1","0.11","90","","189.4","0.6","295","2","295","2","","","1160000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazine","pyrazine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.5","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0765","0.0657","","","0.1024","0.1069","","","","","","1.22","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516577","9.267","0.014","5.516","0.009","3.544","0.004","90","","94.91","0.13","90","","180.5","0.5","295","2","295","2","","","1750000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazine","pyrazine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.5","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0561","0.0396","","","0.0785","0.0836","","","","","","1.299","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516578","9.265","0.011","5.433","0.007","3.479","0.004","90","","96.15","0.14","90","","174.1","0.4","295","2","295","2","","","2390000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazine","pyrazine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.5","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0487","0.0293","","","0.0445","0.0499","","","","","","1.242","","","","has coordinates","231383","2020-10-21","18:00:00",""
"5000136","29.11","","4.93","","12.09","","90","","93.63","","90","","1731.58","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pentachlorophenol","","","- C6 H Cl5 O -","- C6 H Cl5 O -","- C48 H8 Cl40 O8 -","8","1","","Sakurai, T.","A nuclear quadrupole resonance and X-ray study of the crystal structure of pentachlorophenol","Acta Crystallographica","1962","15","11","1164","1173","10.1107/S0365110X62003047","","","","","","","","","","","","","","","","","","","","","has coordinates","187372","2020-10-21","18:00:00",""
"5000203","8.01","","6.82","","10.14","","90","","111.45","","90","","515.56","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C4 H8 O2 -","- C4 O2 -","- C16 O8 -","4","0.5","","Strieter, F. J.; Templeton, D. H.","Crystal structure of butyric acid","Acta Crystallographica","1962","15","12","1240","1244","10.1107/S0365110X6200328X","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000204","4.04","","9.06","","11","","90","","91.25","","90","","402.53","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 O2 -","- C3 H6 O2 -","- C12 H24 O8 -","4","1","","Strieter, F. J.; Templeton, D. H.; Scheuerman, R. F.; Sass, R. L.","The crystal structure of propionic acid","Acta Crystallographica","1962","15","12","1233","1239","10.1107/S0365110X62003278","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000215","4.535","0.002","4.535","0.002","11.814","0.006","90","","90","","120","","210.4","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Cucka, P.; Barrett, C. S.","The Crystal Structure of Bi and of solid solutions of Pb, Sn, Sb and Te in Bi","Acta Crystallographica","1962","15","9","865","872","10.1107/S0365110X62002297","","","","","","0.0278","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"6000110","4.3955","","4.3955","","6.015","","90","","90","","120","","100.65","","","","","","","","","","","","","3","P 63/m m c","","","","","","- Cu Sn Ti -","","","","","","Weitzer, F.; Perring, L.; Shibayanagi, T.; Naka, M.; Schuster, J. C.","Determination of the crystal structure of CuSnTi by full profile Rietveld analysis","Powder Diffraction","2000","15","","91","93","10.1017/S0885715600010897","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000176","9.134","","10.085","","12.691","","73.52","","86.05","","76.43","","1089.72","","","","","","","","","","","","","4","P 1","","","","","","- Cd Mn3 Sn Te4 -","","","","","","Zheng, C.; Wang, R. J.","Synthesis of the one dimensional telluride: [Mn(en)(3)]CdSnTe4(I) and its semiconductor characteristics","Chinese Journal of Inorganic Chemistry","1999","15","","661","666","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000192","10.64","","10.64","","10.64","","90","","90","","90","","1204.55","","","","","","","","","","","","","5","P m -3","","","","","","- H40 K3 Nb4 O62 W3 -","","","","","","Lin, B. F.; Zhu, S. S.; Xie, G. Y.; Chen, J.; Hu, C. H.","Prepare and structure determination of potassium peroxyniobatungstate","Chinese Journal of Inorganic Chemistry","1999","15","","78","82","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000642","3.9381","","22.3796","","11.5626","","90.039","","89.592","","89.945","","1019.02","","","","","","","","","","","","","3","P -1","","","","","","- Cu2 Ge Se3 -","","","","","","Omar, M. S.","A triclinic superlattice structure for the bended sphalerite unit cell of the compound Cu2GeSe3","Arab Gulf Journal of Scientific Research","1998","15","","353","359","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000765","10.63","","3.8014","","4.9347","","90","","100.889","","90","","195.82","","","","","","","","","","","","","2","C 1 2/m 1","","","","","","- Co Ge -","","","","","","Audebrand, N.; Ellner, M.; Mittemeijer, E. J.","Powder diffraction data for the germanides CoGe and Co5Ge7","Powder Diffraction","2000","15","","120","122","10.1017/S0885715600010964","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000766","7.6262","","7.6262","","5.8017","","90","","90","","90","","337.42","","","","","","","","","","","","","2","I 4 m m","","","","","","- Co5 Ge7 -","","","","","","Audebrand, N.; Ellner, M.; Mittemeijer, E. J.","Powder diffraction data for the germanides CoGe and Co5Ge7","Powder Diffraction","2000","15","","120","122","10.1017/S0885715600010964","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000767","10.9564","","10.9564","","16.835","","90","","90","","120","","1750.17","","","","","","","","","","","","","5","R -3","","","","","","- Cr H24 La N6 O30 -","","","","","","Gobichon, A. E.; Auffredic, J. P.; Louer, D.","A temperature-dependent powder diffraction study of chromium lanthanum nitrate, LaCr(NO3)(6).12H(2)O","Powder Diffraction","2000","15","","23","25","10.1017/S0885715600010782","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000768","12.301","","12.301","","12.301","","90","","90","","90","","1861.32","","","","","","","","","","","","","5","P 21 3","","","","","","- Cr H12 La N6 O24 -","","","","","","Gobichon, A. E.; Auffredic, J. P.; Louer, D.","A temperature-dependent powder diffraction study of chromium lanthanum nitrate, LaCr(NO3)(6).12H(2)O","Powder Diffraction","2000","15","","23","25","10.1017/S0885715600010782","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7155325","7.3024","0.0006","8.6519","0.0008","8.9513","0.0006","77.266","0.002","86.338","0.002","88.215","0.002","550.42","0.08","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","","Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent","Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes.","Organic & biomolecular chemistry","2017","15","3","584","588","10.1039/c6ob02122k","","x-ray","0.71073","MoKα","","0.0661","0.0429","","","0.1016","0.1137","","","","","","1.01","","","","has coordinates","191746","2020-10-21","18:00:00",""
"7155326","5.704","0.002","6.297","0.003","18.887","0.009","93.901","0.011","95.455","0.01","106.13","0.01","645.6","0.5","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C28 H44 O6 -","2","1","","Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent","Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes.","Organic & biomolecular chemistry","2017","15","3","584","588","10.1039/c6ob02122k","","","0.71073","MoKα","","0.1448","0.0788","","","0.1943","0.2402","","","","","","0.989","","","","has coordinates","191746","2020-10-21","18:00:00",""
"7155338","32.0131","0.0005","15.5735","0.0002","14.771","0.0004","90","","90","","90","","7364.2","0.2","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C118 H198 N33 O26.4 P3 S5 -","- C118 H198 N33 O26.4 P3 S5 -","- C236 H396 N66 O52.8 P6 S10 -","2","0.5","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.1365","0.1279","","","0.3742","0.3923","","","","","","1.76","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155339","9.3172","0.0002","18.6791","0.0004","29.1423","0.0005","90","","90","","90","","5071.84","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclo[(R)-Lac-1,4-Tri-Epa]3","","","- C40 H57 N15 O8.35 S5 -","- C40 H57 N15 O8.35 S5 -","- C160 H228 N60 O33.4 S20 -","4","1","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.035","0.0327","","","0.0821","0.0843","","","","","","1.033","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155340","9.9835","0.0014","12.2707","0.0016","23.46","0.003","90","","90","","90","","2874","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C124 H144 N8 O24 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1975","0.189","","","0.3905","0.401","","","","","","1.778","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155341","22.0361","0.001","8.9726","0.0004","18.4215","0.0008","90","","98.967","0.003","90","","3597.8","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H44 N2 O7 -","- C39 H44 N2 O7 -","- C156 H176 N8 O28 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1055","0.0977","","","0.2925","0.3097","","","","","","1.334","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155348","19.765","0.001","17.35","0.001","24.003","0.002","90","","90","","90","","8231.2","0.9","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C70 H25 Br O5 -","- C70 H25.5 Br O5 -","- C560 H204 Br8 O40 -","8","1","","Khakina, Ekaterina A.; Kraevaya, Ol'ga A.; Popova, Maria L.; Peregudov, Alexander S.; Troyanov, Sergey I.; Chernyak, Alexander V.; Martynenko, Vyacheslav M.; Kulikov, Alexander V.; Schols, Dominique; Troshin, Pavel A.","Synthesis of different types of alkoxy fullerene derivatives from chlorofullerene C60Cl6.","Organic & biomolecular chemistry","2017","15","4","773","777","10.1039/c6ob02251k","","","0.88561","synchrotron","","0.2131","0.1041","","","0.2425","0.2686","","","","","","1.054","","","","has coordinates,has disorder","191733","2020-10-21","18:00:00",""
"7155360","7.1072","0.0005","13.7421","0.0011","27.891","0.002","90","","90","","90","","2724.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C116 H184 O16 Si4 -","4","1","","Dethe, Dattatraya H.; Dherange, Balu D.; Ali, Saghir; Parsutkar, Mahesh M.","Enantiospecific total syntheses of meroterpenoids (-)-F1839-I and (-)-corallidictyals B and D.","Organic & biomolecular chemistry","2016","15","1","65","68","10.1039/c6ob02322c","","","0.71073","MoKα","","0.0401","0.0345","","","0.0858","0.0937","","","","","","1.112","","","","has coordinates","191756","2020-10-21","18:00:00",""
"7155369","18.6","0.01","9.144","0.006","23.69","0.01","90","","105.818","0.009","90","","3877","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 N5 -","- C44 H39 N5 -","- C176 H156 N20 -","4","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.1993","0.0631","","","0.0975","0.1141","","","","","","1.136","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155370","17.781","0.0008","15.3478","0.0009","6.0728","0.0002","90","","99.114","0.005","90","","1636.34","0.13","294.68","0.1","294.68","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O -","- C21 H22 O -","- C84 H88 O4 -","4","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.1235","0.0705","","","0.1524","0.1875","","","","","","1.075","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155371","7.9273","0.0005","9.3159","0.0006","18.0174","0.0012","94.642","0.0018","93.031","0.0017","114.92","0.0015","1197.16","0.14","100","2","100","","","","","","","","","5","P -1","-P 1","2","(<i>2E</i>)-1-(2-aminophenyl)-3-(4-ethoxyphenyl)-2-propen-1-one","(<i>2E</i>)-1-(2-aminophenyl)-3-(4-ethoxyphenyl)-2-propen-1-one","","- C25 H25 N O7 S -","- C25 H25 N O7 S -","- C50 H50 N2 O14 S2 -","2","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.0579","0.0451","","","0.1295","0.1442","","","","","","1.072","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155372","7.7546","0.0004","12.129","0.0006","9.9209","0.0006","90","","105.288","0.0014","90","","900.1","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cu2 F4 Fe H8 O8 P -","- Cu2 F4 Fe H8 O8 P -","- Cu8 F16 Fe4 H32 O32 P4 -","4","0.5","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","x-ray","0.71073","MoKα","","0.0189","0.0171","","","0.048","0.0489","","","","","","1.034","","","","has coordinates","191753","2020-10-21","18:00:00",""
"7155373","37.005","0.008","11.212","0.002","45.528","0.01","90","","91.208","0.003","90","","18885","7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N3 -","- C32 H23 N3 -","- C1024 H736 N96 -","32","4","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.169","0.0809","","","0.2257","0.3051","","","","","","1.008","","","","has coordinates","191753","2020-10-21","18:00:00",""
"7155374","8.4926","0.0002","7.9538","0.0002","28.9887","0.0007","90","","91.1","0.001","90","","1957.78","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C100 H100 N12 -","4","1","","Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit","Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.","Organic & biomolecular chemistry","2016","15","1","82","87","10.1039/c6ob02340a","","","0.71073","MoKα","","0.0658","0.0426","","","0.1054","0.1207","","","","","","1.019","","","","has coordinates","191752","2020-10-21","18:00:00",""
"7155375","15.8218","0.0007","8.1579","0.0003","16.5439","0.0007","90","","100.532","0.002","90","","2099.39","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N3 -","- C26 H27 N3 -","- C104 H108 N12 -","4","1","","Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit","Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.","Organic & biomolecular chemistry","2016","15","1","82","87","10.1039/c6ob02340a","","","0.71073","MoKα","","0.0779","0.0473","","","0.1199","0.1462","","","","","","1.028","","","","has coordinates","191752","2020-10-21","18:00:00",""
"7155376","7.4821","0.0004","13.9447","0.0009","14.9797","0.0012","90","","90","","90","","1562.92","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Zhang, Zhijiang; Liu, Bo","Total synthesis and confirmation of the revised structures of jiangrines A, C and D.","Organic & biomolecular chemistry","2016","15","1","207","212","10.1039/c6ob02379g","","x-ray","0.71073","MoKα","","0.0786","0.0523","","","0.1052","0.121","","","","","","1.056","","","","has coordinates,has disorder","191754","2020-10-21","18:00:00",""
"7155377","6.89706","0.00006","13.34116","0.00017","9.5759","0.00011","90","","94.1494","0.0009","90","","878.815","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-6-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0353","0.0343","","","0.0908","0.0927","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155378","6.71157","0.00009","12.95291","0.00017","20.1272","0.0002","90","","97.8329","0.0011","90","","1733.42","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-5-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0506","0.0484","","","0.1327","0.1378","","","","","","1.045","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155379","13.6989","0.0005","7.5129","0.0002","15.8965","0.0005","90","","103.187","0.003","90","","1592.9","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-6-((3R,4R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0695","0.0659","","","0.1684","0.1761","","","","","","1.067","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155380","6.3617","0.0003","10.0016","0.0003","20.4847","0.0007","90","","90","","90","","1303.38","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4R,5R)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1572","0.1639","","","","","","1.195","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155381","6.35866","0.00012","9.99503","0.00017","20.4733","0.0003","90","","90","","90","","1301.18","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5S)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0469","0.0433","","","0.1218","0.1282","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155382","6.71457","0.00006","12.74183","0.00011","19.91482","0.00019","90","","98.6786","0.0009","90","","1684.32","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-5-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0435","0.0411","","","0.1214","0.1225","","","","","","1.129","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155383","13.67692","0.00013","7.47473","0.00008","15.84227","0.00018","90","","103.335","0.001","90","","1575.91","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-6-((3S,4S,5S)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0504","0.0492","","","0.1308","0.1328","","","","","","1.027","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155384","6.89663","0.00007","13.34364","0.00017","9.58347","0.00009","90","","94.1421","0.0009","90","","879.626","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-6-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0473","0.0464","","","0.1191","0.1208","","","","","","1.057","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155385","16.5936","0.0003","16.0072","0.0003","12.75162","0.00019","90","","90","","90","","3387.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5S,6S,7S)-5,7-bis((tert-butyldimethylsilyl)oxy)-4,4,6,8-tetramethylnon-1-en-3-yl acrylate","","- C28.15 H54.38 O4 Si2 -","- C28 H54 O4 Si2 -","- C112 H216 O16 Si8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.1042","0.0885","","","0.255","0.2637","","","","","","1.101","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155386","8.8528","0.0007","10.3504","0.0008","14.1556","0.0011","91.588","0.005","107.369","0.004","115.303","0.013","1100.9","0.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H23 F3 O4 -","- C22 H23 F3 O4 -","- C44 H46 F6 O8 -","2","1","","Becerra-Figueroa, Liliana; Brun, Elodie; Mathieson, Michael; Farrugia, Louis J.; Wilson, Claire; Prunet, Joëlle; Gamba-Sánchez, Diego","Diastereoselective synthesis of trifluoromethylated 1,3-dioxanes by intramolecular oxa-Michael reaction.","Organic & biomolecular chemistry","2017","15","2","301","305","10.1039/c6ob02333a","","x-ray","0.71073","MoKα","","0.0511","0.0415","","","0.1157","0.1211","","","","","","1.07","","","","has coordinates","191725","2020-10-21","18:00:00",""
"7155387","8.898","0.003","26.042","0.007","9.427","0.002","90","","91.704","0.006","90","","2183.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F3 N O5 -","- C23 H24 F3 N O5 -","- C92 H96 F12 N4 O20 -","4","1","","Becerra-Figueroa, Liliana; Brun, Elodie; Mathieson, Michael; Farrugia, Louis J.; Wilson, Claire; Prunet, Joëlle; Gamba-Sánchez, Diego","Diastereoselective synthesis of trifluoromethylated 1,3-dioxanes by intramolecular oxa-Michael reaction.","Organic & biomolecular chemistry","2017","15","2","301","305","10.1039/c6ob02333a","","","0.71073","MoKα","","0.1229","0.078","","","0.1768","0.1978","","","","","","1.036","","","","has coordinates","191725","2020-10-21","18:00:00",""
"7155388","7.9939","0.0005","8.0488","0.0004","22.5543","0.0013","96.579","0.002","96.368","0.002","90.008","0.002","1432.6","0.14","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H13 Br F N O2 -","- C16 H13 Br F N O2 -","- C64 H52 Br4 F4 N4 O8 -","4","4","","Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Pan, Yi","Catalytic asymmetric aldol addition reactions of 3-fluoro-indolinone derived enolates.","Organic & biomolecular chemistry","2017","15","2","311","315","10.1039/c6ob02454h","","","0.71073","MoKα","","0.0448","0.0365","","","0.0778","0.0809","","","","","","1.029","","","","has coordinates","191724","2020-10-21","18:00:00",""
"7155389","6.5505","0.0003","8.7111","0.0004","9.9103","0.0005","82.5366","0.0018","73.6985","0.0014","76.9181","0.0018","527.35","0.04","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","1","1","","Sengoku, Tetsuya; Kokubo, Kana; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Indium-catalysed amide allylation of α-iminoamide: highly enantioselective synthesis of amide functionalised α-methylene-γ-butyrolactams.","Organic & biomolecular chemistry","2017","15","2","320","323","10.1039/c6ob02506d","","","1.54178","","","0.0298","0.0297","","","0.0766","0.0768","","","","","","1.031","","","","has coordinates","191722","2020-10-21","18:00:00",""
"7155390","10.8152","0.0005","8.5569","0.0003","20.0431","0.0009","90","","95.275","0.004","90","","1847.02","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 O P S -","- C22 H17 O P S -","- C88 H68 O4 P4 S4 -","4","1","","Wang, Dungai; Zhao, Jinlong; Xu, Weigang; Shao, Changwei; Shi, Zheng; Li, Liang; Zhang, Xinghua","Metal- and base-free reductive coupling reaction of P(O)-H with aryl/alkyl sulfonyl chlorides: a novel protocol for the construction of P-S-C bonds.","Organic & biomolecular chemistry","2017","15","3","545","549","10.1039/c6ob02364a","","","0.71073","MoKα","","0.0567","0.0418","","","0.1294","0.145","","","","","","1.008","","","","has coordinates","191738","2020-10-21","18:00:00",""
"7155391","7.5252","0.0007","24.2334","0.0017","15.7891","0.0016","90","","90.167","0.004","90","","2879.3","0.4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C43 H9 F19 N4 O3 -","- C43 H9 F19 N4 O3 -","- C86 H18 F38 N8 O6 -","2","0.25","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.1481","0.1288","","","0.3683","0.3961","","","","","","1.477","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"7155392","13.7073","0.0006","13.9417","0.0006","41.647","0.002","90","","90.131","0.0016","90","","7958.8","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H30 F38 N8 O4 -","- C94 H30 F38 N8 O4 -","- C376 H120 F152 N32 O16 -","4","0.5","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.0648","0.0581","","","0.1565","0.1602","","","","","","1.075","","","","has coordinates","191726","2020-10-21","18:00:00",""
"7155393","15.894","0.001","16.7789","0.001","18.4175","0.0011","79.362","0.002","69.996","0.002","65.955","0.002","4209","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.79 H12.84 Cl1.3 F19 N4 O2 S1.14 -","- C45.786 H12.842 Cl1.302 F19 N4 O2 S1.135 -","- C183.144 H51.368 Cl5.208 F76 N16 O8 S4.54 -","4","2","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.0466","0.0395","","","0.096","0.1018","","","","","","1.027","","","","has coordinates,has disorder","191726","2020-10-21","18:00:00",""
"7155394","6.1225","0.0006","16.4269","0.0015","15.5669","0.0014","90","","93.055","0.003","90","","1563.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Xia, Chengcai; Wang, Kai; Xu, Jun; Shen, Chao; Sun, Di; Li, Hongshuang; Wang, Guodong; Zhang, Pengfei","Selective remote esterification of 8-aminoquinoline amides via copper(ii)-catalyzed C(sp(2))-O cross-coupling reaction.","Organic & biomolecular chemistry","2017","15","3","531","535","10.1039/c6ob02375d","","","0.71073","MoKα","","0.0636","0.0455","","","0.1248","0.139","","","","","","1.027","","","","has coordinates","191743","2020-10-21","18:00:00",""
"7155395","10.6177","0.0006","12.3153","0.0007","22.9275","0.0013","90","","91.573","0.004","90","","2996.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H80 O12 Si2 -","- C60 H80 O12 Si2 -","- C120 H160 O24 Si4 -","2","1","","Bandara, Mithila D.; Yasomanee, Jagodige P.; Rath, Nigam P.; Pedersen, Christian M.; Bols, Mikael; Demchenko, Alexei V.","Conformationally superarmed S-ethyl glycosyl donors as effective building blocks for chemoselective oligosaccharide synthesis in one pot.","Organic & biomolecular chemistry","2017","15","3","559","563","10.1039/c6ob02498j","","","0.71073","MoKα","","0.1417","0.0616","","","0.1338","0.1714","","","","","","1.017","","","","has coordinates,has disorder","191745","2020-10-21","18:00:00",""
"7155396","9.6767","0.0004","13.4665","0.0005","25.2462","0.0007","90","","100.061","0.003","90","","3239.3","0.2","110.02","0.13","110.02","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N6 O8 -","- C28 H42 N6 O8 -","- C112 H168 N24 O32 -","4","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0904","0.0618","","","0.1284","0.1448","","","","","","1.095","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155397","17.7469","0.0006","8.5054","0.0003","28.7562","0.001","90","","90","","90","","4340.6","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H28 N6 O6 -","- C19 H28 N6 O6 -","- C152 H224 N48 O48 -","8","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0652","0.053","","","0.1498","0.1607","","","","","","1.061","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155398","12.7749","0.0011","10.4901","0.001","9.508","0.0013","90","","90","","90","","1274.2","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0511","0.0393","","","0.0869","0.0945","","","","","","1.064","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155399","13.21","0.0006","14.3452","0.0006","14.9727","0.001","96.394","0.004","116.168","0.003","107.161","0.003","2334.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H58 Cl2 N6 O11 -","- C43 H58 Cl2 N6 O11 -","- C86 H116 Cl4 N12 O22 -","2","1","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.0896","0.0649","","","0.1879","0.2116","","","","","","1.047","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155400","13.2663","0.0006","14.226","0.0007","15.0088","0.0007","68.446","0.003","63.857","0.003","73.509","0.003","2339.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H58 Cl2 N6 O11 -","- C43 H58 Cl2 N6 O11 -","- C86 H116 Cl4 N12 O22 -","2","2","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.0652","0.0593","","","0.1638","0.172","","","","","","1.049","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155401","12.8657","0.0004","14.2553","0.0004","14.8313","0.0004","95.487","0.002","114.669","0.002","107.436","0.002","2280.62","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cl2 N6 O11 -","- C42 H56 Cl2 N6 O11 -","- C84 H112 Cl4 N12 O22 -","2","1","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.063","0.0577","","","0.1616","0.1671","","","","","","1.028","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155402","10.8402","0.0018","10.9776","0.0018","11.4168","0.0019","90","","90","","90","","1358.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Wu, Hongxiang; Liu, Tingting; Cui, Ming; Li, Yue; Jian, Junsheng; Wang, Hui; Zeng, Zhuo","Rhodium-catalyzed C-H functionalization with N-acylsaccharins.","Organic & biomolecular chemistry","2017","15","3","536","540","10.1039/c6ob02526a","","","0.71073","MoKα","","0.0388","0.036","","","0.0868","0.0888","","","","","","1.071","","","","has coordinates","191735","2020-10-21","18:00:00",""
"7155403","13.5987","0.0002","7.2344","0.0001","13.7418","0.0002","90","","90","","90","","1351.9","0.03","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H10 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C64 H40 Cl8 N8 O8 -","4","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0287","0.0274","","0.0768","0.0748","0.0761","","","","","","1.0054","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155404","9.6458","0.0002","14.7532","0.0002","11.0237","0.0002","90","","109.373","0.0018","90","","1479.92","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0406","0.0382","","0.0984","0.0962","0.0984","","","","","","0.9881","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155405","7.3292","0.0001","19.7192","0.0003","10.6272","0.0002","90","","97.9329","0.0017","90","","1521.21","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0557","0.0538","","0.1376","0.1358","0.1376","","","","","","0.9886","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155406","12.2306","0.0007","13.6348","0.0008","8.4844","0.0005","90","","93.658","0.001","90","","1411.99","0.14","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F2 N2 -","- C18 H18 F2 N2 -","- C72 H72 F8 N8 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","0.71073","MoKα","","0.0447","0.0406","","","0.1138","0.1174","","","","","","1.033","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155407","7.3791","0.0001","12.5501","0.0002","7.4981","0.0001","90","","90","","90","","694.387","0.017","150","","150","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0253","0.0252","","0.0692","0.0691","0.0692","","","","","","1.0136","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155408","11.0208","0.0008","5.0952","0.0004","14.7276","0.0011","90","","103.403","0.006","90","","804.48","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H17 Cl F6 N2 O6 -","- C10 H17 Cl F6 N2 O6 -","- C20 H34 Cl2 F12 N4 O12 -","2","1","","Kondratov, Ivan S.; Logvinenko, Ivan G.; Tolmachova, Nataliya A.; Morev, Roman N.; Kliachyna, Maria A.; Clausen, Florian; Daniliuc, Constantin G.; Haufe, Günter","Synthesis and physical chemical properties of 2-amino-4-(trifluoromethoxy)butanoic acid - a CF3O-containing analogue of natural lipophilic amino acids.","Organic & biomolecular chemistry","2017","15","3","672","679","10.1039/c6ob02436j","","","1.54178","CuKα","","0.1253","0.0918","","","0.1578","0.169","","","","","","1.191","","","","has coordinates","191741","2020-10-21","18:00:00",""
"7155409","7.6236","0.0002","6.9169","0.0002","26.9337","0.0007","90","","95.617","0.001","90","","1413.44","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0442","0.0406","","","0.1393","0.1449","","","","","","1.137","","","","has coordinates","191747","2020-10-21","18:00:00",""
"7155410","7.5076","0.0006","7.9269","0.0006","13.2339","0.001","94.761","0.004","94.576","0.004","98.12","0.004","773.64","0.1","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","2","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0336","0.0303","","","0.0951","0.0989","","","","","","0.763","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155411","4.3644","0.0003","15.4436","0.001","7.821","0.0006","90","","99.674","0.005","90","","519.66","0.06","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H8 Br2 -","- C11 H8 Br2 -","- C22 H16 Br4 -","2","1","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0451","0.0419","","","0.1405","0.1476","","","","","","0.671","","","","has coordinates","191747","2020-10-21","18:00:00",""
"7155412","7.0321","0.00018","8.4501","0.0002","40.7561","0.0011","90","","90","","90","","2421.81","0.11","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl octahydroindole-2-carboxylic acid methyl ester","methyl (2S,3aS,7aS)-1-acetyloctahydro-1H-indole-2-carboxylate","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C96 H152 N8 O24 -","8","2","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0344","0.0333","","","0.0831","0.084","","","","","","1.083","","","","has coordinates","191740","2020-10-21","18:00:00",""
"7155413","23.5858","0.0012","19.6801","0.0008","15.1629","0.0011","90","","90","","90","","7038.2","0.7","150","2","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-para-Bromobenzoyl hexa-octahydroindole-2-carboxylic acid amide","","- C61 H81 Br N7 O7 -","- C61 H81 Br N7 O7 -","- C244 H324 Br4 N28 O28 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0995","0.0702","","","0.1624","0.186","","","","","","0.986","","","","has coordinates,has disorder","191740","2020-10-21","18:00:00",""
"7155414","6.2188","0.0009","9.282","0.0013","25.561","0.004","90","","90","","90","","1475.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Si, Chang-Mei; Shao, Lu-Ping; Mao, Zhuo-Ya; Zhou, Wen; Wei, Bang-Guo","An efficient approach to trans-4-hydroxy-5-substituted 2-pyrrolidinones through a stereoselective tandem Barbier process: divergent syntheses of (3R,4S)-statines, (+)-preussin and (-)-hapalosin.","Organic & biomolecular chemistry","2017","15","3","649","661","10.1039/c6ob02523d","","","0.71073","MoKα","","0.0519","0.044","","","0.1025","0.1062","","","","","","1.034","","","","has coordinates","191744","2020-10-21","18:00:00",""
"7155415","15.968","0.002","9.5866","0.0012","26.313","0.003","90","","104.893","0.002","90","","3892.7","0.8","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Br2 N4 O -","- C20 H18 Br2 N4 O -","- C160 H144 Br16 N32 O8 -","8","1","","Sun, Yuan-Ming; Yu, Liu-Zhu; Zhu, Zi-Zhong; Hu, Xu-Bo; Gao, Yu-Ning; Shi, Min","Electronic halocyclization and radical haloazidation of benzene-linked 1,7-dienes for the synthesis of functionalized 3,1-benzoxazines.","Organic & biomolecular chemistry","2017","15","3","634","639","10.1039/c6ob02566h","","","0.71073","MoKα","","0.0663","0.04","","","0.089","0.0974","","","","","","1.024","","","","has coordinates","191736","2020-10-21","18:00:00",""
"7155416","14.7029","0.0005","5.8234","0.0002","22.2875","0.0007","90","","109.218","0.0017","90","","1801.93","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Zinc-catalyzed chemoselective alkylation of α-keto amides with 2-alkylazaarenes.","Organic & biomolecular chemistry","2017","15","3","691","700","10.1039/c6ob02432g","","","0.71073","MoKα","","0.0547","0.0364","","","0.0872","0.1006","","","","","","1.029","","","","has coordinates","191737","2020-10-21","18:00:00",""
"7155417","10.6354","0.0007","10.7608","0.0007","11.0786","0.0007","66.546","0.003","66.529","0.002","84.182","0.003","1064.44","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Zinc-catalyzed chemoselective alkylation of α-keto amides with 2-alkylazaarenes.","Organic & biomolecular chemistry","2017","15","3","691","700","10.1039/c6ob02432g","","","0.71073","MoKα","","0.0554","0.0418","","","0.1052","0.116","","","","","","1.031","","","","has coordinates","191737","2020-10-21","18:00:00",""
"7155418","15.7235","0.0004","7.2386","0.0002","25.4616","0.0007","90","","96.401","0.003","90","","2879.87","0.14","100.01","0.1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline","","- C19 H10 F3 N3 -","- C19 H10 F3 N3 -","- C152 H80 F24 N24 -","8","2","","Borges da Silva, Ramon; Teixeira, Rodolfo Inêz; Wardell, James L.; Wardell, Solange M. S. V.; Garden, Simon J.","Copper(ii) catalyzed synthesis of novel helical luminescent benzo[4,5]imidazo[1,2-a][1,10]phenanthrolines via an intramolecular C-H amination reaction.","Organic & biomolecular chemistry","2017","15","4","812","826","10.1039/c6ob02508k","","","0.71073","MoKα","","0.0738","0.0532","","","0.1128","0.1223","","","","","","1.062","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155419","4.7845","0.0014","7.017","0.002","21.72","0.006","90","","92.133","0.004","90","","728.7","0.4","150","","150.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(1-methyl-1H-indol-3-yl)-2-(4-nitrophenyl)acetamide","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C34 H30 N6 O6 -","2","1","","Reekie, Tristan A.; Wilkinson, Shane M.; Law, Vivian; Hibbs, David E.; Ong, Jennifer A.; Kassiou, Michael","Rapid access to N-(indol-2-yl)amides and N-(indol-3-yl)amides as unexplored pharmacophores.","Organic & biomolecular chemistry","2017","15","3","576","580","10.1039/c6ob02622b","","","0.71073","","","0.065","0.0395","","","0.0674","0.0754","","","","","","1.041","","","","has coordinates","191742","2020-10-21","18:00:00",""
"7155420","7.8745","0.0017","19.699","0.004","21.755","0.005","90","","90","","90","","3374.6","1.3","293","2","293","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C160 H128 Cl8 N8 O16 -","8","1","","Chauhan, Parul; Ravi, Makthala; Kant, Ruchir; Yadav, Prem P.","Oxidative coupling of 1-(2-methyl-4-phenylquinolin-3-yl)ethanone with ethanol and unexpected deacetylative synthesis of 3-hydroxy quinoline.","Organic & biomolecular chemistry","2017","15","5","1080","1085","10.1039/c6ob02336c","","","0.71075","MoKα","","0.0728","0.0469","","","0.107","0.1126","","","","","","0.879","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155421","22.805","0.006","8.174","0.002","24","0.006","90","","90","","90","","4474","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C256 H192 N16 -","8","1","","Inamdar, Suleman M.; Gonnade, Rajesh G.; Patil, Nitin T.","Synthesis of annulated bis-indoles through Au(i)/Brønsted acid-catalyzed reactions of (1H-indol-3-yl)(aryl)methanols with 2-(arylethynyl)-1H-indoles.","Organic & biomolecular chemistry","2017","15","4","863","869","10.1039/c6ob02595a","","","0.71073","MoKα","","0.0886","0.067","","","0.1263","0.1348","","","","","","1.143","","","","has coordinates","191729","2020-10-21","18:00:00",""
"7155422","9.5678","0.0005","12.3013","0.0007","15.5374","0.0009","90","","101.71","0.001","90","","1790.64","0.17","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 I2 N O2 S -","- C15 H19 I2 N O2 S -","- C60 H76 I8 N4 O8 S4 -","4","1","","Wang, Ruijia; OuYang, Yuejun; Xu, Chonghui; Yi, Niannian; Jiang, Jun; Deng, Wei; Zeng, Zebing; Xiang, Jiannan","Hypervalent iodine-triggered transformation of homopropargyl sulfonamides into dihalo-2,3-dihydropyrroles.","Organic & biomolecular chemistry","2017","15","4","796","800","10.1039/c6ob02536f","","","0.71073","MoKα","","0.0257","0.0214","","","0.0511","0.0527","","","","","","1.098","","","","has coordinates","191732","2020-10-21","18:00:00",""
"7155423","14.4101","0.0002","11.66149","0.00018","15.7982","0.0002","90","","105.348","0.0016","90","","2560.1","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 F16 N2 O2 -","- C25 H16 F16 N2 O2 -","- C100 H64 F64 N8 O8 -","4","1","","Emerson-King, Jack; Hauser, Simone A.; Chaplin, Adrian B.","C-F bond activation of perfluorinated arenes by a bioxazoline-derived N-heterocyclic carbene.","Organic & biomolecular chemistry","2017","15","4","787","789","10.1039/c6ob02556k","","x-ray","0.71073","MoKα","","0.0589","0.0447","","","0.1273","0.1414","","","","","","1.035","","","","has coordinates,has disorder","191728","2020-10-21","18:00:00",""
"7155424","10.5528","0.001","18.834","0.0017","8.051","0.0008","90","","110.027","0.002","90","","1503.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 O -","- C20 H13 N3 O -","- C80 H52 N12 O4 -","4","1","","Qiao, Rui; Ye, Leping; Hu, Kun; Yu, Shuling; Yang, Weiguang; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Wu, Huayue","Copper-catalyzed C-O bond cleavage and cyclization: synthesis of indazolo[3,2-b]quinazolinones.","Organic & biomolecular chemistry","2017","15","10","2168","2173","10.1039/c6ob02352e","","","0.71073","MoKα","","0.0389","0.0349","","","0.0969","0.0996","","","","","","1.054","","","","has coordinates","195164","2020-10-21","18:00:00",""
"7155425","9.8525","0.001","11.9699","0.0013","12.0037","0.0013","83.402","0.002","88.727","0.002","75.661","0.002","1362.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Cl N4 O5 -","- C31 H27 Cl N4 O5 -","- C62 H54 Cl2 N8 O10 -","2","1","","Zhu, Yan-Shuo; Wang, Wen-Bo; Yuan, Bei-Bei; Li, Ya-Ning; Wang, Qi-Lin; Bu, Zhan-Wei","A DBU-catalyzed Michael-Pinner-isomerization cascade reaction of 3-hydroxyoxindoles with isatylidene malononitriles: access to highly functionalized bispirooxindoles containing a fully substituted dihydrofuran motif.","Organic & biomolecular chemistry","2017","15","4","984","990","10.1039/c6ob02254e","","","0.71073","MoKα","","0.0784","0.0691","","","0.1856","0.1949","","","","","","1.037","","","","has coordinates","191734","2020-10-21","18:00:00",""
"7155426","24.4406","0.0008","4.3182","0.0002","11.0826","0.0004","90","","90","","90","","1169.65","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Deng, Zhongfu; Peng, Xiangjun; Huang, Panpan; Jiang, Lili; Ye, Dongnai; Liu, Liangxian","A multifunctionalized strategy of indoles to C2-quaternary indolin-3-ones via a TEMPO/Pd-catalyzed cascade process.","Organic & biomolecular chemistry","2017","15","2","442","448","10.1039/c6ob02285e","","","0.71073","MoKα","","0.1002","0.0397","","","0.0557","0.0649","","","","","","0.831","","","","has coordinates","189873","2020-10-21","18:00:00",""
"7155427","9.344","0.003","22.993","0.007","16.649","0.005","90","","90","","90","","3577","1.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2,6-dimethylphenyl)-2-(N-(prop-2-yn-1-yl)acetamido)pentanamide","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C144 H192 N16 O16 -","8","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.1588","0.0763","","","0.1767","0.2355","","","","","","1.001","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155428","7.2997","0.0003","8.7192","0.0003","27.1071","0.0011","90","","97.636","0.001","90","","1710","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Acetyl-1-(2,6-dimethylphenyl)-6-methyl-3-propyl-3,4-dihydropyrazin-2(1H)-one","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0708","0.0472","","","0.1161","0.131","","","","","","1.035","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155429","8.2348","0.0007","26.914","0.002","8.2642","0.0007","90","","108.859","0.002","90","","1733.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,6-Dimethylphenyl)-1,4-dimethylpyrazino[2,1-a]isoindole-3,6(2H,4H)-dione","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0664","0.0532","","","0.1406","0.1508","","","","","","1.07","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155430","14.0741","0.0005","8.4735","0.0003","16.5267","0.0006","90","","115.019","0.001","90","","1785.99","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-4-isopropyl-1-methylpyrazino[2,1-a]isoindole-3,6(2H,4H)-dione","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0499","0.0409","","","0.1019","0.1081","","","","","","1.04","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155431","5.5345","0.0009","10.8618","0.0018","14.707","0.002","90","","99.962","0.007","90","","870.8","0.2","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O7 -","- C16 H17 Br O7 -","- C32 H34 Br2 O14 -","2","1","","Li, Ji-Yao; Yu, Ke-Wei; Xie, Chao-Chao; Liu, Yan-Kai","Lactols in an asymmetric aldol-desymmetrization sequence: access to tetrahydro-4H-furo[2,3-b]pyran-2-one and tetrahydro-4H-furo[2,3-b]furan-2-one derivatives.","Organic & biomolecular chemistry","2017","15","6","1407","1417","10.1039/c6ob02420c","","","1.54184","CuKα","","0.041","0.0392","","","0.1042","0.1058","","","","","","1.053","","","","has coordinates","193894","2020-10-21","18:00:00",""
"7155432","6.8501","0.0005","22.11","0.0015","9.826","0.0007","90","","99.315","0.002","90","","1468.58","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 O4 -","- C16 H16 Cl2 O4 -","- C64 H64 Cl8 O16 -","4","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0399","0.0336","","","0.0854","0.0899","","","","","","1.027","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155433","5.945","0.005","18.659","0.005","7.352","0.005","90","0.005","103.111","0.005","90","0.005","794.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 O4 -","- C16 H20 Cl2 O4 -","- C32 H40 Cl4 O8 -","2","0.5","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0313","0.0282","","","0.0675","0.0698","","","","","","1.058","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155434","11.734","0.005","7.397","0.005","12.645","0.005","90","0.005","107.317","0.005","90","0.005","1047.8","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O5 -","- C23 H32 O5 -","- C46 H64 O10 -","2","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0809","0.0591","","","0.1732","0.1932","","","","","","1.049","","","","has coordinates,has disorder","191748","2020-10-21","18:00:00",""
"7155435","8.7034","0.0004","9.1817","0.0004","16.3996","0.0009","92.963","0.003","104.082","0.003","117.611","0.002","1105.57","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0778","0.072","","","0.1832","0.1857","","","","","","1.124","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155436","6.9645","0.0014","14.893","0.003","14.57","0.003","90","","101.19","0.03","90","","1482.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.","Organic & biomolecular chemistry","2017","15","5","1228","1235","10.1039/c6ob02137a","","","0.71073","MoKα","","0.0774","0.0396","","","0.0845","0.1299","","","","","","1.153","","","","has coordinates","191750","2020-10-21","18:00:00",""
"7155437","8.8657","0.0018","11.708","0.002","13.548","0.003","90","","90","","90","","1406.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.","Organic & biomolecular chemistry","2017","15","5","1228","1235","10.1039/c6ob02137a","","","0.71073","MoKα","","0.0972","0.0585","","","0.1521","0.2084","","","","","","1.04","","","","has coordinates","191750","2020-10-21","18:00:00",""
"7155438","7.25647","0.00018","13.0278","0.0004","17.2343","0.0005","90","","90","","90","","1629.26","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(P)-(+)-2-Aza(6)helicene","(P)-(+)-Benzo(5,6)phenanthro(3,4-h)isoquinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0734","0.0624","","","0.1559","0.1652","","","","","","1.064","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155439","7.29278","0.00013","12.9794","0.0002","17.3679","0.0003","90","","90","","90","","1643.97","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(M)-(-)-1-Aza(6)helicene","(M)-(-)‒Benzo(5,6)phenanthro(3,4-h)quinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0478","0.0419","","","0.1093","0.1138","","","","","","1.065","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155440","5.2767","0.0002","8.2192","0.0003","29.2713","0.0011","90","","90","","90","","1269.5","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Ren, Qiao; Li, Muyao; Yuan, Lujiang","Expeditious assembly of fused dihydropyranones via N-heterocyclic carbene-catalyzed tandem Michael addition/lactonization.","Organic & biomolecular chemistry","2017","15","6","1329","1333","10.1039/c6ob02449a","","","0.71073","MoKα","","0.0244","0.0222","","","0.0501","0.0515","","","","","","1.056","","","","has coordinates","193891","2020-10-21","18:00:00",""
"7155441","19.17","0.003","5.9569","0.001","7.7612","0.0014","90","","90","","90","","886.3","0.3","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","0.71073","MoKα","","0.0344","0.031","","","0.0796","0.0818","","","","","","1.054","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155442","10.0351","0.0011","10.0395","0.0011","10.3718","0.0011","72.048","0.001","81.272","0.001","66.178","0.001","908.92","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl N O5 S -","- C19 H18 Cl N O5 S -","- C38 H36 Cl2 N2 O10 S2 -","2","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","0.71073","MoKα","","0.0297","0.0275","","","0.0716","0.0731","","","","","","1.056","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155443","12.5262","0.0012","9.5955","0.0009","16.6342","0.0015","90","","93.049","0.003","90","","1996.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl N O6 S2 -","- C18 H18 Cl N O6 S2 -","- C72 H72 Cl4 N4 O24 S8 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","1.54178","CuKα","","0.073","0.0636","","","0.1779","0.1923","","","","","","1.179","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155444","10.5871","0.0009","17.4471","0.0015","7.3732","0.0006","90","","107.844","0.003","90","","1296.42","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Br Cl N O -","- C13 H15 Br Cl N O -","- C52 H60 Br4 Cl4 N4 O4 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","1.54178","CuKα","","0.0601","0.0522","","","0.1254","0.1306","","","","","","1.092","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155445","16.674","0.003","11.067","0.002","20.438","0.004","90","","107.38","0.03","90","","3599.3","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 B F2 N2 S8 -","- C36 H29 B F2 N2 S8 -","- C144 H116 B4 F8 N8 S32 -","4","1","","Liu, Ping; Gao, Feng; Zhou, Lina; Chen, Yu; Chen, Zhijian","Tetrathienyl-functionalized red- and NIR-absorbing BODIPY dyes appending various peripheral substituents.","Organic & biomolecular chemistry","2017","15","6","1393","1399","10.1039/c6ob02612e","","","0.71073","MoKα","","0.1643","0.0801","","","0.1754","0.2165","","","","","","1.039","","","","has coordinates","193886","2020-10-21","18:00:00",""
"7155446","12.3105","","12.6606","","22.2312","","84.259","","81.474","","77.247","","3333.95","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C180 H138 Cl2 N2 -","- C180 H138 Cl2 N2 -","- C180 H138 Cl2 N2 -","1","0.5","","Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi","Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.","Organic & biomolecular chemistry","2017","15","6","1426","1434","10.1039/c6ob02775j","","","0.8","synchrotron","","0.1469","0.0997","","","0.2648","0.3091","","","","","","1.028","","","","has coordinates,has disorder","193890","2020-10-21","18:00:00",""
"7155447","19.0199","0.0008","19.4285","0.0008","23.4411","0.0008","100.927","0.003","104.663","0.003","102.902","0.004","7885.4","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","2,3-bis(5,8,11,14,17-pentamesitylhexabenzo[bc,ef,hi,kl,no,qr]coronen-2-yl)maleonitrile","","- C204 H173.84 N9.95 O2.53 -","- C204.002 H173.838 N9.946 O2.528 -","- C408.004 H347.676 N19.892 O5.056 -","2","1","","Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi","Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.","Organic & biomolecular chemistry","2017","15","6","1426","1434","10.1039/c6ob02775j","","","0.71073","MoKα","","0.1786","0.1027","","","0.28","0.3482","","","","","","1.014","","","","has coordinates,has disorder","193890","2020-10-21","18:00:00",""
"7155448","6.0454","0.0006","14.0347","0.0014","7.1416","0.0008","90","","101.033","0.003","90","","594.73","0.11","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O7 -","- C10 H13 N O7 -","- C20 H26 N2 O14 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1675","0.1101","","","0.2694","0.3029","","","","","","1.062","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155449","8.1774","0.0004","8.2158","0.0003","15.0345","0.0007","90","","98.231","0.002","90","","999.67","0.08","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 N O6 Si -","- C19 H27 N O6 Si -","- C38 H54 N2 O12 Si2 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.0288","0.0254","","","0.0621","0.0635","","","","","","1.055","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155450","8.2084","0.0014","5.2477","0.0008","24.351","0.004","90","","90.768","0.005","90","","1048.8","0.3","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C48 H36 N4 O20 -","4","2","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1589","0.1518","","","0.3679","0.3717","","","","","","1.159","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155451","7.9533","0.0006","9.1569","0.0007","11.67","0.0008","83.471","0.004","82.104","0.004","88.025","0.004","836.23","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C42 H44 N4 -","2","1","","Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.","Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.","Organic & biomolecular chemistry","2017","15","6","1435","1443","10.1039/c6ob02671k","","","0.71073","MoKα","","0.1096","0.061","","","0.1701","0.1981","","","","","","1.019","","","","has coordinates","193887","2020-10-21","18:00:00",""
"7155452","12.111","0.0008","10.0955","0.0007","23.0729","0.0016","90","","93.385","0.003","90","","2816.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C144 H128 N16 -","8","2","","Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.","Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.","Organic & biomolecular chemistry","2017","15","6","1435","1443","10.1039/c6ob02671k","","","0.71073","MoKα","","0.0939","0.0546","","","0.15","0.1783","","","","","","1.056","","","","has coordinates","193887","2020-10-21","18:00:00",""
"7155453","14.649","0.003","9.1488","0.0018","13.375","0.003","90","","102.24","0.03","90","","1751.8","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Li, Yu-Xia; Wang, Qi-Qiang; Yang, Luo","Metal-free decarbonylative alkylation-aminoxidation of styrene derivatives with aliphatic aldehydes and N-hydroxyphthalimide.","Organic & biomolecular chemistry","2017","15","6","1338","1342","10.1039/c7ob00030h","","","0.71073","MoKα","","0.0691","0.0612","","","0.1173","0.1215","","","","","","1.212","","","","has coordinates","193893","2020-10-21","18:00:00",""
"7155454","12.2397","0.0002","7.42711","0.00013","12.5508","0.0002","90","","104.05","0.001","90","","1106.8","0.03","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-3,3-dimethyl-2-((S)-4-((E)-styryl)-1-tosylpyrrolidin-3-ylidene)butanenitrile","","- C9 H13 N3 O5 S -","- C25 H28 N2 O2 S -","- C50 H56 N4 O4 S2 -","2","1","","Amako, Yuka; Arai, Shigeru; Nishida, Atsushi","Transfer of axial chirality through the nickel-catalysed hydrocyanation of chiral allenes.","Organic & biomolecular chemistry","2017","15","7","1612","1617","10.1039/c7ob00047b","","","1.54187","CuKα","","0.0558","0.0403","","","0.0817","0.0971","","","","","","1.087","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155455","19.746","0.008","11.173","0.004","9.393","0.004","90","","90","","90","","2072.3","1.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.","Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.","Organic & biomolecular chemistry","2017","15","6","1484","1494","10.1039/c6ob02618d","","","0.71073","MoKα","","0.0845","0.0461","","","0.0799","0.0932","","","","","","1.045","","","","has coordinates","193884","2020-10-21","18:00:00",""
"7155456","32.437","0.005","7.6263","0.0017","33.681","0.006","90","","98.332","0.014","90","","8244","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N S -","- C25 H21 N S -","- C400 H336 N16 S16 -","16","2","","González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.","Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.","Organic & biomolecular chemistry","2017","15","6","1484","1494","10.1039/c6ob02618d","","","0.71073","MoKα","","0.1883","0.0751","","","0.1764","0.2394","","","","","","0.992","","","","has coordinates","193884","2020-10-21","18:00:00",""
"7155457","9.5682","0.001","9.6574","0.001","14.765","0.0015","88.829","0.002","86.829","0.002","76.122","0.002","1322.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cl N O -","- C3.29412 Cl0.235294 N0.235294 O0.705882 -","- C56 Cl4 N4 O12 -","17","8.5","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.1771","0.1424","","","0.3505","0.3979","","","","","","2.407","","","","has coordinates","193899","2020-10-21","18:00:00",""
"7155458","5.407","","7.782","","16.311","","96.51","","95.82","","90.74","","678.175","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7.5 H7 Cl0.5 N0.5 O1.5 -","- C15 Cl N O3 -","- C30 Cl2 N2 O6 -","2","1","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.1285","0.117","","","0.3289","0.3514","","","","","","2.536","","","","has coordinates","193899","2020-10-21","18:00:00",""
"7155459","7.6713","0.0019","20.094","0.005","10.598","0.003","90","","94.855","0.004","90","","1627.8","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Br N2 O2 -","- C16 Br N2 O2 -","- C64 Br4 N8 O8 -","4","1","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.0981","0.0654","","","0.1837","0.2049","","","","","","1.227","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155460","7.617","0.012","10.617","0.017","11.452","0.018","64.336","0.015","72.042","0.017","88.506","0.018","788","2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C42 H26 N6 O4 -","2","1","","Guo, Shenghai; Zhai, Jianhui; Fan, Xuesen","An I2-mediated cascade reaction of 2'-bromoacetophenones with benzohydrazides/benzamides leading to quinazolino[3,2-b]cinnoline or tryptanthrin derivatives.","Organic & biomolecular chemistry","2017","15","6","1521","1529","10.1039/c6ob02699k","","","0.71073","MoKα","","0.0871","0.0682","","","0.125","0.1672","","","","","","1.053","","","","has coordinates","193885","2020-10-21","18:00:00",""
"7155461","7.993","0.004","12.54","0.005","10.604","0.004","90","","102.751","0.008","90","","1036.7","0.8","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(6-Methoxybenzofuran-2-yl)-2-nitroethanol","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","2","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","0.71073","MoKα","","0.0865","0.0657","","","0.1411","0.1532","","","","","","1.015","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155462","5.5571","0.0002","5.6305","0.0002","32.3624","0.001","90","","90","","90","","1012.6","0.06","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Chloride substitute","(S)-1-(5-Chlorobenzofuran-2-yl)-2-nitroethanol","","- C10 H8 Cl N O4 -","- C10 H8 Cl N O4 -","- C40 H32 Cl4 N4 O16 -","4","1","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","1.54184","CuKα","","0.0232","0.0217","","","0.0544","0.0549","","","","","","1.046","","","","has coordinates","193888","2020-10-21","18:00:00",""
"7155463","26.2548","0.0011","9.6138","0.0006","17.4876","0.0007","90","","103.593","0.004","90","","4290.4","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-((R)-phenyl((S)-3-phenylmorpholino)methyl)naphthalen-2-ol","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C216 H200 N8 O16 -","8","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.0782","0.053","","","0.1118","0.1267","","","","","","1.079","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155464","13.4796","0.0007","23.9065","0.0012","6.3744","0.0003","90","","90","","90","","2054.15","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-((R)-phenyl((R)-2-phenylpyrrolidin-1-yl)methyl)naphthalen-2-ol","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.0592","0.0463","","","0.0771","0.0825","","","","","","1.127","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155465","9.8047","0.0015","11.9575","0.0013","16.3809","0.0017","90","","97.122","0.008","90","","1905.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7aS,10R,12R)-10-isopropyl-12-phenyl-8,9,10,12-tetrahydro-7aH-naphtho[1,2-e]pyrrolo[2,1-b][1,3]oxazine","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.19","0.0761","","","0.1392","0.1791","","","","","","1.057","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155466","7.941","0.0004","32.3062","0.0015","17.2176","0.0008","90","","95.624","0.005","90","","4395.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7aS,11R,13R)-11-benzyl-13-phenyl-7a,8,9,10,11,13-hexahydronaphtho[1,2-e]pyrido[2,1-b][1,3]oxazine","","- C29 H27 N O -","- C29 H27 N O -","- C232 H216 N8 O8 -","8","2","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.1007","0.0617","","","0.1393","0.1658","","","","","","1.042","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155467","10.415","0.002","11.469","0.002","15.047","0.003","90","","90","","90","","1797.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O5 -","- C19 H16 Br N O5 -","- C76 H64 Br4 N4 O20 -","4","1","","Manoni, Francesco; Farid, Umar; Trujillo, Cristina; Connon, Stephen J.","Catalytic asymmetric Tamura cycloadditions involving nitroalkenes.","Organic & biomolecular chemistry","2017","15","6","1463","1474","10.1039/c6ob02637k","","","0.71073","MoKα","","0.0448","0.0422","","","0.1096","0.1249","","","","","","0.885","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155468","4.8942","0.0004","13.6964","0.001","14.1713","0.0012","90","","90","","90","","949.94","0.13","294.44","0.1","294.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1181","0.0552","","","0.0992","0.1262","","","","","","1.06","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155469","16.0871","0.0008","12.5495","0.0006","18.6772","0.0009","90","","90","","90","","3770.6","0.3","294.44","0.1","294.44","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H8 O -","- C13 H8 O -","- C208 H128 O16 -","16","2","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1424","0.0677","","","0.1485","0.1972","","","","","","1.053","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155470","16.8632","0.0005","5.6827","0.0002","20.8486","0.0006","90","","100.486","0.001","90","","1964.52","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-benzyl-4-methyl-N-(1-phenyl-1H-pyrazol-4-yl)benzenesulfonamide","","- C23 H21 N3 O2 S -","- C23 H21 N3 O2 S -","- C92 H84 N12 O8 S4 -","4","1","","Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S","Synthesis of aminopyrazoles from sydnones and ynamides.","Organic & biomolecular chemistry","2017","15","7","1575","1579","10.1039/c6ob02518h","","","1.54178","CuKα","","0.043","0.0353","","","0.0832","0.087","","","","","","1.041","","","","has coordinates","193897","2020-10-21","18:00:00",""
"7155471","5.9736","0.0003","9.6554","0.0005","19.0149","0.0009","83.76","0.002","86.84","0.002","77.757","0.002","1064.86","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","N-benzyl-4-methyl-N-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)benzenesulfonamide","","- C24 H20 F3 N3 O2 S -","- C24 H20 F3 N3 O2 S -","- C48 H40 F6 N6 O4 S2 -","2","1","","Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S","Synthesis of aminopyrazoles from sydnones and ynamides.","Organic & biomolecular chemistry","2017","15","7","1575","1579","10.1039/c6ob02518h","","","1.54178","CuKα","","0.0436","0.0379","","","0.0907","0.0941","","","","","","1.026","","","","has coordinates,has disorder","193897","2020-10-21","18:00:00",""
"7155472","11.611","0.003","7.436","0.002","20.143","0.006","90","","95.124","0.004","90","","1732.2","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl N2 O3 Rh -","- C17 H14 Cl N2 O3 Rh -","- C68 H56 Cl4 N8 O12 Rh4 -","4","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0459","0.0368","","","0.1014","0.1267","","","","","","1.113","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155473","7.875","0.002","16.458","0.004","12.568","0.003","90","","100.553","0.003","90","","1601.3","0.7","193","2","193","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 Cl N2 O2 Rh -","- C16 H12 Cl N2 O2 Rh -","- C64 H48 Cl4 N8 O8 Rh4 -","4","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0579","0.042","","","0.0827","0.0896","","","","","","1.089","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155474","10.436","0.003","12","0.003","14.96","0.004","82.159","0.008","89.752","0.009","66.314","0.006","1697","0.8","123.2","","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H7 Cl F5 N2 O2 Rh -","- C16 H7 Cl F5 N2 O2 Rh -","- C64 H28 Cl4 F20 N8 O8 Rh4 -","4","2","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0393","0.0296","","","0.0571","0.0596","","","","","","0.875","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155475","7.168","0.004","9.002","0.005","15.02","0.008","76.479","0.014","80.476","0.018","81.147","0.016","922.6","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H11 Cl F3 N2 O2 Rh -","- C19 H11 Cl F3 N2 O2 Rh -","- C38 H22 Cl2 F6 N4 O4 Rh2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0556","0.0446","","","0.1025","0.1097","","","","","","1.01","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155476","8.144","0.002","9.039","0.003","9.707","0.003","97.961","0.002","106.05","0.004","95.085","0.003","674","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O Se -","- C15 H14 N2 O Se -","- C30 H28 N4 O2 Se2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0367","0.033","","","0.0817","0.0828","","","","","","1","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155477","7.0475","0.0015","9.2569","0.0018","14.015","0.003","95.006","0.002","104.313","0.0019","101.011","0.003","860.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl N2 O2 Rh -","- C18 H12 Cl N2 O2 Rh -","- C36 H24 Cl2 N4 O4 Rh2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0308","0.0283","","","0.0716","0.0727","","","","","","1.009","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155478","5.9842","0.0001","9.104","0.0002","16.0223","0.0003","90","","90","","90","","872.9","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Li, Ke; Wang, Juxiang; Wu, Kailin; Zheng, Daijun; Zhou, Xiaojian; Han, Wenyong; Wan, Nanwei; Cui, Baodong; Chen, Yongzheng","Enantioselective synthesis of 1,2,3,4-tetrahydroquinoline-4-ols and 2,3-dihydroquinolin-4(1H)-ones via a sequential asymmetric hydroxylation/diastereoselective oxidation process using Rhodococcus equi ZMU-LK19.","Organic & biomolecular chemistry","2017","15","17","3580","3584","10.1039/c7ob00151g","","","1.54178","CuKα","","0.0388","0.0387","","","0.1036","0.1036","","","","","","1.099","","","","has coordinates","196502","2020-10-21","18:00:00",""
"7155479","9.785","0.002","11.295","0.002","11.879","0.002","90","","97.63","0.03","90","","1301.3","0.4","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","2","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0449","0.0438","","","0.1073","0.1085","","","","","","1.071","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155480","7.4743","0.0015","9.2516","0.0019","10.829","0.002","90","","92.25","0.03","90","","748.2","0.3","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O6 -","- C15 H16 N2 O6 -","- C30 H32 N4 O12 -","2","1","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0327","0.0322","","","0.0845","0.0853","","","","","","1.055","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155481","8.8691","0.0004","9.8046","0.0005","12.4019","0.0006","99.836","0.002","102.889","0.002","94.239","0.002","1028.75","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C50 H44 N4 O4 S2 -","2","1","","Kumar Boominathan, Siva Senthil; Reddy, Mutra Mohana; Hou, Ruei-Jhih; Chen, Hui-Fen; Wang, Jeh-Jeng","A simple and efficient method for constructing azepino[4,5-b]indole derivatives via acid catalysis.","Organic & biomolecular chemistry","2017","15","8","1872","1875","10.1039/c6ob02722a","","x-ray","0.71073","MoKα","","0.0455","0.038","","","0.1037","0.1117","","","","","","1","","","","has coordinates","193883","2020-10-21","18:00:00",""
"7155482","13.8738","0.0004","16.4725","0.0005","7.3033","0.0002","90","","105.255","0.0016","90","","1610.26","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","1","","Hazarika, Nabajyoti; Sarmah, Barnali; Bordoloi, Manobjyoti; Phukan, Prodeep; Baishya, Gakul","Diastereoselective synthesis of tetrahydropyrans via Prins-Ritter and Prins-arylthiolation cyclization reactions.","Organic & biomolecular chemistry","2017","15","9","2003","2012","10.1039/c6ob02692c","","","0.71073","MoKα","","0.0259","0.0214","","","0.0756","0.0813","","","","","","0.697","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155483","11.751","0.005","12.712","0.005","13.46","0.005","89.482","0.005","68.529","0.005","73.872","0.005","1787.8","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N2 O4 -","- C46 H36 N2 O4 -","- C92 H72 N4 O8 -","2","1","","Suman, Koorathota; Ramanjaneyulu, Mala; Thennarasu, Sathiah","Diastereoselective tandem oxidation/Michael/aldol reaction: unprecedented formation of dispirocyclopentanebisoxindoles and dispiro[acenaphthylene-1,1'-cyclopentane-3',1''-acenaphthylene]-2,2''diones.","Organic & biomolecular chemistry","2017","15","9","1961","1964","10.1039/c6ob02607a","","","0.71073","MoKα","","0.1185","0.0497","","","0.1188","0.1568","","","","","","1.006","","","","has coordinates","193902","2020-10-21","18:00:00",""
"7155484","4.673","0.004","7.018","0.006","13.709","0.012","77.037","0.011","86.712","0.011","86.883","0.012","437","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","1","0.5","","Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko","Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring.","Organic & biomolecular chemistry","2017","15","9","1965","1969","10.1039/c7ob00181a","","","0.71069","MoKα","","","0.0438","","","","0.1345","","","","","","0.684","","","","has coordinates","193904","2020-10-21","18:00:00",""
"7155485","11.05","0.016","15.17","0.02","18.83","0.03","90","","90","","90.198","0.018","3156","8","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N5 O2 -","- C17.75 H15 N5.25 O2 -","- C142 H120 N42 O16 -","8","4","","Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko","Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring.","Organic & biomolecular chemistry","2017","15","9","1965","1969","10.1039/c7ob00181a","","","0.71069","MoKα","","","0.1137","","","","0.2802","","","","","","0.875","","","","has coordinates","193904","2020-10-21","18:00:00",""
"7155486","9.02","0.004","10.237","0.004","9.318","0.004","90","","117.399","0.006","90","","763.9","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Mukherjee, Subrata; Joseph, Sumi; Bhunia, Anup; Gonnade, Rajesh G.; Yetra, Santhivardhana Reddy; Biju, Akkattu T.","Enantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3 + 2] annulation of enals with 3-hydroxy oxindoles.","Organic & biomolecular chemistry","2017","15","9","2013","2019","10.1039/c7ob00148g","","","0.71073","MoKα","","0.0691","0.0457","","","0.1121","0.135","","","","","","1.122","","","","has coordinates","193908","2020-10-21","18:00:00",""
"7155487","15.0818","0.0003","5.9952","0.0001","18.5272","0.0004","90","","102.281","0.002","90","","1636.86","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Fluoro-3-hydroxy-1,3,3-triphenylpropan-1-one","","- C21 H17 F O2 -","- C21 H17 F O2 -","- C84 H68 F4 O8 -","4","1","","Naveen, Naganaboina; Balamurugan, Rengarajan","Catalyst free synthesis of α-fluoro-β-hydroxy ketones/α-fluoro-ynols via electrophilic fluorination of tertiary propargyl alcohols using Selectfluor™ (F-TEDA-BF4).","Organic & biomolecular chemistry","2017","15","9","2063","2072","10.1039/c7ob00140a","","","1.54184","CuKα","","0.0472","0.0424","","","0.1172","0.1223","","","","","","1.046","","","","has coordinates","193905","2020-10-21","18:00:00",""
"7155488","4.87924","0.00005","14.43858","0.00015","20.3657","0.0002","90","","90","","90","","1434.75","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0538","0.0477","","","0.1217","0.1282","","","","","","1.033","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155489","4.88084","0.00006","14.45507","0.00015","20.3743","0.0002","90","","90","","90","","1437.47","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0527","0.0498","","","0.1346","0.1386","","","","","","1.074","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155490","9.4223","0.0006","20.649","0.0013","10.9082","0.0008","90","","105.964","0.0019","90","","2040.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","","Rong, Zhouting; Echavarren, Antonio M.","Broad scope gold(i)-catalysed polyenyne cyclisations for the formation of up to four carbon-carbon bonds.","Organic & biomolecular chemistry","2017","15","10","2163","2167","10.1039/c7ob00235a","","","0.71073","MoKα","","0.051","0.0426","","","0.1059","0.1111","","","","","","1.046","","","","has coordinates","195168","2020-10-21","18:00:00",""
"7155491","9.8767","0.0014","23.638","0.003","8.6175","0.0012","90","","102.363","0.004","90","","1965.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","1","","Rong, Zhouting; Echavarren, Antonio M.","Broad scope gold(i)-catalysed polyenyne cyclisations for the formation of up to four carbon-carbon bonds.","Organic & biomolecular chemistry","2017","15","10","2163","2167","10.1039/c7ob00235a","","","0.71073","MoKα","","0.053","0.0482","","","0.1255","0.1284","","","","","","1.127","","","","has coordinates","195168","2020-10-21","18:00:00",""
"7155492","14.5068","0.0011","16.0241","0.0012","7.276","0.0005","90","","96.491","0.001","90","","1680.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F6 -","- C24 H12 F6 -","- C96 H48 F24 -","4","1","","Yamada, Shigeyuki; Kinoshita, Keita; Iwama, Shota; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko; Yamamoto, Kyoko; Tahara, Shinya","Synthesis of perfluoroalkylated pentacenes and evaluation of their fundamental physical properties.","Organic & biomolecular chemistry","2017","15","12","2522","2535","10.1039/c7ob00043j","","","0.71073","MoKα","","0.0767","0.0482","","","0.1377","0.1575","","","","","","0.999","","","","has coordinates","195181","2020-10-21","18:00:00",""
"7155493","16.244","0.006","11.619","0.004","12.748","0.005","90","","73.966","0.006","90","","2312.4","1.5","123.15","","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 F20 -","- C23 H8 F20 -","- C92 H32 F80 -","4","1","","Yamada, Shigeyuki; Kinoshita, Keita; Iwama, Shota; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko; Yamamoto, Kyoko; Tahara, Shinya","Synthesis of perfluoroalkylated pentacenes and evaluation of their fundamental physical properties.","Organic & biomolecular chemistry","2017","15","12","2522","2535","10.1039/c7ob00043j","","","0.710747","MoKα","","0.0807","0.0579","","","0.1249","0.1384","","","","","","1.05","","","","has coordinates","195181","2020-10-21","18:00:00",""
"7155494","7.8393","0.0009","10.8367","0.0012","17.382","0.002","90","","94.666","0.005","90","","1471.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.5 H20 Cl N O2 -","- C15.5 H20 Cl N O2 -","- C62 H80 Cl4 N4 O8 -","4","1","","Yang, Yanxin; Yan, Linfan; Xie, Qinyu; Liang, Qiuming; Song, Datong","Zwitterionic indenylammonium with carbon-centred reactivity towards reversible CO2 binding and catalytic reduction.","Organic & biomolecular chemistry","2017","15","10","2240","2245","10.1039/c7ob00364a","","","0.71073","MoKα","","0.1588","0.0664","","","0.1285","0.1635","","","","","","1.012","","","","has coordinates","195167","2020-10-21","18:00:00",""
"7155495","6.3758","0.0004","12.4522","0.0007","14.7628","0.001","90","0.005","79.702","0.006","90","0.005","1153.18","0.13","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C56 H36 N12 O8 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1536","0.0678","","","0.1177","0.1505","","","","","","1.045","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155496","9.5475","0.0013","4.7592","0.0005","12.4973","0.0018","90","","103.477","0.013","90","","552.22","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.0629","0.0454","","","0.0953","0.1085","","","","","","1.01","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155497","3.8983","0.0005","26.209","0.003","11.0333","0.0011","90","","96.286","0.011","90","","1120.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.2615","0.1109","","","0.2407","0.3247","","","","","","0.967","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155498","16.0372","0.0012","3.9616","0.0003","18.8895","0.0014","90","0.005","101.354","0.006","90","0.005","1176.62","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1164","0.0547","","","0.111","0.1419","","","","","","1.03","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155499","3.9286","0.0004","11.3555","0.0015","13.3245","0.0015","78.536","0.011","83.012","0.009","81.083","0.01","572.98","0.12","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C28 H18 N6 O4 -","2","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1494","0.0664","","","0.1224","0.1694","","","","","","1.026","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155500","9.5607","0.0009","10.284","0.001","10.9413","0.001","100.114","0.004","114.21","0.004","102.16","0.004","916.8","0.16","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","2-Methoxy-4'-phenyl-[1,1':2',1''-terphenyl]-3'-ol (9d)","","- C25 H20 O2 -","- C25 H20 O2 -","- C50 H40 O4 -","2","1","","Maezono, Shizuka Mei Bautista; Poudel, Tej Narayan; Lee, Yong Rok","One-pot construction of sterically challenging and diverse polyarylphenols via transition-metal-free benzannulation and their potent in vitro antioxidant activity.","Organic & biomolecular chemistry","2017","15","9","2052","2062","10.1039/c7ob00078b","","","0.71073","MoKα","","0.0621","0.0429","","","0.1164","0.1258","","","","","","1.069","","","","has coordinates","193907","2020-10-21","18:00:00",""
"7155501","9.688","0.0003","21.3581","0.0008","14.0274","0.0005","90","","106.82","0.001","90","","2778.34","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br N5 O9 -","- C25 H24 Br N5 O9 -","- C100 H96 Br4 N20 O36 -","4","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0676","0.0443","","","0.1076","0.1217","","","","","","1.032","","","","has coordinates","195166","2020-10-21","18:00:00",""
"7155502","16.88","0.003","7.9527","0.0015","21.255","0.004","90","","90","","90","","2853.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl2 N O3 -","- C14 H11 Cl2 N O3 -","- C112 H88 Cl16 N8 O24 -","8","1","","Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao","Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.","Organic & biomolecular chemistry","2017","15","11","2345","2348","10.1039/c7ob00338b","","","0.71073","MoKα","","0.0498","0.0336","","","0.0791","0.0897","","","","","","1.032","","","","has coordinates","195172","2020-10-21","18:00:00",""
"7155503","5.6319","0.0014","11.918","0.003","14.202","0.004","80.529","0.006","81.438","0.006","78.19","0.006","913.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao","Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.","Organic & biomolecular chemistry","2017","15","11","2345","2348","10.1039/c7ob00338b","","","0.71073","MoKα","","0.0898","0.0601","","","0.1936","0.2489","","","","","","1.018","","","","has coordinates","195172","2020-10-21","18:00:00",""
"7155504","9.8839","0.0004","9.9233","0.0004","13.1134","0.0005","109.219","0.004","93.721","0.003","115.017","0.004","1068.78","0.09","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 B Fe N O4 -","- C24 H28 B Fe N O4 -","- C48 H56 B2 Fe2 N2 O8 -","2","1","","Goggins, Sean; Apsey, Ellen A.; Mahon, Mary F.; Frost, Christopher G.","Ratiometric electrochemical detection of hydrogen peroxide and glucose.","Organic & biomolecular chemistry","2017","15","11","2459","2466","10.1039/c7ob00211d","","","1.54184","CuKα","","0.0439","0.0421","","","0.1088","0.1112","","","","","","1.033","","","","has coordinates","195173","2020-10-21","18:00:00",""
"7155505","7.8685","0.0004","15.9375","0.0007","10.112","0.0004","90","","102.539","0.005","90","","1237.84","0.1","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","dimethyl 2-((4-nitrophenyl)amino)malonate","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","","Ramakrishna, Kankanala; Sivasankar, Chinnappan","Iridium catalyzed acceptor/acceptor carbene insertion into N-H bonds in water.","Organic & biomolecular chemistry","2017","15","11","2392","2396","10.1039/c7ob00177k","","","0.71073","MoKα","","0.0665","0.047","","","0.1224","0.1374","","","","","","1.038","","","","has coordinates","195176","2020-10-21","18:00:00",""
"7155506","8.496","0.006","11.107","0.008","9.921","0.007","90","","95.155","0.012","90","","932.4","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C44 H46 N6 O4 -","2","1","","Li, X.; Reeder, A. T.; Torri, F.; Adams, H.; Jones, S.","Mechanistic investigations of the asymmetric hydrosilylation of ketimines with trichlorosilane reveals a dual activation model and an organocatalyst with enhanced efficiency.","Organic & biomolecular chemistry","2017","15","11","2422","2435","10.1039/c6ob02537d","","","0.71073","MoKα","","0.064","0.0412","","","0.0819","0.0888","","","","","","1.022","","","","has coordinates","195175","2020-10-21","18:00:00",""
"7155507","25.356","0.003","6.9395","0.0009","7.4967","0.0011","90","","90","","90","","1319.1","0.3","123.15","","123.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","0.5","","Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael","Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.","Organic & biomolecular chemistry","2017","15","13","2784","2790","10.1039/c7ob00441a","","","0.71073","MoKα","","0.1037","0.0898","","","0.2118","0.2207","","","","","","1.092","","","","has coordinates","195169","2020-10-21","18:00:00",""
"7155508","20.0339","0.0013","8.9046","0.0007","13.8902","0.001","90","","122.816","0.002","90","","2082.5","0.3","123","","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H8 F12 N2 O3 -","- C21 H8 F12 N2 O3 -","- C84 H32 F48 N8 O12 -","4","1","","Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael","Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.","Organic & biomolecular chemistry","2017","15","13","2784","2790","10.1039/c7ob00441a","","","0.71073","MoKα","","0.057","0.0466","","","0.1179","0.1254","","","","","","1.053","","","","has coordinates,has disorder","195169","2020-10-21","18:00:00",""
"7155509","6.9949","0.0009","10.2229","0.0014","15.438","0.002","90","","95.443","0.003","90","","1099","0.3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O S -","- C28 H25 N O S -","- C56 H50 N2 O2 S2 -","2","1","","Zhang, Xuxue; Wu, Mingsheng; Zhang, Juan; Cao, Song","Synthesis of N,N-disubstituted 2-aminothiophenes by the cyclization of gem-difluoroalkenes with β-keto thioamides.","Organic & biomolecular chemistry","2017","15","11","2436","2442","10.1039/c7ob00368d","","","0.71073","MoKα","","0.0499","0.0367","","","0.0801","0.0862","","","","","","1.023","","","","has coordinates","195174","2020-10-21","18:00:00",""
"7155510","5.6825","0.0003","14.2013","0.0007","11.4613","0.0006","90","","94.933","0.002","90","","921.49","0.08","150","2","150","2","","","","","","","Sarcophyton stellatum","3","P 1 21 1","P 2yb","4","","(‒)-(2R,7R,8R)-Sarcophytoxide","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Rahelivao, Marie Pascaline; Lübken, Tilo; Gruner, Margit; Kataeva, Olga; Ralambondrahety, Rahanira; Andriamanantoanina, Hanta; Checinski, Marek P.; Bauer, Ingmar; Knölker, Hans-Joachim","Isolation and structure elucidation of natural products of three soft corals and a sponge from the coast of Madagascar.","Organic & biomolecular chemistry","2017","15","12","2593","2608","10.1039/c7ob00191f","","","1.54178","CuKα","","0.0265","0.0264","","","0.0747","0.0747","","","","","","1.048","","","","has coordinates","195180","2020-10-21","18:00:00",""
"7155511","11.8164","0.0018","9.2321","0.0011","11.9043","0.0019","90","","110.492","0.003","90","","1216.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O3 S -","- C12 H14 O3 S -","- C48 H56 O12 S4 -","4","2","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0578","0.0414","","","0.0967","0.1063","","","","","","1.068","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155512","7.8117","0.001","12.6388","0.0016","16.816","0.002","90","","90","","90","","1660.3","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0476","0.0352","","","0.0775","0.0819","","","","","","1.051","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155513","7.8064","0.0014","12.6377","0.0019","16.783","0.003","90","","90","","90","","1655.7","0.5","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0619","0.0401","","","0.0826","0.0895","","","","","","1.043","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155514","7.5086","0.0002","20.531","0.0005","20.0462","0.0005","90","","97.9726","0.0015","90","","3060.43","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(tert-butyl)-2-(9-(2-(cyclopentylamino)-2-oxoethyl)-3,10-dioxo-4,9-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-yl)acetamide","","- C63 H80 N8 O9 -","- C63 H80 N8 O9 -","- C126 H160 N16 O18 -","2","0.5","","Pérez-Labrada, Karell; Cruz-Mendoza, Marco A; Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Torroba, Tomás; Miranda, Luis D.","Diversity-oriented synthesis and cytotoxic activity evaluation of biaryl-containing macrocycles.","Organic & biomolecular chemistry","2017","15","11","2450","2458","10.1039/c6ob02726a","","","1.54178","CuKα","","0.1764","0.1513","","","0.3364","0.3543","","","","","","1.197","","","","has coordinates,has disorder","195177","2020-10-21","18:00:00",""
"7155515","6.2179","0.0003","10.0744","0.0004","10.4155","0.0005","90","","107.042","0.005","90","","623.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O5 S -","- C9 H15 N O5 S -","- C18 H30 N2 O10 S2 -","2","1","","Gan, Shaoyan; Yin, Junjie; Yao, Yuan; Liu, Yang; Chang, Denghu; Zhu, Dan; Shi, Lei","Metal- and additive-free oxygen-atom transfer reaction: an efficient and chemoselective oxidation of sulfides to sulfoxides with cyclic diacyl peroxides.","Organic & biomolecular chemistry","2017","15","12","2647","2654","10.1039/c7ob00021a","","x-ray","0.71073","MoKα","","0.035","0.0325","","","0.0771","0.0791","","","","","","1.066","","","","has coordinates","195184","2020-10-21","18:00:00",""
"7155516","19.0072","0.0009","19.0072","0.0009","5.7243","0.0003","90","","90","","120","","1790.97","0.15","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C10 H10 O -","- C10 H10 O -","- C90 H90 O9 -","9","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0812","0.0773","","","0.2082","0.2129","","","","","","1.121","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7155517","4.6462","0.0002","9.7488","0.0003","19.6719","0.0006","90","","90","","90","","891.04","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0461","0.0461","","","0.1384","0.1385","","","","","","1.203","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7155518","10.848","0.002","8.1961","0.0016","15.304","0.003","90","","103.597","0.003","90","","1322.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Wang, Liang; Li, Xuehu; Tao, Hua; Zhou, Xiang; Lu, Xihong; Du, Wenyue; Jiang, Tingting; Xin, Zhijun; Liang, Jianping","Palladium-catalyzed intermolecular tandem cyclization reaction: a highly regioselective synthesis of functionalized 3H-spiro[isobenzofuran-1,3'-isochroman] scaffolds.","Organic & biomolecular chemistry","2017","15","11","2403","2410","10.1039/c6ob02802k","","","0.71073","MoKα","","0.0455","0.0412","","","0.1179","0.1227","","","","","","1.005","","","","has coordinates","195178","2020-10-21","18:00:00",""
"7155519","5.8794","0.0004","7.4664","0.0007","15.5877","0.0015","92.948","0.008","93.41","0.007","110.44","0.008","638.14","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H17 N3 -","- C14 H17 N3 -","- C28 H34 N6 -","2","1","","Sun, Chenyang; Yuan, Xiao; Li, Yan; Li, Xiaoxiao; Zhao, Zhigang","N(1)-Selective alkenylation of 1-sulfonyl-1,2,3-triazoles with alkynes via gold catalysis.","Organic & biomolecular chemistry","2017","15","13","2721","2724","10.1039/c7ob00142h","","x-ray","1.54184","CuKα","","0.075","0.0663","","","0.1641","0.1779","","","","","","1.065","","","","has coordinates","195171","2020-10-21","18:00:00",""
"7155520","10.82","0.004","17.17","0.02","10.534","0.005","90","","105.49","0.04","90","","1886","2","290.55","0.1","290.55","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Liu, Chen-Fei; Zhang, Guo-Tai; Sun, Jun-Shu; Dong, Lin","Access to π-conjugated azaindole derivatives via rhodium(iii)-catalyzed cascade reaction of azaindoles and diazo compounds.","Organic & biomolecular chemistry","2017","15","14","2902","2905","10.1039/c7ob00059f","","x-ray","0.71073","MoKα","","0.1235","0.076","","","0.206","0.2518","","","","","","1.022","","","","has coordinates","196511","2020-10-21","18:00:00",""
"7155521","7.1265","0.0007","28.922","0.003","11.2917","0.001","90","","106.228","0.001","90","","2234.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound (+) 14d","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C84 H76 N4 O8 S4 -","4","2","","Carella, Andrea; Ramos Ferronatto, Gabriel; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo; Paolucci, Claudio","Betti's base for crystallization-induced deracemization of substituted aldehydes: synthesis of enantiopure amorolfine and fenpropimorph.","Organic & biomolecular chemistry","2017","15","14","2968","2978","10.1039/c6ob02765b","","","0.71073","MoKα","","0.1279","0.0933","","","0.246","0.2878","","","","","","0.879","","","","has coordinates","196514","2020-10-21","18:00:00",""
"7155522","8.1053","0.0011","10.2013","0.0013","14.6738","0.0019","74.381","0.003","81.572","0.003","79.622","0.003","1143.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 Br O2 -","- C29 H21 Br O2 -","- C58 H42 Br2 O4 -","2","1","","Zhang, Fangfang; Yao, Qiyi; Yuan, Yang; Xu, Murong; Kong, Lingkai; Li, Yanzhong","Base-mediated insertion reaction of alkynes into carbon-carbon σ-bonds of ethanones: synthesis of hydroxydienone and chromone derivatives.","Organic & biomolecular chemistry","2017","15","12","2497","2500","10.1039/c7ob00476a","","","0.71073","MoKα","","0.0812","0.0517","","","0.1353","0.15","","","","","","1.025","","","","has coordinates","195183","2020-10-21","18:00:00",""
"7155523","10.1572","0.0014","9.7577","0.0014","21.796","0.003","90","","98.391","0.003","90","","2137.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C116 H80 O8 -","4","1","","Zhang, Fangfang; Yao, Qiyi; Yuan, Yang; Xu, Murong; Kong, Lingkai; Li, Yanzhong","Base-mediated insertion reaction of alkynes into carbon-carbon σ-bonds of ethanones: synthesis of hydroxydienone and chromone derivatives.","Organic & biomolecular chemistry","2017","15","12","2497","2500","10.1039/c7ob00476a","","","0.71073","MoKα","","0.0713","0.0437","","","0.1035","0.1149","","","","","","1.033","","","","has coordinates","195183","2020-10-21","18:00:00",""
"7155524","9.3577","0.0008","11.409","0.0009","11.7512","0.0008","63.086","0.002","75.619","0.002","69.263","0.002","1040.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 F2 N2 O4 -","- C22 H20 F2 N2 O4 -","- C44 H40 F4 N4 O8 -","2","1","","Tang, Luning; Huang, Hai; Xi, Yang; He, Guangke; Zhu, Hongjun","Pd/Cu-Catalyzed tandem head-to-tail dimerization/cycloisomerization of terminal ynamides for the synthesis of 5-vinyloxazolones.","Organic & biomolecular chemistry","2017","15","14","2923","2930","10.1039/c7ob00381a","","","0.71073","MoKα","","0.0611","0.0473","","","0.1178","0.1263","","","","","","1.031","","","","has coordinates","196516","2020-10-21","18:00:00",""
"7155525","10.797","0.013","11.711","0.015","12.514","0.015","113.344","0.017","96.823","0.019","113.413","0.019","1259","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Tang, Luning; Huang, Hai; Xi, Yang; He, Guangke; Zhu, Hongjun","Pd/Cu-Catalyzed tandem head-to-tail dimerization/cycloisomerization of terminal ynamides for the synthesis of 5-vinyloxazolones.","Organic & biomolecular chemistry","2017","15","14","2923","2930","10.1039/c7ob00381a","","","0.71073","MoKα","","0.1161","0.0995","","","0.2702","0.2767","","","","","","1.165","","","","has coordinates","196516","2020-10-21","18:00:00",""
"7155526","12.4653","0.0016","8.3351","0.0011","16.192","0.002","90","","110.902","0.002","90","","1571.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4S)-4-(4-chlorobenzoyl)-2-methylhexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C68 H68 Cl4 N8 O12 -","4","1","","Reddy, Chada Narsimha; Sathish, Manda; Adhikary, Susanta; Nanubolu, Jagadeesh Babu; Alarifi, Abdullah; Maurya, Ram Awatar; Kamal, Ahmed","Phenacyl azides as efficient intermediates: one-pot synthesis of pyrrolidines and imidazoles.","Organic & biomolecular chemistry","2017","15","13","2730","2733","10.1039/c7ob00299h","","","0.71073","MoKα","","0.0558","0.0463","","","0.1279","0.1368","","","","","","1.038","","","","has coordinates","195170","2020-10-21","18:00:00",""
"7155527","10.433","0.002","11.252","0.002","11.15","0.002","90","","101.21","0.03","90","","1283.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0656","0.0514","","","0.1057","0.1141","","","","","","1.05","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155528","6.953","0.0014","11.068","0.002","16.703","0.003","90","","90","","90","","1285.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0551","0.0418","","","0.0923","0.0992","","","","","","0.995","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155529","10.3207","0.0002","17.168","0.0004","10.4198","0.0002","90","","96.038","0.001","90","","1836","0.07","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl (1-((3r,5r,7r)-adamantan-1-yl)but-3-en-1-yl)carbamate","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","x-ray","1.54178","CuKα","","0.0326","0.0323","","","0.0897","0.09","","","","","","1.058","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155530","10.6735","0.0007","11.9007","0.0008","14.2306","0.0009","90","","90","","90","","1807.6","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-((3r,5r,7r)-adamantan-1-yl)-6-(bromomethyl)-2-(tert-butoxy)-5,6-dihydro-4H-1,3-oxazine","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C76 H120 Br4 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0379","0.0298","","","0.0651","0.068","","","","","","1.007","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155531","8.3872","0.0017","10.676","0.002","28.705","0.006","90","","90","","90","","2570.3","0.9","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.1119","0.0784","","","0.1837","0.1994","","","","","","1.081","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155532","14.4594","0.0015","5.6092","0.0006","15.0823","0.0015","90","","105.035","0.002","90","","1181.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Mtiraoui, Hasan; Renault, Kevin; Sanselme, Morgane; Msaddek, Moncef; Renard, Pierre-Yves; Sabot, Cyrille","Metal-free oxidative ring contraction of benzodiazepinones: an entry to quinoxalinones.","Organic & biomolecular chemistry","2017","15","14","3060","3068","10.1039/c7ob00205j","","x-ray","0.71073","MoKα","","0.0457","0.0417","","","0.1096","0.1131","","","","","","1.073","","","","has coordinates","196513","2020-10-21","18:00:00",""
"7155533","8.2056","0.0001","11.9665","0.0002","13.8857","0.0002","90","","90","","90","","1363.47","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(7S,8aS)-octahydro-5,5-dimethylindolizin-7-ol 9, acetic acid salt monohydrate","","- C12 H25 N O4 -","- C12 H25 N O4 -","- C48 H100 N4 O16 -","4","1","","Zhang, Jing; Kolluri, Rao; Alvarez, Salvador G.; Irving, Mark M.; Singh, Rajinder; Duncton, Matthew A. J.","Enantioselective synthesis of an octahydroindolizine (indolizidine) alcohol using an enzymatic resolution.","Organic & biomolecular chemistry","2017","15","14","2953","2961","10.1039/c7ob00192d","","","1.54178","CuKα","","0.0388","0.038","","","0.1016","0.1031","","","","","","1.079","","","","has coordinates","196512","2020-10-21","18:00:00",""
"7155534","12.8722","0.0005","6.6204","0.0002","20.7083","0.0008","90","","92.069","0.002","90","","1763.59","0.11","110.15","","110.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (1aS,2S,3R,3aR,6aS,6bS)-4-oxo-5-tosyloctahydro-2,6a-epoxyoxireno[2,3-e]isoindole-3-carboxylate","","- C18 H19 N O7 S -","- C18 H19 N O7 S -","- C72 H76 N4 O28 S4 -","4","2","","Abbasov, Mikail E.; Hudson, Brandi M.; Kong, Weixu; Tantillo, Dean J.; Romo, Daniel","Enantioselective Diels-Alder-lactamization organocascades employing a furan-based diene.","Organic & biomolecular chemistry","2017","15","15","3179","3183","10.1039/c6ob02738e","","","1.54178","CuKα","","0.0428","0.037","","","0.0966","0.1092","","","","","","1.116","","","","has coordinates,has disorder","196518","2020-10-21","18:00:00",""
"7155535","15.0497","0.0007","11.1392","0.0005","16.514","0.005","90","","90","","90","","2768.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Methyl-2-nitro-7,8-dihydro-5H-benzo[i]pyrido[3,2-b][1,4,7]oxadiazecin-9(6H)-one","","- C15 H14 N4 O4 -","- C15 H13 N4 O4 -","- C120 H104 N32 O32 -","8","1","","Sapegin, Alexander; Osipyan, Angelina; Krasavin, Mikhail","Structurally diverse arene-fused ten-membered lactams accessed via hydrolytic imidazoline ring expansion.","Organic & biomolecular chemistry","2017","15","14","2906","2909","10.1039/c7ob00535k","","","0.71073","MoKα","","0.0532","0.0415","","","0.0967","0.1032","","","","","","1.062","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7155537","21.0174","0.0006","9.9144","0.0002","26.3443","0.0008","90","","104.108","0.003","90","","5323.9","0.3","289","2","289","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H19 Cl9 O6 -","- C77 H19 Cl9 O6 -","- C308 H76 Cl36 O24 -","4","1","","Wang, Jun-Jie; Lin, Hao-Sheng; Niu, Chuang; Wang, Guan-Wu","The cyclopropanation of [60]fullerobenzofurans via electrosynthesis.","Organic & biomolecular chemistry","2017","15","15","3248","3254","10.1039/c7ob00463j","","","1.54184","CuKα","","0.1249","0.0977","","","0.2206","0.241","","","","","","1.093","","","","has coordinates,has disorder","196523","2020-10-21","18:00:00",""
"7155538","12.4334","0.0005","10.216","0.0004","16.6743","0.0007","90","","99.832","0.004","90","","2086.86","0.15","293","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3i","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Zhang, Zhen; Li, Cheng; Wang, Shao-Hua; Zhang, Fu-Min; Han, Xue; Tu, Yong-Qiang; Zhang, Xiao-Ming","Tandem SN2' nucleophilic substitution/oxidative radical cyclization of aryl substituted allylic alcohols with 1,3-dicarbonyl compounds.","Organic & biomolecular chemistry","2017","15","15","3239","3247","10.1039/c7ob00620a","","","0.7107","MoKα","","0.0796","0.0546","","","0.1282","0.1468","","","","","","1.029","","","","has coordinates","196517","2020-10-21","18:00:00",""
"7155539","11.4563","0.0005","18.7494","0.0008","9.4799","0.0003","90","","90.253","0.003","90","","2036.25","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Mardjan, M. I. D.; Perie, S.; Parrain, J.-L.; Commeiras, L.","A tunable copper-catalyzed multicomponent reaction towards alkaloid-inspired indole/lactam polycycles.","Organic & biomolecular chemistry","2017","15","15","3304","3309","10.1039/c7ob00532f","","x-ray","0.71073","MoKα","","0.0901","0.0644","","","0.1618","0.1772","","","","","","1.033","","","","has coordinates","196522","2020-10-21","18:00:00",""
"7155540","12.7853","0.0006","15.0292","0.0008","19.3138","0.0013","90","","107.062","0.006","90","","3547.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N4 O2 -","- C40 H48 N4 O2 -","- C160 H192 N16 O8 -","4","1","","Mardjan, M. I. D.; Perie, S.; Parrain, J.-L.; Commeiras, L.","A tunable copper-catalyzed multicomponent reaction towards alkaloid-inspired indole/lactam polycycles.","Organic & biomolecular chemistry","2017","15","15","3304","3309","10.1039/c7ob00532f","","x-ray","0.71073","MoKα","","0.1347","0.0709","","","0.1481","0.1756","","","","","","1.027","","","","has coordinates,has disorder","196522","2020-10-21","18:00:00",""
"7155541","11.776","0.0009","8.4171","0.0006","13.9685","0.0011","90","","114.786","0.003","90","","1257.01","0.17","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,5-dimethoxy-2-((R)-2-nitro-1-phenylethyl)phenyl ((1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C26 H31 N O8 S -","- C26 H31 N O8 S -","- C52 H62 N2 O16 S2 -","2","1","","Han, Xiaoyu; Ye, Can; Chen, Fenfen; Chen, Qu; Wang, Yongjiang; Zeng, Xiaofei","A highly enantioselective Friedel-Crafts reaction of 3,5-dimethoxylphenol with nitroolefins mediated by a bifunctional quinine derived thiourea catalyst.","Organic & biomolecular chemistry","2017","15","16","3401","3407","10.1039/c7ob00372b","","","0.71073","MoKα","","0.0463","0.0428","","","0.103","0.1124","","","","","","1.144","","","","has coordinates","196509","2020-10-21","18:00:00",""
"7155542","10.0601","0.0008","15.2849","0.0012","15.3621","0.0011","90","","90.477","0.003","90","","2362.1","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-(1R,2S)-Diethyl 3,3,3-trifluoro-1,2-dihydroxypropylphosphonate","","- C7 H14 F3 O5 P -","- C7 H14 F3 O5 P -","- C56 H112 F24 O40 P8 -","8","2","","Pallitsch, K.; Schweifer, A.; Roller, A.; Hammerschmidt, F.","Towards the biodegradation pathway of fosfomycin.","Organic & biomolecular chemistry","2017","15","15","3276","3285","10.1039/c7ob00546f","","x-ray","0.71073","MoKα","","0.0725","0.0657","","","0.1566","0.1615","","","","","","1.084","","","","has coordinates,has disorder","196519","2020-10-21","18:00:00",""
"7155543","8.1889","0.0003","10.3419","0.0005","10.9166","0.0004","105.058","0.004","98.466","0.003","99.563","0.003","862.59","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","1","","Majee, Debashis; Biswas, Soumen; Mobin, Shaikh M.; Samanta, Sampak","Domino reaction of cyclic sulfamidate imines with Morita-Baylis-Hillman acetates promoted by DABCO: a metal-free approach to functionalized nicotinic acid derivatives.","Organic & biomolecular chemistry","2017","15","15","3286","3297","10.1039/c7ob00240h","","","0.71073","MoKα","","0.0967","0.0624","","","0.1619","0.1867","","","","","","1.07","","","","has coordinates","196520","2020-10-21","18:00:00",""
"7155544","12.74606","0.00016","10.64439","0.00015","19.7255","0.0003","90","","98.7804","0.0013","90","","2644.87","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Cl N2 P Ru -","- C27 H42 Cl N2 P Ru -","- C108 H168 Cl4 N8 P4 Ru4 -","4","1","","Chang, Weihong; Gong, Xue; Wang, Shuizhong; Xiao, Ling-Ping; Song, Guoyong","Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes.","Organic & biomolecular chemistry","2017","15","16","3466","3471","10.1039/c7ob00542c","","","0.71073","MoKα","","0.034","0.0285","","","0.0598","0.0626","","","","","","1.051","","","","has coordinates","196510","2020-10-21","18:00:00",""
"7155545","10.128","0.003","12.566","0.003","13.275","0.004","83.199","0.005","84.143","0.005","68.651","0.004","1559.3","0.8","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H48 N2 Na P Ru -","- C33 H48 N2 Na P Ru -","- C66 H96 N4 Na2 P2 Ru2 -","2","1","","Chang, Weihong; Gong, Xue; Wang, Shuizhong; Xiao, Ling-Ping; Song, Guoyong","Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes.","Organic & biomolecular chemistry","2017","15","16","3466","3471","10.1039/c7ob00542c","","","0.71073","MoKα","","0.077","0.0557","","","0.1317","0.1425","","","","","","0.982","","","","has coordinates","196510","2020-10-21","18:00:00",""
"7155546","10.9813","0.0014","26.815","0.004","14.946","0.002","90","","90.512","0.013","90","","4400.9","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 N4 O4 S2 -","- C51 H44 N4 O4 S2 -","- C204 H176 N16 O16 S8 -","4","1","","Zhao, Yingying; Hu, Yancheng; Li, Xincheng; Wan, Boshun","Tf2NH-catalyzed formal [3 + 2] cycloaddition of oxadiazolones with ynamides: a simple access to aminoimidazoles.","Organic & biomolecular chemistry","2017","15","16","3413","3417","10.1039/c7ob00701a","","","0.71073","MoKα","","0.2753","0.0814","","","0.1463","0.228","","","","","","0.947","","","","has coordinates","196508","2020-10-21","18:00:00",""
"7155549","13.8048","0.0003","15.2327","0.0003","15.2102","0.0004","90","","90","","90","","3198.47","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Bai, Siyi; Chen, Xun; Hu, Xinwei; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","An Ir(iii)-catalyzed aryl C-H bond carbenoid functionalization cascade: access to 1,3-dihydroindol-2-ones.","Organic & biomolecular chemistry","2017","15","17","3638","3647","10.1039/c7ob00367f","","","1.54184","CuKα","","0.0443","0.0385","","","0.1018","0.1066","","","","","","1.054","","","","has coordinates","196505","2020-10-21","18:00:00",""
"7155550","5.7144","0.0013","12.03","0.003","12.5875","0.0012","92.05","0.014","92.677","0.013","90.37","0.02","863.8","0.3","198","15","198","15","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 F O S -","- C22 H15 F O S -","- C44 H30 F2 O2 S2 -","2","1","","Yang, Xiaodong; Yan, Rulong","A method for accessing sulfanylfurans from homopropargylic alcohols and sulfonyl hydrazides.","Organic & biomolecular chemistry","2017","15","17","3571","3574","10.1039/c7ob00566k","","x-ray","0.71073","MoKα","","0.1215","0.0619","","","0.1214","0.1656","","","","","","1.061","","","","has coordinates","196506","2020-10-21","18:00:00",""
"7155551","8.8343","0.0004","10.9242","0.0005","10.9439","0.0005","103.635","0.002","97.925","0.002","91.114","0.002","1015.12","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Z)-diethyl 1-acetyl-5-benzylidene-4-(trifluoromethyl)pyrrolidine-2,2-dicarboxylate","","- C20 H22 F3 N O5 -","- C20 H22 F3 N O5 -","- C40 H44 F6 N2 O10 -","2","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0699","0.0476","","","0.127","0.1526","","","","","","1.073","","","","has coordinates","194918","2020-10-21","18:00:00",""
"7155552","10.7953","0.001","21.8368","0.0019","9.4439","0.0008","90","","113.58","0.002","90","","2040.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diethyl 2-acetamido-2-(2-(difluoromethylene)-4-phenylbut-3-yn-1-yl)malonate","","- C20 H21 F2 N O5 -","- C20 H21 F2 N O5 -","- C80 H84 F8 N4 O20 -","4","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0788","0.0449","","","0.1094","0.1313","","","","","","1.028","","","","has coordinates","194918","2020-10-21","18:00:00",""
"7155553","5.6783","0.0002","18.1808","0.0007","34.1983","0.0014","90","","90","","90","","3530.5","0.2","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Lian, Xiao-Lei; Adili, Alafate; Liu, Bin; Tao, Zhong-Lin; Han, Zhi-Yong","Enantioselective [4 + 1] cycloaddition of ortho-quinone methides and bromomalonates under phase-transfer catalysis.","Organic & biomolecular chemistry","2017","15","17","3670","3673","10.1039/c7ob00484b","","","1.54184","CuKα","","0.0592","0.0542","","","0.1417","0.1465","","","","","","1.034","","","","has coordinates","196500","2020-10-21","18:00:00",""
"7155560","11.8441","0.0004","11.9103","0.0005","13.4579","0.0005","90","","90","","90","","1898.46","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Chung, Min-Ching; Chan, Yung-Hsiang; Chang, Wen-Jung; Hou, Duen-Ren","Synthesis of 2,3-dihydro-1H-pyrroles by intramolecular cyclization of N-(3-butynyl)-sulfonamides.","Organic & biomolecular chemistry","2017","15","17","3783","3790","10.1039/c7ob00528h","","","0.71073","MoKα","","0.0544","0.0379","","","0.0808","0.0882","","","","","","1.027","","","","has coordinates","196501","2020-10-21","18:00:00",""
"7155561","9.35","0.004","8.514","0.003","18.643","0.007","90","","103.789","0.018","90","","1441.3","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","","Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.","Organic & biomolecular chemistry","2017","15","17","3616","3627","10.1039/c7ob00529f","","","0.71073","MoKα","","0.0928","0.0536","","","0.1183","0.1503","","","","","","0.975","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7155562","7.199","0.003","13.738","0.005","30.836","0.012","90","","90","","90","","3050","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","","Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.","Organic & biomolecular chemistry","2017","15","17","3616","3627","10.1039/c7ob00529f","","","0.71075","MoKα","","0.0625","0.0539","","","0.1276","0.1344","","","","","","1.017","","","","has coordinates","196504","2020-10-21","18:00:00",""
"7155563","12.0052","0.001","9.6664","0.0006","15.8157","0.0012","90","","96.318","0.008","90","","1824.2","0.2","105.3","","105.3","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0456","0.0404","","","0.107","0.1142","","","","","","1.036","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155564","9.9108","0.0003","9.8191","0.0003","18.3013","0.0006","90","","91.679","0.003","90","","1780.23","0.1","104.6","","104.6","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0597","0.0579","","","0.1552","0.1572","","","","","","1.099","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155570","5.5901","0.0001","10.1207","0.0002","40.4585","0.0008","90","","90","","90","","2288.97","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-Ethyl 4-(4-iodophenyl)-1-(4-methoxybenzyl)-2-methyl-1,4-dihydroquinoline-3-carboxylate","","- C27 H26 I N O3 -","- C27 H26 I N O3 -","- C108 H104 I4 N4 O12 -","4","1","","Hodík, Tomáš; Schneider, Christoph","Brønsted acid-catalyzed, enantioselective synthesis of 1,4-dihydroquinoline-3-carboxylates via in situ generated ortho-quinone methide imines.","Organic & biomolecular chemistry","2017","15","17","3706","3716","10.1039/c7ob00488e","","x-ray","0.71073","MoKα","","0.0298","0.0262","","","0.0496","0.0509","","","","","","1.052","","","","has coordinates","196503","2020-10-21","18:00:00",""
"7155608","18.0647","0.0012","10.9779","0.0008","15.0137","0.001","90","","109.868","0.008","90","","2800.2","0.4","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","anti-5,17-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,20-dimethoxy[2.6]metacyclophane","","- C32 H46 O3 -","- C32 H46 O3 -","- C128 H184 O12 -","4","0.5","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.2006","0.145","","","0.3909","0.4263","","","","","","1.417","","","","has coordinates","196254","2020-10-21","18:00:00",""
"7155609","18.51","0.0018","11.9741","0.0012","14.7028","0.0015","90","","113.069","0.008","90","","2998.1","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","syn-5,19-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,22-dimethoxy[2.8]metacyclophane","","- C34 H50 O2 -","- C34 H50 O2 -","- C136 H200 O8 -","4","0.5","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.2485","0.1471","","","0.3076","0.3461","","","","","","1.371","","","","has coordinates,has disorder","196254","2020-10-21","18:00:00",""
"7155610","10.8892","0.0005","14.598","0.0006","17.6382","0.0008","90","","91.421","0.006","90","","2802.9","0.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","anti-5,17-di-tert-butyl-8,20-dimethoxy-1,2-dimethyl[2.6]metacyclophan-1-ene","","- C32 H46 O2 -","- C32 H46 O2 -","- C128 H184 O8 -","4","1","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.1669","0.1036","","","0.245","0.2843","","","","","","1.033","","","","has coordinates,has disorder","196254","2020-10-21","18:00:00",""
"7155611","9.78317","0.00018","17.0949","0.0003","18.4711","0.0004","90","","104.725","0.007","90","","2987.69","0.14","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","syn-5,19-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,22-dimethoxy[2.8]metacyclophane","","- C34 H50 O3 -","- C34 H50 O3 -","- C136 H200 O12 -","4","1","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.0595","0.047","","","0.1049","0.116","","","","","","1.077","","","","has coordinates","196254","2020-10-21","18:00:00",""
"7155612","8.109","0.0002","9.145","0.0002","9.2939","0.0002","90","","96.4248","0.0006","90","","684.88","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C32 H40 N4 O2 -","2","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0258","0.0254","","","0.0657","0.0662","","","","","","1.045","","","","has coordinates","196255","2020-10-21","18:00:00",""
"7155613","5.8639","0.0001","8.5853","0.0002","29.2551","0.0006","90","","90","","90","","1472.8","0.05","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0361","0.0354","","","0.0902","0.0909","","","","","","1.253","","","","has coordinates,has disorder","196255","2020-10-21","18:00:00",""
"7155614","15.1844","0.0005","20.725","0.0006","6.8775","0.0002","90","","100.961","0.001","90","","2124.84","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H11 B0.5 F N O0.5 -","- C13.5 H11 B0.5 F N O0.5 -","- C108 H88 B4 F8 N8 O4 -","8","1","","Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan","BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.","Organic & biomolecular chemistry","2017","15","15","3188","3191","10.1039/c7ob00586e","","","1.54178","CuKα","","0.0501","0.045","","","0.1214","0.1271","","","","","","1.029","","","","has coordinates","196256","2020-10-21","18:00:00",""
"7155615","8.3338","0.0009","12.5679","0.0014","14.0639","0.0016","87.509","0.005","81.274","0.005","75.494","0.005","1409.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.25 H29.5 B Cl0.5 F2 N2 O4 -","- C31.25 H29.5 B Cl0.5 F2 N2 O4 -","- C62.5 H59 B2 Cl F4 N4 O8 -","2","1","","Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan","BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.","Organic & biomolecular chemistry","2017","15","15","3188","3191","10.1039/c7ob00586e","","","1.54178","CuKα","","0.0945","0.0822","","","0.2314","0.2449","","","","","","1.081","","","","has coordinates,has disorder","196256","2020-10-21","18:00:00",""
"7157220","6.07381","0.00017","10.7631","0.0003","19.448","0.0005","90","","90","","90","","1271.37","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F5 N2 O S -","- C13 H9 F5 N2 O S -","- C52 H36 F20 N8 O4 S4 -","4","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.0278","0.0258","","","0.064","0.0649","","","","","","1.021","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157221","16.2237","0.0016","5.6641","0.0003","16.3505","0.0013","90","","119.308","0.012","90","","1310.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F5 N2 O S -","- C13 H9 F5 N2 O S -","- C52 H36 F20 N8 O4 S4 -","4","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.1168","0.0565","","","0.1006","0.1186","","","","","","1.024","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157222","6.3732","0.0003","12.03","0.0007","12.4738","0.0006","67.624","0.005","79.476","0.004","87.476","0.005","869.13","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 F5 Fe N O S -","- C19 H14 F5 Fe N O S -","- C38 H28 F10 Fe2 N2 O2 S2 -","2","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.1048","0.0553","","","0.1097","0.1262","","","","","","1.011","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157223","28.9645","0.0011","9.2222","0.0004","13.5088","0.0006","90","","102.331","0.004","90","","3525.2","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F5 Fe N O S -","- C19 H14 F5 Fe N O S -","- C152 H112 F40 Fe8 N8 O8 S8 -","8","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.089","0.0506","","","0.0967","0.1089","","","","","","1.012","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7203674","11.923","0.002","12.551","0.002","25.711","0.005","90","","90","","90","","3847.5","1.2","175","2","175","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H62 Al3 F O9 S -","- C26 H62 Al3 F O9 S -","- C104 H248 Al12 F4 O36 S4 -","4","1","","Stephan K. Ruediger; Udo Groß; Michael Feist; Hillary A. Prescott; S. Chandra Shekar; Sergey I. Troyanov; Erhard Kemnitz","Non-aqueous synthesis of high surface area aluminium fluoride-a mechanistic investigation","Journal of Materials Chemistry","2005","15","5","588","","10.1039/b411457d","","","0.71073","MoKα","","0.0539","0.0365","","","0.0774","0.0815","","","","","","0.795","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203677","12.7434","0.0009","15.6535","0.0011","17.7496","0.0013","90.56","0.01","95.93","0.01","107.64","0.01","3353","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7-Bis{4-[2-(4-dodecyloxyphenyl)-1,3,4-oxadiazol-5-yl]phenyl}- 9,9-dihexylfluorene","","- C77 H98 N4 O4 -","- C77 H98 N4 O4 -","- C154 H196 N8 O8 -","2","1","","Oyston, Stephen; Wang, Changsheng; Hughes, Gregory; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Pearson, Christopher; Petty, Michael C.","New 2,5-diaryl-1,3,4-oxadiazole?fluorene hybrids as electron transporting materials for blended-layer organic light emitting diodes","Journal of Materials Chemistry","2005","15","1","194","","10.1039/b413066a","","","0.71073","MoKα","","0.1057","0.0573","","","0.1179","0.1402","","","","","","1.008","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203678","29.331","0.002","12.128","0.001","41.706","0.003","90","","108.896","0.002","90","","14036.4","1.8","140","1","140","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 1","","","- C80 H112 Cl In N8 -","- C80 H77 Cl In N8 -","- C640 H616 Cl8 In8 N64 -","8","1","","Aurélien Auger; Paul M. Burnham; Isabelle Chambrier; Michael J. Cook; David L. Hughes","X-Ray crystallographic studies of three substituted indium(iii) phthalocyanines: effect of ring substitution and the axial ligand on molecular geometry and packing","Journal of Materials Chemistry","2005","15","1","168","","10.1039/b413189b","","","0.71073","Mo-Kα","","0.064","0.0577","","","0.1393","0.1432","","","","","","1.164","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203679","12.873","0.003","17.91","0.004","17.642","0.004","102.92","0.03","93.73","0.03","90.5","0.03","3955","1.6","293","1","293","1","","","","","","","","5","P -1","-P 1","2","Compound 2","","","- C86 H116 F In N8 -","- C86 H90 F In N8 -","- C172 H180 F2 In2 N16 -","2","1","","Aurélien Auger; Paul M. Burnham; Isabelle Chambrier; Michael J. Cook; David L. Hughes","X-Ray crystallographic studies of three substituted indium(iii) phthalocyanines: effect of ring substitution and the axial ligand on molecular geometry and packing","Journal of Materials Chemistry","2005","15","1","168","","10.1039/b413189b","","","0.71073","Mo-Kα","","0.1582","0.0645","","","0.1279","0.1596","","","","","","0.935","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203680","12.694","0.003","17.033","0.003","17.996","0.004","108.54","0.03","103.32","0.03","92.96","0.03","3556.8","1.6","140","1","140","1","","","","","","","","7","P -1","-P 1","2","Compound 3","","","- C76 H103 Br Cl In N8 O2 -","- C76 H103 Br Cl In N8 O2 -","- C152 H206 Br2 Cl2 In2 N16 O4 -","2","1","","Aurélien Auger; Paul M. Burnham; Isabelle Chambrier; Michael J. Cook; David L. Hughes","X-Ray crystallographic studies of three substituted indium(iii) phthalocyanines: effect of ring substitution and the axial ligand on molecular geometry and packing","Journal of Materials Chemistry","2005","15","1","168","","10.1039/b413189b","","","0.71073","Mo-Kα","","0.1258","0.0682","","","0.1707","0.1885","","","","","","0.936","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203681","10.0229","0.0002","5.958","0.0001","34.9009","0.0006","90","","90","","90","","2084.16","0.07","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H9 Cd O6 P -","- C8 Cd O6 P -","- C64 Cd8 O48 P8 -","8","2","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.0728","0.0476","","","0.1371","0.1519","","","","","","1.116","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203682","4.5914","0.0006","5.981","0.0008","17.811","0.003","81.513","0.016","86.272","0.016","82.251","0.015","478.83","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Copper di(4-methylene-hydrogenphosphono-benzoic acid)-di-hydrate","","","- C16 H20 Cu O12 P2 -","- C16 H20 Cu O12 P2 -","- C16 H20 Cu O12 P2 -","1","0.5","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.0904","0.0395","","","0.0658","0.075","","","","","","0.809","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203683","4.6198","0.0001","5.9379","0.0002","18.0676","0.0002","83.119","0.002","88.307","0.002","84.461","0.002","489.68","0.02","293","2","200","","","","","","","","","5","P -1","-P 1","2","","Manganese di(4-methylene-hydrogenphosphono-benzoic acid)-di-hydrate","","- C16 H20 Mn O12 P2 -","- C16 H20 Mn O12 P2 -","- C16 H20 Mn O12 P2 -","1","0.5","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.0519","0.0347","","","0.0783","0.0843","","","","","","1.057","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203684","9.8261","0.0001","5.8393","0.0001","35.252","0.0004","90","","90","","90","","2022.67","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H9 Mn O6 P -","- C8 Mn O6 P -","- C64 Mn8 O48 P8 -","8","2","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.1063","0.0736","","","0.205","0.2288","","","","","","1.107","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203685","7.1061","0.0008","5.9558","0.0007","34.129","0.004","90","","90","","90","","1444.4","0.3","160","2","160","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2-bis(4'-carbomethoxyphenyl)ethyne","1,2-bis(4'-carbomethoxyphenyl)ethyne","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","0.5","","Tolulope M. Fasina; Jonathan C. Collings; Jacqueline M. Burke; Andrei S. Batsanov; Richard M. Ward; David Albesa-Jové; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Andrew J. Scott; William Clegg; Stephen W. Watt; Christopher Viney; Todd B. Marder","Synthesis, optical properties, crystal structures and phase behaviour of symmetric, conjugated ethynylarene-based rigid rods with terminal carboxylate groups","Journal of Materials Chemistry","2005","15","6","690","","10.1039/b413514h","","","0.71073","MoKα","","0.0512","0.0405","","","0.1065","0.112","","","","","","1.085","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203686","7.0249","0.0005","10.4613","0.0008","11.7016","0.0008","75.204","0.003","72.585","0.003","75.457","0.003","778.97","0.1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1,4-Bis(4-carbomethoxyphenyl)butadiyne","1,4-Bis(4-carbomethoxyphenyl)butadiyne","","- C20 H14 O4 -","- C20 H14 O4 -","- C40 H28 O8 -","2","1","","Tolulope M. Fasina; Jonathan C. Collings; Jacqueline M. Burke; Andrei S. Batsanov; Richard M. Ward; David Albesa-Jové; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Andrew J. Scott; William Clegg; Stephen W. Watt; Christopher Viney; Todd B. Marder","Synthesis, optical properties, crystal structures and phase behaviour of symmetric, conjugated ethynylarene-based rigid rods with terminal carboxylate groups","Journal of Materials Chemistry","2005","15","6","690","","10.1039/b413514h","","","0.71073","MoKα","","0.0718","0.0551","","","0.1307","0.1406","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203687","7.225","0.001","11.66","0.001","15.381","0.001","77.343","0.001","83.037","0.001","72.026","0.001","1200.6","0.2","110","2","110","2","","","","","","","","3","P -1","-P 1","2","9,10-bis(4'-carbomethoxyphenylethynyl)anthracene","9,10-bis(4'-carbomethoxyphenylethynyl)anthracene","","- C34 H22 O4 -","- C34 H22 O4 -","- C68 H44 O8 -","2","1","","Tolulope M. Fasina; Jonathan C. Collings; Jacqueline M. Burke; Andrei S. Batsanov; Richard M. Ward; David Albesa-Jové; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Andrew J. Scott; William Clegg; Stephen W. Watt; Christopher Viney; Todd B. Marder","Synthesis, optical properties, crystal structures and phase behaviour of symmetric, conjugated ethynylarene-based rigid rods with terminal carboxylate groups","Journal of Materials Chemistry","2005","15","6","690","","10.1039/b413514h","","","0.71073","MoKα","","0.0592","0.04","","","0.1075","0.12","","","","","","1.019","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203688","11.254","0.0002","11.9432","0.0002","23.8124","0.0007","90","","90","","90","","3200.6","0.12","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N2 O3 -","- C16 H23 N2 O3 -","- C128 H184 N16 O24 -","8","1","","Christophe Stroh; Raymond Ziessel; Gabriele Raudaschl-Sieber; Frank H. Köhler; Philippe Turek","Intramolecular exchange interactions in non-aromatic bis-nitronyl-nitroxides","Journal of Materials Chemistry","2005","15","8","850","","10.1039/b414284e","","","0.71073","Mo-Kα","","0.089","0.037","","0.51","","0.058","","","8.845","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203689","7.0087","0.0004","16.27","0.001","10.3874","0.0005","90","","99.244","0.004","90","","1169.11","0.11","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 N4 O4 -","- C22 H34 N4 O4 -","- C44 H68 N8 O8 -","2","0.5","","Christophe Stroh; Raymond Ziessel; Gabriele Raudaschl-Sieber; Frank H. Köhler; Philippe Turek","Intramolecular exchange interactions in non-aromatic bis-nitronyl-nitroxides","Journal of Materials Chemistry","2005","15","8","850","","10.1039/b414284e","","","0.71073","Mo-Kα","","0.087","0.048","","0.081","","0.076","","","1.597","","","1.556","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203690","10.319","0.0006","9.7704","0.0008","12.362","0.0008","90","","113.394","0.006","90","","1143.89","0.15","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N4 O4 -","- C22 H24 N4 O4 -","- C44 H48 N8 O8 -","2","0.5","","Christophe Stroh; Raymond Ziessel; Gabriele Raudaschl-Sieber; Frank H. Köhler; Philippe Turek","Intramolecular exchange interactions in non-aromatic bis-nitronyl-nitroxides","Journal of Materials Chemistry","2005","15","8","850","","10.1039/b414284e","","","0.71073","Mo-Kα","","0.112","0.056","","0.106","","0.072","","","1.573","","","1.114","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203691","12.0367","0.0011","20.9059","0.0018","8.6999","0.0008","90","","90","","90","","2189.2","0.3","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","2,4,6-tris(4-fluorobenzylamino)-1,3,5-triazine","2,4,6-tris(4-fluorobenzylamino)-1,3,5-triazine","","- C24 H21 F3 N6 -","- C24 H21 F3 N6 -","- C96 H84 F12 N24 -","4","1","","Srinivas, K.; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash, K.; Ravikumar, K.; Anthony, S. Philip; Radhakrishnan, T. P.","First hyperpolarizability of some nonconjugated donor?acceptor 3D molecules: noncentrosymmetric crystal through conformational flexibility","Journal of Materials Chemistry","2005","15","9","965","","10.1039/b414311f","","","0.71073","MoKα","","0.0741","0.0456","","","0.0962","0.1085","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203692","11.2451","0.0005","11.7178","0.0005","14.2394","0.0006","106.876","0.001","91.234","0.001","100.583","0.001","1759.35","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H35 Ir N2 O2 -","- C47 H35 Ir N2 O2 -","- C94 H70 Ir2 N4 O4 -","2","1","","Wu, Fang-Iy; Su, Huei-Jen; Shu, Ching-Fong; Luo, Liyang; Diau, Wei-Guang; Cheng, Chien-Hong; Duan, Jiun-Pey; Lee, Gene-Hsiang","Tuning the emission and morphology of cyclometalated iridium complexes and their applications to organic light-emitting diodes","Journal of Materials Chemistry","2005","15","10","1035","","10.1039/b415754k","","","0.71073","MoKα","","0.0405","0.0347","","","0.0708","0.0787","","","","","","1.03","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203697","8.8461","0.0016","11.626","0.002","14.915","0.003","90","","91.171","0.003","90","","1533.6","0.5","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H56 As2 In2 -","- C24 H56 As2 In2 -","- C48 H112 As4 In4 -","2","0.5","","Malik, Mohammad Azad; O'Brien, Paul; Helliwell, M.","A new synthesis of InAs quantum dots from [tBu2AsInEt2]2","Journal of Materials Chemistry","2005","15","14","1463","","10.1039/b416944a","","","0.71073","MoKα","","0.0518","0.0449","","","0.1022","0.1057","","","","","","1.112","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203707","10.2341","0.0004","18.9036","0.0008","15.6521","0.0006","90","","105.011","0.001","90","","2924.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Hf N2 O6 -","- C24 H46 Hf N2 O6 -","- C96 H184 Hf4 N8 O24 -","4","1","","Loo, Yim Fun; O'Kane, Ruairi; Jones, Anthony C.; Aspinall, Helen C.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Taylor, Stephen; Smith, Lesley M.","Deposition of HfO2 and ZrO2 films by liquid injection MOCVD using new monomeric alkoxide precursors","Journal of Materials Chemistry","2005","15","19","1896","","10.1039/b417389a","","","0.71073","MoKα","","0.0341","0.0277","","","0.0693","0.0719","","","","","","1.062","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203708","10.2627","0.0009","18.9374","0.0017","15.6465","0.0014","90","","104.772","0.002","90","","2940.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 N2 O6 Zr -","- C24 H46 N2 O6 Zr -","- C96 H184 N8 O24 Zr4 -","4","1","","Loo, Yim Fun; O'Kane, Ruairi; Jones, Anthony C.; Aspinall, Helen C.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Taylor, Stephen; Smith, Lesley M.","Deposition of HfO2 and ZrO2 films by liquid injection MOCVD using new monomeric alkoxide precursors","Journal of Materials Chemistry","2005","15","19","1896","","10.1039/b417389a","","","0.71073","MoKα","","0.0355","0.0309","","","0.0777","0.0799","","","","","","1.018","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203725","8.741","0.0004","11.9042","0.0006","17.1842","0.0006","95.305","0.004","92.646","0.003","95.136","0.004","1770.61","0.14","295","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H37 Cl5 N2 O Os S32 -","- C47 H37 Cl5 N2 O Os S32 -","- C47 H37 Cl5 N2 O Os S32 -","1","0.5","","Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒","Journal of Materials Chemistry","2005","15","25","2476","","10.1039/b419134j","","x-ray","0.71073","Mokα","","0.0474","0.0363","","","0.0793","0.0843","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203726","8.7249","0.0003","10.338","0.0005","11.0927","0.0006","110.41","0.004","98.41","0.004","103.834","0.004","881.06","0.08","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cl5 N O Os S8 -","- C20 H16 Cl5 N O Os S16 -","- C20 H16 Cl5 N O Os S16 -","1","0.5","","Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒","Journal of Materials Chemistry","2005","15","25","2476","","10.1039/b419134j","","x-ray","0.71073","Mokα","","0.0258","0.0247","","","0.063","0.0633","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203727","15.034","0.003","6.728","0.002","35.211","0.006","90","","92.98","0.01","90","","3556.7","1.4","293","2","295","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C44 H35.33 Cl6.66 N2 O2.67 Os1.33 S32 -","- C40 H32 Cl7.016 N1.404 O1.404 Os1.404 S32 -","- C80 H64 Cl14.032 N2.808 O2.808 Os2.808 S64 -","2","0.25","","Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒","Journal of Materials Chemistry","2005","15","25","2476","","10.1039/b419134j","","x-ray","0.71073","Mokα","","0.0836","0.0493","","","0.1389","0.1563","","","","","","1.097","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203728","9.6275","0.0006","11.1599","0.0006","18.064","0.001","101.478","0.005","91.926","0.006","110.894","0.005","1765.31","0.19","293","2","292","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 Cl5 N2 O3 Os S32 -","- C45.976 H36.98 Cl5 N1.996 O2.992 Os S32 -","- C45.976 H36.98 Cl5 N1.996 O2.992 Os S32 -","1","0.5","","Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒","Journal of Materials Chemistry","2005","15","25","2476","","10.1039/b419134j","","x-ray","0.71073","Mokα","","0.039","0.0329","","","0.0793","0.0941","","","","","","1.085","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203729","10.2875","0.0003","20.0546","0.0015","35.513","0.002","90","","93.238","0.005","90","","7315.1","0.7","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Br Fe O13 S32 -","- C52 H37 Br Fe O13 S32 -","- C208 H148 Br4 Fe4 O52 S128 -","4","0.5","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","A novel paramagnetic molecular superconductor formed by bis(ethylenedithio)tetrathiafulvalene, tris(oxalato)ferrate(iii) anions and bromobenzene as guest molecule: ET4[(H3O)Fe(C2O4)3]�C6H5Br","Journal of Materials Chemistry","2005","15","14","1429","","10.1039/b500107m","","","0.71073","MoKα","","0.1086","0.0487","","","0.1089","0.1333","","","","","","1.06","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203738","5.317","0.001","8.265","0.002","12.265","0.003","99.7","0.01","91.54","0.01","89.18","0.01","531.1","0.2","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H34 N4 -","- C26 H34 N4 -","- C26 H34 N4 -","1","0.5","","Kubo, Kanji; Mori, Akira","PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units","Journal of Materials Chemistry","2005","15","27-28","2902","","10.1039/b501361e","","","1.5419","CuKα","","","0.051","","","","0.154","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203739","10.573","0.003","10.677","0.003","15.007","0.004","90","","102.55","0.01","90","","1653.6","0.8","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N6 -","- C40 H36 N6 -","- C80 H72 N12 -","2","0.5","","Kubo, Kanji; Mori, Akira","PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units","Journal of Materials Chemistry","2005","15","27-28","2902","","10.1039/b501361e","","","1.5419","CuKα","","","0.036","","","","0.096","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203740","17.53","0.004","12.1","0.003","13.194","0.003","90","","115.43","0.01","90","","2527.5","1","173.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Cl4 N2 Zn -","- C24 H34 Cl4 N2 Zn -","- C96 H136 Cl16 N8 Zn4 -","4","0.5","","Kubo, Kanji; Mori, Akira","PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units","Journal of Materials Chemistry","2005","15","27-28","2902","","10.1039/b501361e","","","1.5419","CuKα","","","0.035","","","","0.095","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203741","10.283","0.002","14.73","0.003","12.818","0.002","90","","101.67","0.01","90","","1901.4","0.6","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl4 N6 Zn2 -","- C40 H36 Cl4 N6 Zn2 -","- C80 H72 Cl8 N12 Zn4 -","2","0.5","","Kubo, Kanji; Mori, Akira","PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units","Journal of Materials Chemistry","2005","15","27-28","2902","","10.1039/b501361e","","","1.5419","CuKα","","","0.044","","","","0.113","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203747","19.056","0.002","7.536","0.001","13.524","0.001","90","","90","","90","","1942.1","0.4","293","2","293","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C11 H9 O S -","- C11 H9 O S -","- C88 H72 O8 S8 -","8","1","","Leriche, Philippe; Frère, Pierre; Roncali, Jean","Structure‒reactivity relationships in bithiophenic precursors based on the 3-phenoxythiophene building block","Journal of Materials Chemistry","2005","15","34","3473","","10.1039/b502164b","","x-ray","0.71073","MoKα","","0.0776","0.0461","","","0.1163","0.129","","","","","","0.971","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203748","11.9649","0.0009","16.5185","0.0012","20.8305","0.0016","90","","90.886","0.001","90","","4116.5","0.5","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H160 N8 O52 Si8 -","- C38 H106 N8 O52 Si8 -","- C76 H212 N16 O104 Si16 -","2","0.5","","Asuncion, M. Z.; Hasegawa, I.; Kampf, J. W.; Laine, R. M.","The selective dissolution of rice hull ash to form [OSiO1.5]8[R4N]8(R = Me, CH2CH2OH) octasilicates. Basic nanobuilding blocks and possible models of intermediates formed during biosilicification processes","Journal of Materials Chemistry","2005","15","21","2114","","10.1039/b502178b","","","0.71073","MoKα","","0.0973","0.0676","","","0.2122","0.2294","","","","","","1.095","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203762","13.9176","0.0001","13.9176","0.0001","13.9176","0.0001","90","","90","","90","","2695.83","0.03","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C H4 Cl In0.33 N2 O -","- C H4 Cl In0.333333 N2 O -","- C24 H96 Cl24 In8 N48 O24 -","24","1","","Sardar, Kripasindhu; Dan, Meenakshi; Schwenzer, Birgit; Rao, C. N. R.","A simple single-source precursor route to the nanostructures of AlN, GaN and InN","Journal of Materials Chemistry","2005","15","22","2175","","10.1039/b502887f","","","0.71073","MoKα","","0.0245","0.0227","","0.0574","0.0568","","","","1.255","1.288","1.288","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203763","16.495","0.007","16.495","0.007","14.697","0.008","90","","90","","120","","3463","3","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C1.5 H6 Cl0.75 Ga0.25 N3 O1.5 -","- C1.5 H6 Cl0.75 Ga0.25 N3 O1.5 -","- C36 H144 Cl18 Ga6 N72 O36 -","24","2","","Sardar, Kripasindhu; Dan, Meenakshi; Schwenzer, Birgit; Rao, C. N. R.","A simple single-source precursor route to the nanostructures of AlN, GaN and InN","Journal of Materials Chemistry","2005","15","22","2175","","10.1039/b502887f","","","0.71073","MoKα","","0.1613","0.0613","","0.1555","0.1212","","","","1.017","1.198","1.198","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203764","5.254","0.003","14.407","0.004","16.82","0.003","112.813","0.004","90.92","0.04","99.08","0.07","1154.7","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H64 N2 O6 -","- C54 H64 N2 O6 -","- C54 H64 N2 O6 -","1","0.5","","Dautel, Olivier J.; Wantz, Guillaume; Flot, David; Lere-Porte, Jean-Pierre; Moreau, Joël J. E.; Parneix, Jean-Paul; Serein-Spirau, Françoise; Vignau, Laurence","Confined photoactive substructures on a chiral scaffold: the design of an electroluminescent polyimide as material for PLED**","Journal of Materials Chemistry","2005","15","41","4446","","10.1039/b503284a","","x-ray","0.7305","","","0.0691","0.0658","","","0.1746","0.1796","","","","","","0.982","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203767","9.7347","0.0007","9.7347","","7.2531","0.0006","90","","90","","120","","595.25","0.07","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- La1.33 O4.33 Si Sr0.33 -","- La1.33333 O4.33353 Si Sr0.333333 -","- La8 O26.0012 Si6 Sr2 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.11","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203768","9.77167","0.00028","9.77167","","7.21223","0.00021","90","","90","","120","","596.4","0.02","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.56 O4.33 Si -","- La1.56067 O4.33313 Si -","- La9.364 O25.9988 Si6 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.95","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203769","9.8527","0.0017","9.8527","","7.2714","0.0013","90","","90","","120","","611.31","0.15","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge0.5 La1.56 O4.33 Si0.5 -","- Ge0.5 La1.55533 O4.3334 Si0.5 -","- Ge3 La9.332 O26.0004 Si3 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.98","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203770","9.9422","0.0006","9.9422","","7.3358","0.0004","90","","90","","120","","627.98","0.05","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge La1.33 O4.33 Sr0.33 -","- Ge La1.33333 O4.3334 Sr0.333333 -","- Ge6 La8 O26.0004 Sr2 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.4","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203771","9.81164","0.00032","9.81164","","7.23354","0.00024","90","","90","","120","","603.07","0.03","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.56 O4.35 Si -","- La1.56067 O4.35473 Si -","- La9.364 O26.1284 Si6 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.71","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203772","9.91268","0.00012","9.91268","","7.31937","0.0001","90","","90","","120","","622.854","0.011","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge La1.33 O4.33 Sr0.33 -","- Ge La1.33333 O4.33327 Sr0.333333 -","- Ge6 La8 O25.9996 Sr2 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.75","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203773","9.8335","0.0004","9.8335","","7.25285","0.00032","90","","90","","120","","607.37","0.04","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge0.5 La1.56 O4.33 Si0.5 -","- Ge0.5 La1.55533 O4.33327 Si0.5 -","- Ge3 La9.332 O25.9996 Si3 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","2.06","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203774","9.728","0.006","9.728","","7.19","0.004","90","","90","","120","","589.3","0.5","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.55 O4.33 Si -","- La1.55467 O4.33347 Si -","- La9.328 O26.0008 Si6 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","129.07","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203775","9.71191","0.00008","9.71191","","7.23956","0.00007","90","","90","","120","","591.36","0.008","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- La1.33 O4.33 Si Sr0.33 -","- La1.33333 O4.33353 Si Sr0.333333 -","- La8 O26.0012 Si6 Sr2 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.7","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203786","16.5249","0.0019","5.6048","0.0006","17.472","0.002","90","","99.608","0.002","90","","1595.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[4,5-Bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-(4-nitrophenyl)propyne","","- C16 H11 N O6 S2 -","- C16 H11 N O6 S2 -","- C64 H44 N4 O24 S8 -","4","1","","Nielsen, Mogens Brøndsted; Petersen, Jan Conrad; Thorup, Niels; Jessing, Mikkel; Andersson, Asbjørn Sune; Jepsen, Anne Sofie; Gisselbrecht, Jean-Paul; Boudon, Corinne; Gross, Maurice","Acetylenic dithiafulvene derived donor‒π‒acceptor dyads: synthesis, electrochemistry and non-linear optical properties","Journal of Materials Chemistry","2005","15","26","2599","","10.1039/b504124d","","","0.71073","MoKα","","0.0834","0.042","","","0.083","0.0959","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203788","9.8105","0.0002","9.9054","0.0002","17.7854","0.0002","90","","101.771","0.001","90","","1691.99","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cd N2 O5 -","- C18 H12 Cd N2 O5 -","- C72 H48 Cd4 N8 O20 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0356","0.0257","","","0.0651","0.0689","","","","","","1.019","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203789","10.4092","0.0002","19.7245","0.0005","8.4632","0.0002","90","","90","","90","","1737.63","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 Cd N2 O5 -","- C18 H14 Cd N2 O5 -","- C72 H56 Cd4 N8 O20 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0169","0.016","","","0.0369","0.0372","","","","","","1.083","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203790","22.1574","0.0004","10.1982","0.0002","30.7709","0.0002","90","","102.36","0.001","90","","6792","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cd2 N4 O9 -","- C40 H24 Cd2 N4 O9 -","- C320 H192 Cd16 N32 O72 -","8","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0372","0.0267","","","0.0611","0.0655","","","","","","1.068","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203791","9.643","","8.9796","0.0001","21.4183","0.0003","90","","90.759","0.001","90","","1854.45","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O6 Zn -","- C20 H16 N2 O6 Zn -","- C80 H64 N8 O24 Zn4 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0306","0.0261","","","0.0701","0.0722","","","","","","1.045","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203792","6.5021","0.0001","6.9509","0.0002","18.3199","0.0001","90","","90","","90","","827.98","0.03","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C4 H2.5 Cd0.5 O2.5 -","- C4 H2 Cd0.5 O2.5 -","- C32 H16 Cd4 O20 -","8","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0253","0.0221","","","0.061","0.0626","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203793","10.4883","0.0002","13.1483","0.0001","13.1207","0.0002","90","","106.653","0.001","90","","1733.5","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cd N2 O4.5 -","- C20 H12 Cd N2 O4.5 -","- C80 H48 Cd4 N8 O18 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0392","0.0276","","","0.0621","0.0665","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203797","11.4009","0.0007","15.0341","0.0009","22.2413","0.0013","90","","90","","90","","3812.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C160 H248 N8 O16 -","8","2","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0376","0.0344","","","0.0959","0.1001","","","","","","1.114","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203798","9.2246","0.001","10.591","0.0012","10.7338","0.0011","101.767","0.002","113.837","0.002","90.137","0.002","934.84","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C40 H62 N2 O4 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0418","0.0383","","","0.1063","0.1104","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203799","27.352","0.002","8.2035","0.0006","19.4855","0.0014","90","","115.82","0.001","90","","3935.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C168 H240 N16 O32 -","8","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0373","0.0349","","","0.0941","0.0962","","","","","","1.059","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203800","12.5764","0.0013","12.8644","0.0013","12.9625","0.0013","90","","115.3","0.002","90","","1896","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0379","0.0347","","","0.0956","0.0985","","","","","","1.037","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203801","20.7738","0.0015","10.2812","0.0007","35.61","0.003","90","","93.481","0.001","90","","7591.5","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H56 N4 O8 -","- C38 H56 N4 O8 -","- C304 H448 N32 O64 -","8","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0465","0.0407","","","0.1043","0.1092","","","","","","1.021","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203802","20.2474","0.0014","9.7893","0.0007","20.59","0.0014","90","","108.21","0.001","90","","3876.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 N4 O8 -","- C38 H56 N4 O8 -","- C152 H224 N16 O32 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0456","0.0397","","","0.1053","0.1107","","","","","","1.041","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203803","5.7589","0.0008","18.08","0.003","20.055","0.003","90","","90","","90","","2088.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.1238","0.0613","","","0.0958","0.1102","","","","","","0.945","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203804","5.698","0.002","12.825","0.005","15.492","0.006","105.226","0.006","96.024","0.006","96.465","0.006","1074.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Br N O2 -","- C21 H30 Br N O2 -","- C42 H60 Br2 N2 O4 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0798","0.0496","","","0.1298","0.1425","","","","","","1.056","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203805","32.8784","0.0002","9.628","0.0004","26.7125","0.0008","90","","98.853","0.002","90","","8355.2","0.4","233","2","233","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H28 Cu3 N12 S24 Se12 -","- C64 H28 Cu3 N12 S24 Se12 -","- C256 H112 Cu12 N48 S96 Se48 -","4","1","","Dias, João C.; Ribas, Xavi; Morgado, Jorge; Seiça, João; Lopes, Elsa B.; Santos, Isabel C.; Henriques, Rui T.; Almeida, Manuel; Wurst, Klaus; Foury-Leylekian, Pascale; Canadell, Enric; Vidal-Gancedo, José; Veciana, Jaume; Rovira, Concepció","Multistability in a family of DT‒TTF organic radical based compounds (DT‒TTF)4[M(L)2]3 (M = Au, Cu; L = pds, pdt, bdt)","Journal of Materials Chemistry","2005","15","31","3187","","10.1039/b505724h","","","0.71073","MoKα","","0.0764","0.0496","","","0.0888","0.0966","","","","","","1.023","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203806","32.5313","0.0002","9.4923","0.0004","26.3669","0.0007","90","","99.166","0.002","90","","8038.1","0.4","233","2","233","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H28 Cu3 N12 S36 -","- C64 H28 Cu3 N12 S36 -","- C256 H112 Cu12 N48 S144 -","4","1","","Dias, João C.; Ribas, Xavi; Morgado, Jorge; Seiça, João; Lopes, Elsa B.; Santos, Isabel C.; Henriques, Rui T.; Almeida, Manuel; Wurst, Klaus; Foury-Leylekian, Pascale; Canadell, Enric; Vidal-Gancedo, José; Veciana, Jaume; Rovira, Concepció","Multistability in a family of DT‒TTF organic radical based compounds (DT‒TTF)4[M(L)2]3 (M = Au, Cu; L = pds, pdt, bdt)","Journal of Materials Chemistry","2005","15","31","3187","","10.1039/b505724h","","","0.71073","MoKα","","0.0656","0.0418","","","0.0761","0.0826","","","","","","1.023","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203807","11.8136","0.0004","10.5663","0.0003","18.5831","0.00007","90","","101.834","0.002","90","","2270.35","0.1","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 Cu N4 S10 -","- C18 H8 Cu N4 S10 -","- C72 H32 Cu4 N16 S40 -","4","1","","Dias, João C.; Ribas, Xavi; Morgado, Jorge; Seiça, João; Lopes, Elsa B.; Santos, Isabel C.; Henriques, Rui T.; Almeida, Manuel; Wurst, Klaus; Foury-Leylekian, Pascale; Canadell, Enric; Vidal-Gancedo, José; Veciana, Jaume; Rovira, Concepció","Multistability in a family of DT‒TTF organic radical based compounds (DT‒TTF)4[M(L)2]3 (M = Au, Cu; L = pds, pdt, bdt)","Journal of Materials Chemistry","2005","15","31","3187","","10.1039/b505724h","","","0.71073","MoKα","","0.0657","0.0508","","","0.1252","0.13","","","","","","1.105","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203808","4.03153","0.00004","4.03153","0.00004","9.01136","0.00013","90","","90","","90","","146.464","0.003","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- F P Sr Zn -","- F P Sr Zn -","- F2 P2 Sr2 Zn2 -","2","0.125","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","2.6334","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203809","5.7978","","5.7978","","5.7978","","90","","90","","90","","194.89","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","?","- F8.00192 Sr4 -","- F8.00192 Sr4 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","6.9955","","","","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203810","4.10077","","4.10077","","7.09933","","90","","90","","120","","103.39","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","?","- P2.00012 Sr Zn2.00012 -","- P2.00012 Sr Zn2.00012 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","6.3285","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203811","9.71816","","9.71816","","7.28267","","90","","90","","120","","595.648","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","?","- F2.00006 O24.0002 P6.00006 Sr10.0001 -","- F2.00006 O24.0002 P6.00006 Sr10.0001 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","9.8973","","","","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203812","4.15634","0.00003","4.15634","0.00003","9.45743","0.00009","90","","90","","90","","163.379","0.002","","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ba F P Zn -","- Ba F P Zn -","- Ba2 F2 P2 Zn2 -","2","0.125","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-rayCuKα","","","","","","","","","2.0518","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203813","4.43835","0.00005","4.43835","0.00005","9.77891","0.00014","90","","90","","90","","192.634","0.004","","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ba F Sb Zn -","- Ba F Sb Zn -","- Ba2 F2 Sb2 Zn2 -","2","0.125","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-rayCuKα","","","","","","","","","3.1914","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203814","6.20144","","6.20144","","6.20144","","90","","90","","90","","238.494","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","?","- Ba4 F8.00192 -","- Ba4 F8.00192 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","14.8398","","","","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203815","4.33653","","4.33653","","11.10471","","90","","90","","120","","180.852","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","19.0505","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"7203816","4.17927","0.00009","4.17927","0.00009","9.504","0.0002","90","","90","","90","","166","0.006","","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ba F Mn P -","- Ba F Mn P -","- Ba2 F2 Mn2 P2 -","2","0.125","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-rayCuKα","","","","","","","","","3.3803","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203817","6.19126","","6.19126","","6.19126","","90","","90","","90","","237.322","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","?","- Ba4 F8 -","- Ba4 F8 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","16.0453","","","","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203818","7.0447","0.0009","34.734","0.003","7.622","0.001","90","","105.98","0.003","90","","1793","0.4","296.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Cl2 Fe0.5 S7 -","- C13 H6 Cl2 Fe0.5 S7 -","- C52 H24 Cl8 Fe2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.042","","","","0.024","","","","","","1.544","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203819","7.063","0.001","34.578","0.007","7.607","0.002","90","","106.17","0.01","90","","1784.3","0.7","296.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Cl2 Ga0.5 S7 -","- C13 H6 Cl2 Ga0.5 S7 -","- C52 H24 Cl8 Ga2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.046","","","","0.027","","","","","","1.94","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203820","7.063","0.003","35.514","0.012","7.661","0.003","90","0.0011","105.673","0.001","90","0.0011","1850.2","1.2","298.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Br2 Fe0.5 S7 -","- C13 H6 Br2 Fe0.5 S7 -","- C52 H24 Br8 Fe2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.05","","","","0.042","","","","","","2.293","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203821","7.073","0.002","35.602","0.007","7.661","0.002","90","0.0008","106.062","0.001","90","0.0008","1853.8","0.8","298.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Br2 Ga0.5 S7 -","- C13 H6 Br2 Ga0.5 S7 -","- C52 H24 Br8 Ga2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.043","","","","0.035","","","","","","2.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203822","17.398","0.003","17.398","0.003","8.0808","0.0016","90","","90","","90","","2446","0.8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H20 Cu N5 O3 -","- C24 H20 Cu N5 O3 -","- C96 H80 Cu4 N20 O12 -","4","0.5","","Pârvulescu, Andrei N.; Marin, Geanina; Suwinska, Kinga; Kravtsov, Victor Ch.; Andruh, Marius; Pârvulescu, Viorica; Pârvulescu, Vasile I.","A polynuclear complex, {[Cu(bpe)2](NO3)}, with interpenetrated diamondoid networks: synthesis, properties and catalytic behavior","Journal of Materials Chemistry","2005","15","39","4234","","10.1039/b506786c","","","0.71073","MoKα","","0.0794","0.0579","","","0.1698","0.185","","","","","","1.005","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203824","9.8","0.001","12.5617","0.0013","13.7551","0.0014","78.436","0.002","70.332","0.002","68.465","0.002","1477.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H98 Al2 La2 O14 -","- C42 H98 Al2 La2 O14 -","- C42 H98 Al2 La2 O14 -","1","0.5","","Manning, Troy D.; Loo, Yim Fun; Jones, Anthony C.; Aspinall, Helen C.; Chalker, Paul R.; Bickley, Jamie F.; Smith, Lesley M.; Critchlow, Gary W.","Deposition of LaAlO3 films by liquid injection MOCVD using a new [La‒Al] single source alkoxide precursor","Journal of Materials Chemistry","2005","15","33","3384","","10.1039/b507004j","","","0.71073","MoKα","","0.0848","0.078","","","0.1734","0.1757","","","","","","1.295","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203825","35.505","0.008","35.505","0.008","15.724","0.004","90","","90","","90","","19822","8","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C62 H138 N2 O28 S2 Sn12 -","- C62 H132 N2 O28 S2 Sn12 -","- C496 H1056 N16 O224 S16 Sn96 -","8","0.5","","Ribot, François; Veautier, Delphine; Guillaudeu, Steven J.; Lalot, Thierry","Poly[{(BuSn)12O14(OH)6}(AMPS)2] and poly[methyl acrylate-co-{(BuSn)12O14(OH)6}(AMPS)2]: hybrid polymers cross-linked through electrostatic interactions","Journal of Materials Chemistry","2005","15","35-36","3973","","10.1039/b507214j","","","0.71073","MoKα","","0.0822","0.0611","","","0.1205","0.1581","","","","","","0.983","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203826","17.283","0.0012","11.7794","0.0009","19.1659","0.0014","90","","116.194","0.001","90","","3501.2","0.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 N6 Y -","- C30 H63 N6 Y -","- C120 H252 N24 Y4 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.1232","0.0636","","","0.1135","0.1333","","","","","","1.03","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203827","16.973","0.0006","11.8555","0.0004","19.0849","0.0007","90","","116.065","0.001","90","","3449.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 La N6 -","- C30 H63 La N6 -","- C120 H252 La4 N24 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.0469","0.0434","","","0.1189","0.1201","","","","","","1.342","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203828","17.306","0.006","11.928","0.006","19.182","0.009","90","","115.953","0.011","90","","3560","3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Ce N6 -","- C30 H63 Ce N6 -","- C120 H252 Ce4 N24 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.0316","0.0207","","","0.0351","0.0361","","","","","","0.836","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203829","17.2186","0.0011","11.8892","0.0007","19.2018","0.0012","90","","116.588","0.001","90","","3515.2","0.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 N6 Nd -","- C30 H63 N6 Nd -","- C120 H252 N24 Nd4 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.0319","0.0236","","","0.0495","0.0504","","","","","","0.941","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203830","17.1087","0.0015","11.7908","0.0015","19.078","0.002","90","","115.944","0.001","90","","3460.7","0.6","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Eu N6 -","- C30 H63 Eu N6 -","- C120 H252 Eu4 N24 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.1231","0.0761","","","0.1869","0.2082","","","","","","1.009","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203831","17.268","0.003","11.7545","0.0018","19.135","0.003","90","","116.107","0.002","90","","3487.7","1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Er N6 -","- C30 H63 Er N6 -","- C120 H252 Er4 N24 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.0905","0.08","","","0.242","0.2457","","","","","","1.253","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203833","6.8731","0.0004","14.3073","0.0008","22.1427","0.0012","90","","90.446","0.001","90","","2177.3","0.2","87","2","87","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetrazole triazole","","","- C5 H8 N10 O4 -","- C5 H8 N10 O4 -","- C40 H64 N80 O32 -","8","2","","Hong Xue; Brendan Twamley; Jean'ne M. Shreeve","Energetic salts of substituted 1,2,4-triazolium and tetrazolium 3,5-dinitro-1,2,4-triazolates","Journal of Materials Chemistry","2005","15","34","3459","","10.1039/b507996a","","","0.71073","MoKα","","0.0845","0.0555","","","0.121","0.133","","","","","","1.061","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203834","6.584","0.003","5.827","0.002","9.948","0.004","90","","97.2312","0.0016","90","","378.6","0.3","93.15","","93.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2 H12 F4 N2 O2 V -","- C2 H12 F4 N2 O2 V -","- C4 H24 F8 N4 O4 V2 -","2","1","","Stephens, Nicholas F.; Buck, Manfred; Lightfoot, Philip","Polar ordering of polar octahedra in [C2N2H10][VOF4(H2O)]","Journal of Materials Chemistry","2005","15","40","4298","","10.1039/b508959j","","","0.7107","MoKα","","0.0228","0.0223","","","0.0525","0.0527","","","","","","1.041","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203835","16.095","0.002","16.647","0.002","19.39","0.002","82.61","0.01","87.7","0.01","72.94","0.01","4925.4","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,7-Bis{5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl] -thien-2-yl}-9,9-dihexylfluorene","","- C57 H62 N4 O2 S2 -","- C57 H62 N4 O2 S2 -","- C228 H248 N16 O8 S8 -","4","2","","Oyston, Stephen; Wang, Changsheng; Perepichka, Igor F.; Batsanov, Andrei S.; Bryce, Martin R.; Ahn, Jin H.; Petty, Michael C.","Enhanced electron injection and efficiency in blended-layer organic light emitting diodes with aluminium cathodes: new 2,5-diaryl-1,3,4-oxadiazole‒fluorene hybrids incorporating pyridine units","Journal of Materials Chemistry","2005","15","48","5164","","10.1039/b510003h","","","0.71073","MoKα","","0.1468","0.0483","","","0.0814","0.0993","","","","","","0.719","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203836","5.6928","","7.733","","5.4179","","90","","90","","90","","238.509","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca Dy Mn O6 Sn -","- Ca Dy Mn O6 Sn -","- Ca2 Dy2 Mn2 O12 Sn2 -","2","0.25","","Abakumov, Artem M.; Rossell, Marta D.; Seryakov, Sergey A.; Rozova, Marina G.; Markina, Maria M.; Van Tendeloo, Gustaaf; Antipov, Evgeny V.","Synthesis and crystal structure of novel CaRMnSnO6(R = La, Pr, Nd, Sm‒Dy) double perovskites","Journal of Materials Chemistry","2005","15","46","4899","","10.1039/b510242a","powder diffraction","","1.5406","X-ray","","0.0415","0.0334","","","0.0171","0.0175","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203837","5.6701","","7.9022","","5.5545","","90","","90","","90","","248.876","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca La Mn O6 Sn -","- Ca La Mn O6 Sn -","- Ca2 La2 Mn2 O12 Sn2 -","2","0.25","","Abakumov, Artem M.; Rossell, Marta D.; Seryakov, Sergey A.; Rozova, Marina G.; Markina, Maria M.; Van Tendeloo, Gustaaf; Antipov, Evgeny V.","Synthesis and crystal structure of novel CaRMnSnO6(R = La, Pr, Nd, Sm‒Dy) double perovskites","Journal of Materials Chemistry","2005","15","46","4899","","10.1039/b510242a","powder diffraction","","1.5406","X-ray","","0.0422","0.0301","","","0.0133","0.0141","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203838","5.7186","","7.8408","","5.4918","","90","","90","","90","","246.244","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca Mn O6 Sm Sn -","- Ca Mn O6 Sm Sn -","- Ca2 Mn2 O12 Sm2 Sn2 -","2","0.25","","Abakumov, Artem M.; Rossell, Marta D.; Seryakov, Sergey A.; Rozova, Marina G.; Markina, Maria M.; Van Tendeloo, Gustaaf; Antipov, Evgeny V.","Synthesis and crystal structure of novel CaRMnSnO6(R = La, Pr, Nd, Sm‒Dy) double perovskites","Journal of Materials Chemistry","2005","15","46","4899","","10.1039/b510242a","powder diffraction","","1.5406","X-ray","","0.0362","0.0301","","","0.0119","0.0123","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203839","12.301","0.005","16.426","0.006","16.316","0.007","90","","99.026","0.009","90","","3256","2","155","2","155","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DBAT 1","","","- C36 H50 N2 S -","- C36.007 H50 N2 S -","- C144.028 H200 N8 S4 -","4","1","","Clot, Olivier; Selmarten, Don; McNevin, Michael J.","Synthesis and characterization of amino-capped oligothiophene-based hole-transport materials","Journal of Materials Chemistry","2005","15","46","4934","","10.1039/b510826h","","","0.71073","MoKα","","0.1388","0.0877","","","0.2232","0.2592","","","","","","1.036","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203840","12.0888","0.0006","12.1517","0.0007","12.8142","0.0006","84.414","0.001","73.161","0.001","87.552","0.002","1792.92","0.16","156","2","156","2","","","","","","","","4","P -1","-P 1","2","DBAT 2","","","- C40 H52 N2 S2 -","- C40.005 H52 N2 S2 -","- C80.01 H104 N4 S4 -","2","1","","Clot, Olivier; Selmarten, Don; McNevin, Michael J.","Synthesis and characterization of amino-capped oligothiophene-based hole-transport materials","Journal of Materials Chemistry","2005","15","46","4934","","10.1039/b510826h","","","0.71073","MoKα","","0.2211","0.1022","","","0.2708","0.3438","","","","","","1.01","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203841","9.9758","0.0007","7.6623","0.0003","12.8922","0.0009","90","","112.418","0.005","90","","910.97","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 O4 S5 -","- C18 H14 O4 S5 -","- C36 H28 O8 S10 -","2","1","","Spencer, Howard J.; Skabara, Peter J.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.","The first direct experimental comparison between the hugely contrasting properties of PEDOT and the all-sulfur analogue PEDTT by analogy with well-defined EDTT‒EDOT copolymers","Journal of Materials Chemistry","2005","15","45","4783","","10.1039/b511075k","","","0.71073","MoKα","","0.0294","0.0265","","","0.06","0.0615","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203842","8.1677","0.0013","8.4673","0.0015","27.674","0.005","90","","90","","90","","1913.9","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O2 S7 -","- C18 H14 O2 S7 -","- C72 H56 O8 S28 -","4","1","","Spencer, Howard J.; Skabara, Peter J.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.","The first direct experimental comparison between the hugely contrasting properties of PEDOT and the all-sulfur analogue PEDTT by analogy with well-defined EDTT‒EDOT copolymers","Journal of Materials Chemistry","2005","15","45","4783","","10.1039/b511075k","","","0.71073","MoKα","","0.0986","0.071","","","0.1402","0.1501","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203843","7.281","0.003","7.93","0.003","14.519","0.005","79.806","0.008","89.564","0.009","65.582","0.007","749.3","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 Sb Se8 -","- C20 H20 F6 O4 Sb Se8 -","- C20 H20 F6 O4 Sb Se8 -","1","0.5","","Shirahata, Takashi; Kibune, Megumi; Imakubo, Tatsuro","New unsymmetrical donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF): Structures and properties of its cation radical salts","Journal of Materials Chemistry","2005","15","41","4399","","10.1039/b511820d","","","0.71073","MoKα","","0.1074","0.0652","","","0.1442","0.159","","","","","","0.862","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203844","13.958","0.004","8.285","0.002","11.867","0.003","90","","109.478","0.006","90","","1293.8","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O2 Se4 -","- C10 H10 O2 Se4 -","- C40 H40 O8 Se16 -","4","1","","Shirahata, Takashi; Kibune, Megumi; Imakubo, Tatsuro","New unsymmetrical donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF): Structures and properties of its cation radical salts","Journal of Materials Chemistry","2005","15","41","4399","","10.1039/b511820d","","","0.71073","MoKα","","0.079","0.0501","","","0.1262","0.1405","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203845","7.302","0.003","7.977","0.003","13.5","0.006","73.739","0.01","79.794","0.008","79.329","0.01","735.3","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 P Se8 -","- C20 H20 F6 O4 P Se8 -","- C20 H20 F6 O4 P Se8 -","1","0.5","","Shirahata, Takashi; Kibune, Megumi; Imakubo, Tatsuro","New unsymmetrical donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF): Structures and properties of its cation radical salts","Journal of Materials Chemistry","2005","15","41","4399","","10.1039/b511820d","","","0.71073","MoKα","","0.0867","0.0504","","","0.1176","0.1305","","","","","","0.847","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203846","7.269","0.003","7.632","0.003","14.345","0.006","78.664","0.008","86.234","0.008","69.542","0.007","731.1","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 As F6 O4 Se8 -","- C20 H20 As F6 O4 Se8 -","- C20 H20 As F6 O4 Se8 -","1","0.5","","Shirahata, Takashi; Kibune, Megumi; Imakubo, Tatsuro","New unsymmetrical donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF): Structures and properties of its cation radical salts","Journal of Materials Chemistry","2005","15","41","4399","","10.1039/b511820d","","","0.71073","MoKα","","0.0963","0.0718","","","0.1872","0.1986","","","","","","0.942","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203847","13.2971","0.0003","15.7128","0.0003","18.2835","0.0004","90","","106.925","0.0009","90","","3654.59","0.14","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Fe P2 Si -","- C42 H44 Fe P2 Si -","- C168 H176 Fe4 P8 Si4 -","4","1","","Miller, Catherine J.; O'Hare, Dermot","A new phosphine-functionalised [1]ferrocenophane and its use in the functionalisation of mesoporous silicas","Journal of Materials Chemistry","2005","15","47","5070","","10.1039/b513133b","","","0.71073","MoKα","","","0.0398","","","","0.0459","","","","","","1.0548","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208856","5.2052","0.0006","12.6763","0.0017","19.107","0.003","90","","91.293","0.012","90","","1260.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Lithum Yttrium Barium Molybdate","Lithum Yttrium Barium Molybdate","","- Ba2 Li3 Mo8 O32 Y3 -","- Ba2 Li3 Mo8 O32 Y3 -","- Ba4 Li6 Mo16 O64 Y6 -","2","0.25","","Song, Mingjun; Zhou, Weiwei; Wu, Mingyan; Wang, Guofu","Structure, thermal and spectroscopic properties of Tm3±doped Li3Ba2Y3(MoO4)8 crystal as a promising candidate for 2 μm lasers","CrystEngComm","2013","15","1","168","","10.1039/c2ce25671a","","","0.71073","MoKα","","0.0447","0.0425","","","0.1109","0.1123","","","","","","1.19","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208857","9.8525","0.0019","10.375","0.002","13.982","0.003","72.383","0.003","89.789","0.002","80.764","0.003","1343","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N8 O2 -","- C32 H26 N8 O2 -","- C64 H52 N16 O4 -","2","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.0788","0.0546","","","0.1343","0.1509","","","","","","1.025","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208858","7.599","0.002","9.335","0.003","23.306","0.007","90","","97.817","0.005","90","","1637.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N4 O2 -","- C19 H16 N4 O2 -","- C76 H64 N16 O8 -","4","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.1358","0.079","","","0.1463","0.1699","","","","","","1.106","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208859","9.865","0.002","15.655","0.004","14.016","0.003","90","","101.089","0.003","90","","2124.2","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N3 O -","- C12 H10 N3 O -","- C96 H80 N24 O8 -","8","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.085","0.0594","","","0.1398","0.1542","","","","","","1.069","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208860","7.352","0.002","9.03","0.003","9.219","0.003","116.322","0.004","93.538","0.004","108.236","0.004","506.4","0.3","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N3 O -","- C12 H10 N3 O -","- C24 H20 N6 O2 -","2","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.0758","0.066","","","0.1693","0.178","","","","","","1.054","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208861","11.3946","0.0003","11.3946","0.0003","11.3946","0.0003","90","","90","","90","","1479.44","0.07","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd12 Ni12 -","- Cd12 Ni12 -","- Cd48 Ni48 -","4","0.0208333","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0101","0.0095","","0.0294","0.0289","","","","1.21","1.2","1.2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208862","19.722","0.0002","19.722","0.0002","19.722","0.0002","90","","90","","90","","7671.02","0.13","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.247 Ni14.486 -","- Cd82.208 Ni14.51 -","- Cd328.832 Ni58.04 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0432","0.0404","","0.1305","0.1284","","","","1.82","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208863","19.7145","0.0011","19.7145","0.0011","19.7145","0.0011","90","","90","","90","","7662.3","0.7","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.826 Ni13.378 -","- Cd82.79 Ni13.41 -","- Cd331.16 Ni53.64 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.045","0.0423","","0.1356","0.1337","","","","1.85","1.89","1.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208864","19.7356","0.0005","19.7356","0.0005","19.7356","0.0005","90","","90","","90","","7686.9","0.3","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.96 Ni13.252 -","- Cd82.908 Ni13.29 -","- Cd331.632 Ni53.16 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0476","0.0407","","0.1084","0.1058","","","","1.69","1.75","1.75","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208865","19.7384","","19.7384","","19.7384","","90","","90","","90","","7690.17","","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd83.144 Ni13.09 -","- Cd83.22 Ni13.06 -","- Cd332.88 Ni52.24 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0353","0.0344","","0.121","0.1203","","","","1.82","1.83","1.83","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208866","11.397","0.0004","11.397","0.0004","11.397","0.0004","90","","90","","90","","1480.37","0.09","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd12.303 Ni11.697 -","- Cd12.304 Ni11.696 -","- Cd49.216 Ni46.784 -","4","0.0208333","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0201","0.0192","","0.0642","0.0623","","","","1.2","1.18","1.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208867","32.365","0.004","32.365","0.004","32.365","0.004","90","","90","","90","","33902","7","173","2","173","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C10 H7 Cu0.5 N O3.5 -","- C10 H6 Cu0.5 N O3.5 -","- C480 H288 Cu24 N48 O168 -","48","1","","Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo","Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework","CrystEngComm","2013","15","2","259","","10.1039/c2ce26015h","","","0.71073","MoKα","","0.2465","0.1515","","","0.4379","0.4844","","","","","","1.341","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208868","41.121","0.008","20.457","0.004","39.436","0.008","90","","106.71","0.03","90","","31773","12","96","2","96","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C278 H328 N44 Ni14 O94 -","- C278 H328 N44 Ni14 O94 -","- C1112 H1312 N176 Ni56 O376 -","4","0.5","","Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo","Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework","CrystEngComm","2013","15","2","259","","10.1039/c2ce26015h","","","0.8","synchrotron","","0.0803","0.0643","","","0.1933","0.2031","","","","","","1.085","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208869","17.812","0.0018","15.4281","0.0016","16.3819","0.0017","90","","90","","90","","4501.8","0.8","298","2","298","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16 H16 Cd2 N4 O9 -","- C16 H16 Cd2 N4 O9 -","- C128 H128 Cd16 N32 O72 -","8","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.1093","0.0775","","","0.2072","0.2389","","","","","","1.073","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208870","8.9597","0.0011","11.2586","0.0012","13.1658","0.0015","111.467","0.002","94.81","0.001","98.544","0.001","1208.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 Ag2 N6 O4 -","- C20 H27 Ag2 N6 O4 -","- C40 H54 Ag4 N12 O8 -","2","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.058","0.0338","","","0.0794","0.0967","","","","","","1.021","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208871","7.229","0.0007","8.9199","0.0009","9.3501","0.001","65.68","0.001","88.42","0.002","70.57","0.001","513.9","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20.5 N4 O12.25 Zn -","- C14 H20.52 N4 O12.25 Zn -","- C14 H20.52 N4 O12.25 Zn -","1","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0494","0.0407","","","0.1103","0.1143","","","","","","1.182","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208872","19.267","0.003","11.2198","0.0005","12.833","0.003","90","","127.52","0.03","90","","2200.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N2 O5 Zn -","- C8 H5 N2 O5 Zn -","- C64 H40 N16 O40 Zn8 -","8","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0368","0.0323","","","0.1183","0.1269","","","","","","1.027","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208873","8.2303","0.0002","10.7231","0.0003","11.1975","0.0003","90","","90","0.03","90","","988.23","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd N4 O8 -","- C16 H18 Cd N4 O8 -","- C32 H36 Cd2 N8 O16 -","2","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.03","0.0263","","","0.0782","0.0833","","","","","","1.012","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208874","16.201","0.0003","16.201","0.0003","6.9121","0.0003","90","","90","","90","","1814.24","0.09","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C6 H6 Cd N2 O5 -","- C6 Cd N2 O5 -","- C48 Cd8 N16 O40 -","8","0.25","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0455","0.0405","","","0.1384","0.1422","","","","","","1.089","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208875","16.178","0.0002","16.178","0.0002","6.8377","0.0002","90","","90","","90","","1789.62","0.06","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C7 H8 Cd N2 O5 -","- C7 Cd N2 O5 -","- C56 Cd8 N16 O40 -","8","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0572","0.045","","","0.1309","0.1378","","","","","","1.056","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208876","12.8722","0.0005","12.9237","0.0004","29.641","0.002","90","","90","","90","","4931","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Cl22 Cu16 N6 -","- C18 H42 Cl22 Cu16 N6 -","- C72 H168 Cl88 Cu64 N24 -","4","1","","Williams, Edward R.; Weller, Mark T.","Hydrothermal synthesis and structural characterisation of [H2DABCO]3[Cu16Cl22]: a new copper(i) chloride framework","CrystEngComm","2013","15","1","31","","10.1039/c2ce26068a","","","0.71075","MoKα","","0.0659","0.0592","","","0.1379","0.1413","","","","","","1.13","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208877","23.8588","0.0012","18.6112","0.0009","8.4514","0.0005","90","","100.598","0.003","90","","3688.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N6 O8 Pd Zn -","- C24 H30 N6 O8 Pd Zn -","- C96 H120 N24 O32 Pd4 Zn4 -","4","0.5","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","1.54178","CuKα","","0.0462","0.0424","","","0.1271","0.1312","","","","","","1.088","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208878","11.4952","0.0009","11.5504","0.0008","21.6426","0.0016","94.351","0.001","91.218","0.001","113.627","0.001","2620.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H65 Co N11 Ni2 O16 -","- C41 H59 Co N11 Ni2 O16 -","- C82 H118 Co2 N22 Ni4 O32 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0772","0.0519","","","0.1633","0.1947","","","","","","0.995","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208879","11.4505","0.0008","11.5123","0.0008","21.6191","0.0014","94.207","0.001","91.531","0.001","113.612","0.001","2599.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H65 N11 Ni3 O16 -","- C41 H59 N11 Ni3 O16 -","- C82 H118 N22 Ni6 O32 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0777","0.0569","","","0.178","0.1977","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208880","11.4882","0.0008","11.5521","0.0008","21.6308","0.0016","94.361","0.001","91.317","0.001","113.584","0.001","2618.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H65 N11 Ni2 O16 Zn -","- C41 H63 N11 Ni2 O16 Zn -","- C82 H126 N22 Ni4 O32 Zn2 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0781","0.0492","","","0.1281","0.1527","","","","","","1.065","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208881","11.5109","0.0014","11.5916","0.0014","21.717","0.003","91.17","0.002","94.449","0.002","113.834","0.002","2638.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H71 N11 Ni O19 Zn2 -","- C41 H67 N11 Ni O19 Zn2 -","- C82 H134 N22 Ni2 O38 Zn4 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0585","0.0497","","","0.1532","0.1611","","","","","","1.066","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208882","11.5056","0.0008","11.6391","0.0008","21.8286","0.0015","91.695","0.001","94.3","0.001","113.432","0.001","2668.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H67 N11 O17 Zn3 -","- C41 H65 N11 O17 Zn3 -","- C82 H130 N22 O34 Zn6 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0689","0.0528","","","0.1707","0.1935","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208883","13.8978","0.0008","15.0595","0.0009","15.5605","0.0009","90","","115.097","0.001","90","","2949.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cu N6 Ni O11 -","- C24 H36 Cu N6 Ni O11 -","- C96 H144 Cu4 N24 Ni4 O44 -","4","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0631","0.0362","","","0.0784","0.0867","","","","","","0.942","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208884","8.2345","0.0009","13.4315","0.0015","13.4515","0.0015","65.405","0.001","81.539","0.002","85.676","0.002","1337.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cu2 N6 O10 -","- C24 H34 Cu2 N6 O10 -","- C48 H68 Cu4 N12 O20 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0439","0.039","","","0.1399","0.1589","","","","","","1.146","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208885","9.706","0.004","10.184","0.004","10.607","0.004","62.712","0.004","85.47","0.005","69.691","0.004","869.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 Cu N6 Ni O18 -","- C24 H46 Cu N6 Ni O18 -","- C24 H46 Cu N6 Ni O18 -","1","0.5","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0679","0.0648","","","0.1729","0.1773","","","","","","1.023","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208886","15.107","0.002","9.1347","0.0014","19.186","0.003","90","","100.09","0.002","90","","2606.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium hemi(tetrafluoroborate)","","","- C10 H13 B F4 N4 -","- C10 H13 B F4 N4 -","- C80 H104 B8 F32 N32 -","8","2","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0817","0.0472","","","0.1077","0.1232","","","","","","1.043","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208887","6.604","0.001","6.604","0.001","31.614","0.01","90","","90","","90","","1378.8","0.5","100","2","100","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","4-aminopyridinium hemihexafluorphosphate","","","- C10 H13 F6 N4 P -","- C10 H13 F6 N4 P -","- C40 H52 F24 N16 P4 -","4","0.125","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0413","0.0347","","","0.0902","0.0967","","","","","","1.06","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208888","9.7157","0.0017","8.8484","0.0016","13.216","0.002","90","","95.285","0.002","90","","1131.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Aminopyridinium hemichloride","","","- C10 H13 Cl N4 -","- C10 H13 Cl N4 -","- C40 H52 Cl4 N16 -","4","1","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0466","0.0359","","","0.0841","0.0914","","","","","","1.033","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208889","9.7699","0.0017","8.993","0.0015","13.46","0.002","90","","95.826","0.003","90","","1176.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-aminopyridinium hemibromide","","","- C10 H13 Br N4 -","- C10 H13 Br N4 -","- C40 H52 Br4 N16 -","4","1","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0402","0.0303","","","0.0781","0.0828","","","","","","1.037","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208890","8.2553","0.0011","12.849","0.0016","3.888","0.0004","90","","90","","90","","412.41","0.09","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C6 H2 Cs2 O4 -","- C6 Cs2 O4 -","- C12 Cs4 O8 -","2","0.125","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.055","","","","0.1534","","","","","","1.102","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208891","3.9251","0.0001","11.2358","0.0003","8.3337","0.0002","90","","102.757","0.003","90","","358.457","0.016","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 K2 O4 -","- C6 H2 K2 O4 -","- C12 H4 K4 O8 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0294","","","","0.0845","","","","","","1.119","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208892","15.9708","0.0007","6.4417","0.0002","7.9093","0.0003","90","","116.462","0.005","90","","728.45","0.06","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H6 Li2 O6 -","- C6 H6 Li2 O6 -","- C24 H24 Li8 O24 -","4","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0363","","","","0.1084","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208893","8.2507","0.0009","12.4085","0.0013","7.0259","0.0012","90","","90","","90","","719.3","0.16","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0569","","","","0.1873","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208894","8.1716","0.0004","12.468","0.0005","7.2307","0.0003","90","","90","","90","","736.69","0.06","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H2 O4 Rb2 -","- C6 H2 O4 Rb2 -","- C24 H8 O16 Rb8 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0433","","","","0.1216","","","","","","1.13","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7208895","6.86","0.002","7.368","0.002","18.967","0.005","90","","109.738","0.009","90","","902.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.1331","0.0696","","","0.168","0.2105","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208896","9.7089","0.0014","8.9276","0.0013","25.93","0.004","90","","91.09","0.002","90","","2247.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 O6 Tb -","- C24 H15 N6 O6 Tb -","- C96 H60 N24 O24 Tb4 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0502","0.041","","","0.0972","0.1021","","","","","","1.066","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208897","9.7575","0.001","8.9776","0.0009","26.005","0.003","90","","91.113","0.001","90","","2277.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Eu N6 O6 -","- C24 H15 Eu N6 O6 -","- C96 H60 Eu4 N24 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0321","0.025","","","0.0627","0.0785","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208898","9.8425","0.0007","9.0698","0.0007","26.084","0.002","90","","91.216","0.001","90","","2328","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 O6 Pr -","- C24 H15 N6 O6 Pr -","- C96 H60 N24 O24 Pr4 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0351","0.029","","","0.0638","0.0661","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208899","9.853","0.002","9.073","0.002","26.152","0.006","90","","91.153","0.004","90","","2337.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 Nd O6 -","- C24 H15 N6 Nd O6 -","- C96 H60 N24 Nd4 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0689","0.0549","","","0.1184","0.1249","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208900","9.7434","0.0011","8.9656","0.001","26","0.003","90","","91.179","0.002","90","","2270.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Gd N6 O6 -","- C24 H15 Gd N6 O6 -","- C96 H60 Gd4 N24 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0526","0.0373","","","0.0715","0.0774","","","","","","1.033","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208901","11.9092","0.0007","5.2342","0.0003","11.3589","0.0007","90","","91.198","0.003","90","","707.9","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-AzoPy-SA (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)2-COOH","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C28 H28 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0538","0.0406","","","0.1098","0.1181","","","","","","1.131","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208902","5.2025","0.0004","7.0703","0.0006","11.4579","0.001","99.247","0.005","102.957","0.006","101.395","0.005","393.25","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)4-COOH","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0611","0.0489","","","0.1337","0.1451","","","","","","1.036","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208903","5.468","0.0006","7.0381","0.0007","11.9358","0.0012","98.867","0.006","93.592","0.006","102.392","0.006","441.09","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","03-04BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)6-COOH","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0585","0.0476","","","0.1372","0.1484","","","","","","1.087","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208904","7.0388","0.0014","8.2451","0.0018","17.49","0.004","77.525","0.014","80.368","0.013","85.474","0.014","976.1","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","03-03BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)8-COOH","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C40 H52 N8 O8 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.1782","0.093","","","0.2017","0.2462","","","","","","1.177","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208905","5.8269","0.0006","8.6817","0.0008","9.0827","0.0009","76.314","0.006","87.963","0.006","77.486","0.006","435.76","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","05:04BD (4-pyridyl)-N=N-(4-pyridyl), HOOC-(CH2)6-COOH","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0767","0.0504","","","0.1308","0.1459","","","","","","1.075","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208906","12.089","0.011","14.791","0.013","15.76","0.014","87.779","0.013","74.046","0.012","70.035","0.012","2542","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H41 N4 Ni2 O14.5 -","- C48 H41 N4 Ni2 O14.5 -","- C96 H82 N8 Ni4 O29 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.2047","0.0785","","","0.1637","0.2224","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208907","12.215","0.003","14.94","0.004","15.929","0.004","88.1","0.003","73.721","0.003","70.836","0.003","2630.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 N5 Ni2 O15 -","- C51 H47 N5 Ni2 O15 -","- C102 H94 N10 Ni4 O30 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1273","0.0607","","","0.1313","0.1586","","","","","","1.019","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208908","11.275","0.005","13.288","0.006","18.774","0.008","92.211","0.006","100.988","0.005","104.96","0.005","2656","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H49 N4 Ni2 O19 -","- C55 H49 N4 Ni2 O19 -","- C110 H98 N8 Ni4 O38 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0834","0.051","","","0.1219","0.1392","","","","","","1.018","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208909","14.858","0.018","15.017","0.018","15.9","0.018","64.059","0.015","71.167","0.015","76.371","0.015","3001","6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H103 Cu5 N12 O37 -","- C118 H103 Cu5 N12 O37 -","- C118 H103 Cu5 N12 O37 -","1","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1137","0.0666","","","0.1803","0.2146","","","","","","1.005","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208910","10.682","0.007","15.358","0.01","20.449","0.014","90","","93.388","0.008","90","","3349","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H54 Co3 N4 O20 -","- C76 H54 Co3 N4 O20 -","- C152 H108 Co6 N8 O40 -","2","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1921","0.089","","","0.1955","0.2355","","","","","","0.999","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208911","14.001","0.01","10.758","0.008","16.911","0.012","90","","105.111","0.008","90","","2459","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H33 Co3 N0 O19 -","- C56 H33 Co3 O19 -","- C112 H66 Co6 O38 -","2","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0618","0.0393","","","0.0813","0.0911","","","","","","1.015","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208912","29.685","0.008","18.809","0.005","10.441","0.003","90","","97.5","0.003","90","","5780","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Co3 N8 O22 S -","- C52 H50 Co3 N8 O22 S -","- C208 H200 Co12 N32 O88 S4 -","4","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0562","0.0418","","","0.1089","0.1189","","","","","","1.033","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208913","19.052","0.002","18.588","0.002","28.092","0.004","90","","90","","90","","9948","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H38 Br5 Cd6 N41 O -","- C16 H38 Br5 Cd6 N41 O -","- C128 H304 Br40 Cd48 N328 O8 -","8","1","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0381","0.0366","","","0.0838","0.0847","","","","","","1.054","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208914","12.724","0.007","13.439","0.007","23.509","0.012","90","","90","","90","","4020","4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H36 Br5 Cd4 N21 -","- C16 H36 Br5 Cd4 N21 -","- C64 H144 Br20 Cd16 N84 -","4","0.5","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0477","0.0413","","","0.104","0.1078","","","","","","1.029","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208915","8.7258","0.0011","10.6743","0.0006","11.7457","0.0011","65.623","0.012","78.885","0.014","76.553","0.014","963.36","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cd N2 O9 S2 -","- C15 H16 Cd N2 O9 S2 -","- C30 H32 Cd2 N4 O18 S4 -","2","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.068","0.0496","","","0.0997","0.1083","","","","","","1.05","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208916","10.736","0.0013","23.426","0.003","16.561","0.002","90","","95.698","0.004","90","","4144.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 Cd2 N4 O15 S4 -","- C35 H34 Cd2 N4 O15 S4 -","- C140 H136 Cd8 N16 O60 S16 -","4","0.5","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.0969","0.0728","","","0.1691","0.1824","","","","","","1.157","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208917","10.8173","0.0018","23.278","0.004","16.465","0.003","90","","97.66","0.005","90","","4109","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N2 O8 S2 -","- C18 H8 Cd N2 O8 S2 -","- C144 H64 Cd8 N16 O64 S16 -","8","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.1187","0.0799","","","0.1307","0.146","","","","","","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208918","9.048","0.0011","10.9486","0.0015","12.7222","0.0018","106.62","0.002","103.906","0.003","102.182","0.002","1118","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Co N2 O9 S2 -","- C18 H12 Co N2 O9 S2 -","- C36 H24 Co2 N4 O18 S4 -","2","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.0984","0.0813","","","0.1708","0.1808","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208919","8.913","0.003","21.652","0.006","10.046","0.004","90","","110.545","0.011","90","","1815.4","1.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Co N2 O7 S2 -","- C17 H8 Co N2 O7 S2 -","- C68 H32 Co4 N8 O28 S8 -","4","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.1625","0.098","","","0.1378","0.166","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208920","22.748","0.005","10.543","0.002","15.131","0.003","90","","108.49","0.03","90","","3441.6","1.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Co N2 O5 S2 -","- C16 H12 Co N2 O5 S2 -","- C128 H96 Co8 N16 O40 S16 -","8","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71073","MoKα","","0.1736","0.0953","","","0.1429","0.1752","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208921","15.9051","0.0013","15.9844","0.0013","18.1694","0.0015","74.805","0.003","89.245","0.003","63.414","0.002","3957.3","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Er N27 O38 -","- C60 H72 Er N27 O25 -","- C120 H144 Er2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.044","0.0412","","","0.1257","0.1288","","","","","","1.098","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208922","15.8697","0.0013","15.9935","0.0012","18.2482","0.0014","74.793","0.003","89.019","0.003","63.367","0.002","3968","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Gd N27 O38 -","- C60 H72 Gd N27 O25 -","- C120 H144 Gd2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0563","0.0491","","","0.1385","0.1499","","","","","","1.071","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208923","15.9003","0.0008","15.9406","0.0008","18.1921","0.0009","74.646","0.002","89.345","0.002","63.329","0.002","3942.3","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Y -","- C60 H72 N27 O25 Y -","- C120 H144 N54 O50 Y2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0817","0.0585","","","0.16","0.1734","","","","","","1.064","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208924","15.8719","0.0008","15.9679","0.0008","18.3263","0.0009","74.45","0.002","88.987","0.002","63.323","0.002","3969.8","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Sm -","- C60 H72 N27 O25 Sm -","- C120 H144 N54 O50 Sm2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0488","0.0432","","","0.1178","0.1215","","","","","","1.042","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208925","15.9117","0.0007","15.9777","0.0006","18.2073","0.0007","74.75","0.001","89.332","0.002","63.384","0.001","3962.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Dy N27 O38 -","- C60 H72 Dy N27 O25 -","- C120 H144 Dy2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0505","0.0453","","","0.1349","0.1396","","","","","","1.092","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208926","15.8602","0.0007","15.9685","0.0006","18.0548","0.0008","74.91","0.001","89.449","0.002","63.404","0.001","3917.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Yb -","- C60 H72 N27 O25 Yb -","- C120 H144 N54 O50 Yb2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0341","0.0314","","","0.0867","0.0889","","","","","","1.056","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208927","10.7042","0.0006","14.7774","0.0008","29.5216","0.0016","77.486","0.002","81.423","0.002","69.116","0.002","4246","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H124 Cl2 N25 O41 Pr -","- C60 H72 Cl2 N25 O20 Pr -","- C120 H144 Cl4 N50 O40 Pr2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0878","0.0739","","","0.2161","0.2293","","","","","","1.094","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208928","15.8602","0.0006","15.9876","0.0006","18.2197","0.0006","74.954","0.001","89.086","0.001","63.282","0.001","3957.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Eu N27 O38 -","- C60 H72 Eu N27 O25 -","- C120 H144 Eu2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0433","0.0372","","","0.1033","0.107","","","","","","1.077","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208929","10.6667","0.0008","28.785","0.002","14.6296","0.0011","90","","110.47","0.002","90","","4208.2","0.5","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C60 H128 Cl2 N25 O43 Pr -","- C60 H64 Cl2 N25 O19 Pr -","- C120 H128 Cl4 N50 O38 Pr2 -","2","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.1504","0.1109","","","0.3278","0.3602","","","","","","1.264","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208930","15.845","0.0007","15.9385","0.0007","18.1401","0.0008","74.731","0.002","89.311","0.002","63.456","0.002","3923.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H104 Ho N27 O37 -","- C60 H72 Ho N27 O25 -","- C120 H144 Ho2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0468","0.0407","","","0.1137","0.1177","","","","","","1.092","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208931","15.8446","0.0006","15.9631","0.0007","18.1699","0.0007","74.865","0.001","89.206","0.001","63.336","0.001","3936","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Tb -","- C60 H72 N27 O25 Tb -","- C120 H144 N54 O50 Tb2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0529","0.0449","","","0.1217","0.1268","","","","","","1.094","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208932","17.7064","0.0013","26.467","0.002","21.98","0.0016","90","","111.594","0.002","90","","9577.7","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H136 Cl2 Lu2 N28 O56 -","- C60 H72 Cl2 Lu2 N28 O36 -","- C240 H288 Cl8 Lu8 N112 O144 -","4","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0493","0.0388","","","0.1092","0.114","","","","","","1.101","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208933","15.558","0.002","15.609","0.002","20.746","0.002","104.25","0.004","95.811","0.004","119.308","0.004","4108.9","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H218 N60 Nd4 O97 -","- C120 H144 N60 Nd4 O76 -","- C120 H144 N60 Nd4 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0997","0.0927","","","0.2341","0.238","","","","","","1.071","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208934","15.5784","0.0009","15.6145","0.0009","20.8875","0.0017","104.115","0.003","95.999","0.003","119.254","0.002","4146.1","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H208 Ce4 N60 O92 -","- C120 H144 Ce4 N60 O76 -","- C120 H144 Ce4 N60 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0483","0.044","","","0.1173","0.1204","","","","","","1.052","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208935","15.5568","0.0018","15.6496","0.0019","21.03","0.002","104.42","0.004","95.91","0.004","119.074","0.004","4179.3","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H212 La4 N60 O94 -","- C120 H144 La4 N60 O76 -","- C120 H144 La4 N60 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.084","0.0765","","","0.1871","0.1907","","","","","","1.074","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208936","16.0445","0.0012","27.598","0.002","9.9439","0.0009","90","","95.898","0.009","90","","4379.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 Er2 N2 O17 -","- C45 H31 Er2 N2 O17 -","- C180 H124 Er8 N8 O68 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0587","0.0414","","","0.0967","0.102","","","","","","0.888","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208937","16.0603","0.0005","27.6878","0.0011","9.9639","0.0005","90","","96.019","0.004","90","","4406.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 N2 O17 Yb2 -","- C45 H32 N2 O17 Yb2 -","- C180 H128 N8 O68 Yb8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0543","0.0424","","","0.1039","0.1098","","","","","","1.078","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208938","16.0587","0.0004","27.6658","0.0006","9.9524","0.0003","90","","96.044","0.002","90","","4397","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 Ho2 N2 O17 -","- C45 H32 Ho2 N2 O17 -","- C180 H128 Ho8 N8 O68 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0592","0.0447","","","0.1072","0.1142","","","","","","1.097","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208939","8.8868","0.0005","29.0154","0.0014","16.6276","0.0012","90","","91.827","0.006","90","","4285.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 N2 O19 Tb2 -","- C45 H36 N2 O19 Tb2 -","- C180 H144 N8 O76 Tb8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0647","0.0356","","","0.0908","0.1022","","","","","","0.64","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208940","8.898","0.0004","28.9894","0.0012","16.6177","0.0006","90","","91.95","0.004","90","","4284","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Dy2 N2 O19 -","- C45 H36 Dy2 N2 O19 -","- C180 H144 Dy8 N8 O76 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0818","0.0675","","","0.1598","0.1688","","","","","","1.477","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208941","8.9134","0.0003","29.0448","0.001","16.6484","0.0005","90","","91.909","0.003","90","","4307.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Eu2 N2 O19 -","- C45 H36 Eu2 N2 O19 -","- C180 H144 Eu8 N8 O76 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.068","0.0538","","","0.156","0.1715","","","","","","1.161","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208942","18.055","0.0004","16.3958","0.0003","29.0934","0.0007","90","","90","","90","","8612.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H32 La2 N2 O18 -","- C45 H32 La2 N2 O18 -","- C360 H256 La16 N16 O144 -","8","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0457","0.0259","","","0.077","0.0855","","","","","","0.58","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208943","23.4064","0.001","5.9565","0.0002","33.4858","0.0017","90","","121.375","0.003","90","","3985.9","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C42 H36 O21 Sm2 -","- C42 H36 O21 Sm2 -","- C168 H144 O84 Sm8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0528","0.0338","","","0.0693","0.0724","","","","","","0.962","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208944","23.571","0.005","14.997","0.003","20.221","0.004","90","","93.55","0.03","90","","7134","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cu2 Mo4 N8 O13 -","- C28 H28 Cu2 Mo4 N8 O13 -","- C224 H224 Cu16 Mo32 N64 O104 -","8","1","","Hou, Guang-Feng; Wang, Xiao-Dan; Yu, Ying-Hui; Gao, Jin-Sheng; Wen, Bo; Yan, Peng-Fei","A new topology constructed from an octamolybdate and metallomacrocycle coordination complex","CrystEngComm","2013","15","2","249","","10.1039/c2ce26250a","","","0.71073","MoKα","","0.052","0.0389","","","0.0617","0.0652","","","","","","1.058","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208945","11.0516","0.0008","12.4783","0.001","12.7662","0.001","105.868","0.001","98.2301","0.001","115.649","0.0011","1455.5","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Eu4 N6 O41 S2 Zn -","- C40 H46 Eu4 N6 O41 S2 Zn -","- C40 H46 Eu4 N6 O41 S2 Zn -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0359","0.028","","","0.0653","0.0697","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208946","10.9441","0.0013","12.4765","0.0015","12.7277","0.0016","105.947","0.002","98.136","0.002","115.568","0.001","1438","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 N6 O41 S2 Tb4 Zn -","- C40 H46 N6 O41 S2 Tb4 Zn -","- C40 H46 N6 O41 S2 Tb4 Zn -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0322","0.0232","","","0.0542","0.0605","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208947","11.0202","0.0006","12.5108","0.0006","12.9049","0.0011","106.603","0.001","97.781","0.0011","115.596","0.001","1467.13","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Gd4 Mn N6 O41 S2 -","- C40 H46 Gd4 Mn N6 O41 S2 -","- C40 H46 Gd4 Mn N6 O41 S2 -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0294","0.0252","","","0.06","0.0623","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208948","10.7899","0.0015","12.0807","0.0016","14.438","0.0019","76.362","0.002","68.371","0.003","65.305","0.002","1582","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 Dy4 Mn N6 O49 S2 -","- C42 H52 Dy4 Mn N6 O49 S2 -","- C42 H52 Dy4 Mn N6 O49 S2 -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0369","0.0307","","","0.0792","0.0832","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208949","20.81","0.002","8.8755","0.001","8.9926","0.0009","90","","96.024","0.01","90","","1651.8","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 La O10 -","- C12 H21 La O10 -","- C48 H84 La4 O40 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0868","0.0453","","","0.0979","0.1093","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208950","20.7047","0.0004","8.8643","0.0001","8.8911","0.0001","90","","90","","90","","1631.81","0.04","120","2","120","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C12 H21 Ce O10 -","- C12 H21 Ce O10 -","- C48 H84 Ce4 O40 -","4","0.5","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0359","0.0227","","","0.0456","0.0516","","","","","","1.047","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208951","11.0074","0.0013","11.1582","0.0012","12.1118","0.0012","98.66","0.009","103.678","0.009","118.293","0.011","1211.3","0.3","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H28 Ce2 O14 -","- C18 H28 Ce2 O14 -","- C36 H56 Ce4 O28 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0651","0.0538","","","0.1422","0.1545","","","","","","1.073","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208952","34.7924","0.0019","12.5064","0.0008","11.5839","0.0007","90","","90","","90","","5040.5","0.5","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 Eu2 O15 -","- C18 H30 Eu2 O15 -","- C144 H240 Eu16 O120 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0591","0.051","","","0.1205","0.126","","","","","","1.073","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208953","34.6706","0.0011","12.5002","0.0003","11.5584","0.0004","90","","90","","90","","5009.3","0.3","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 O15 Tb2 -","- C18 H30 O15 Tb2 -","- C144 H240 O120 Tb16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.043","0.0322","","","0.0562","0.0589","","","","","","1.162","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208954","5.8422","0.0003","9.8906","0.0004","21.5267","0.001","90","","93.957","0.004","90","","1240.91","0.1","120","2","120","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H34 O17 Y2 -","- C18 H32 O17 Y2 -","- C36 H64 O34 Y4 -","2","0.5","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0891","0.086","","","0.1903","0.1918","","","","","","1.241","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208955","5.8717","0.0008","9.8057","0.0018","11.979","0.002","70.102","0.016","80.008","0.013","89.723","0.013","637.6","0.19","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H16 O8 Y -","- C9 H16 O8 Y -","- C18 H32 O16 Y2 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0759","0.0645","","","0.1865","0.1951","","","","","","1.148","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208956","11.1645","0.0005","11.7892","0.001","18.3088","0.0014","89.219","0.006","87.563","0.005","72.844","0.006","2300.5","0.3","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H50 O25 Y4 -","- C36 H50 O25 Y4 -","- C72 H100 O50 Y8 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0633","0.0321","","","0.0627","0.0814","","","","","","0.967","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208957","11.1375","0.0004","18.0442","0.0005","12.7462","0.0004","90","","112.496","0.004","90","","2366.65","0.15","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Lu2 O13 -","- C18 H26 Lu2 O13 -","- C72 H104 Lu8 O52 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0392","0.0308","","","0.0622","0.0663","","","","","","1.04","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208958","11.8632","0.0002","13.0361","0.0003","13.1531","0.0002","116.813","0.002","94.042","0.001","113.589","0.002","1583.45","0.07","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C24 H37 Lu3 O19 -","- C24 H37 Lu3 O19 -","- C48 H74 Lu6 O38 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0248","0.0236","","","0.0634","0.0644","","","","","","1.113","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208959","15.9284","0.0006","16.27","0.0004","11.882","0.0004","90","","92.683","0.003","90","","3075.91","0.17","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Lu3 O17 -","- C24 H33 Lu3 O17 -","- C96 H132 Lu12 O68 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.055","0.0372","","","0.0628","0.0692","","","","","","1.037","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208960","22.7053","0.0011","12.3557","0.0005","8.3931","0.0003","90","","93.878","0.004","90","","2349.21","0.17","120","2","120","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 La O7 -","- C9 H14 La O7 -","- C72 H112 La8 O56 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0429","0.0308","","","0.0604","0.0658","","","","","","1.003","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208961","17.6673","0.0004","17.6673","0.0004","15.1787","0.0006","90","","90","","90","","4737.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H24 O12 Y2 -","- C18 H24 O12 Y2 -","- C144 H192 O96 Y16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0416","0.0393","","","0.0971","0.0985","","","","","","1.088","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208962","15.5367","0.0003","7.2065","0.0001","15.8326","0.0003","90","","106.567","0.001","90","","1699.11","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0487","0.0435","","","0.1091","0.1129","","","","","","1.075","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208963","15.3346","0.0008","7.291","0.0004","16.1284","0.0009","90","","104.857","0.004","90","","1742.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.118","0.0664","","","0.165","0.2032","","","","","","1.024","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208964","7.3283","0.0002","7.7161","0.0002","16.2329","0.0004","90.86","0.001","97.774","0.002","112.116","0.002","840.38","0.04","100","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C36 H34 N2 O12 S2 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0405","0.0355","","","0.0943","0.1069","","","","","","1.099","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208965","10.282","0.0005","14.1275","0.0006","11.8374","0.0005","90","","96.725","0.002","90","","1707.66","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","2","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.169","0.0681","","","0.0893","0.1143","","","","","","1.005","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208966","10.3597","0.0005","13.9938","0.0007","11.8314","0.0006","90","","97.721","0.003","90","","1699.67","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O12 S2 -","- C36 H34 N2 O12 S2 -","- C72 H68 N4 O24 S4 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0773","0.0542","","","0.1225","0.1364","","","","","","1.047","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208967","9.6186","0.0003","11.3663","0.0004","11.7792","0.0006","61.273","0.002","76.368","0.003","67.977","0.002","1044.45","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C42 H46 N2 O16 S2 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0925","0.0645","","","0.1488","0.1622","","","","","","1.155","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208968","9.6628","0.0001","12.9705","0.0002","15.2675","0.0002","90","","108.034","0.001","90","","1819.49","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C76 H76 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0501","0.0374","","","0.0946","0.1019","","","","","","1.036","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208969","15.1007","0.001","17.2538","0.0011","31.509","0.002","90","","90","","90","","8209.5","0.9","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C20 H12 Cd N10 -","- C20 H12 Cd N10 -","- C320 H192 Cd16 N160 -","16","0.5","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0258","0.0217","","","0.0593","0.0613","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208970","10.523","0.0013","16.51","0.002","7.4998","0.0009","90","","109.908","0.001","90","","1225.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cd N8 O -","- C10 H8 Cd N8 O -","- C40 H32 Cd4 N32 O4 -","4","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0362","0.0348","","","0.0841","0.0849","","","","","","1.085","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208971","8.0261","0.001","8.7696","0.0011","15.719","0.002","90","","99","0.002","90","","1092.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl N5 Zn -","- C10 H6 Cl N5 Zn -","- C40 H24 Cl4 N20 Zn4 -","4","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0562","0.0466","","","0.1323","0.1393","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208972","9.3824","0.0013","13.4516","0.0019","14.717","0.002","112.547","0.002","96.925","0.002","101.903","0.002","1637.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20.5 Cd2 N12 O4.25 -","- C32 H20.5 Cd2 N12 O4.25 -","- C64 H41 Cd4 N24 O8.5 -","2","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0362","0.0287","","","0.0706","0.0748","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208973","10.0822","0.0011","10.291","0.0012","11.6096","0.0013","102.739","0.001","107.223","0.001","90.824","0.001","1118.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H7.34 Cd2 N5 O9.67 -","- C19 H7.34 Cd2 N5 O9.67 -","- C38 H14.68 Cd4 N10 O19.34 -","2","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.034","0.0306","","","0.0871","0.0898","","","","","","1.081","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208974","8.759","0.0007","25.993","0.002","15.0096","0.0011","90","","103.528","0.001","90","","3322.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 Cd6 N20 O23 -","- C60 H42 Cd6 N20 O23 -","- C120 H84 Cd12 N40 O46 -","2","0.25","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0325","0.0285","","","0.0744","0.0776","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208975","7.0454","0.0004","12.1205","0.0007","13.2868","0.0008","70.681","0.001","86.723","0.001","80.613","0.001","1056.38","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H27 Co N3 O14 S -","- C11 H27 Co N3 O14 S -","- C22 H54 Co2 N6 O28 S2 -","2","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0395","0.0365","","","0.0964","0.0981","","","","","","1.077","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208976","24.075","0.007","9.496","0.003","14.226","0.004","90","","122.425","0.004","90","","2745.2","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cu N3 O7 S -","- C11 H13 Cu N3 O7 S -","- C88 H104 Cu8 N24 O56 S8 -","8","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0482","0.0412","","","0.1081","0.1152","","","","","","1.051","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208977","8.6706","0.0008","21.5919","0.0019","6.9169","0.0006","90","","90.171","0.001","90","","1294.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cd N3 O6 S -","- C11 H11 Cd N3 O6 S -","- C44 H44 Cd4 N12 O24 S4 -","4","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0402","0.0302","","","0.0706","0.075","","","","","","1.079","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208978","13.2467","0.0003","28.8514","0.0008","32.3635","0.0008","90","","90","","90","","12368.9","0.5","133.1","","133.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H87 N5 O5 -","- C67 H87 N5 O5 -","- C536 H696 N40 O40 -","8","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Takahashi, Hiroki; Tamura, Rui","Solid‒gas sorption behavior of a new polymorph of azacalix[5]arene pentamethyl ether as controlled by crystal architecture","CrystEngComm","2013","15","8","1536","","10.1039/c2ce26339d","","","0.71075","MoKα","","","0.088","","","","0.2478","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208979","5.9638","0.0015","12.926","0.003","9.457","0.002","90","","92.71","0.005","90","","728.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu N3 -","- C8 H6 Cu N3 -","- C32 H24 Cu4 N12 -","4","1","","Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun","A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification","CrystEngComm","2013","15","3","447","","10.1039/c2ce26350e","","","0.71073","MoKα","","0.0829","0.0574","","","0.1556","0.2326","","","","","","1.002","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208980","12.3244","0.0002","12.3244","0.0002","5.9519","0.0002","90","","90","","90","","904.04","0.04","293","2","293","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C7 H4 Cu2 N4 S -","- C7 H4 Cu2 N4 S -","- C28 H16 Cu8 N16 S4 -","4","0.5","","Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun","A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification","CrystEngComm","2013","15","3","447","","10.1039/c2ce26350e","","","1.54178","CuKα","","0.0984","0.0905","","","0.2143","0.2168","","","","","","1.119","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208981","22.891","0.002","22.891","0.002","13.1165","0.0011","90","","90","","120","","5952.2","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H104 Cd7 N12 O50 P6 -","- C54 H60 Cd7 N12 O50 P6 -","- C162 H180 Cd21 N36 O150 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0497","0.0443","","","0.1088","0.1123","","","","","","1.148","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208982","22.506","0.0013","22.506","0.0013","13.2344","0.0013","90","","90","","120","","5805.4","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H106 Mn7 N12 O51 P6 -","- C54 H60 Mn7 N12 O51 P6 -","- C162 H180 Mn21 N36 O153 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0929","0.0747","","","0.1814","0.1957","","","","","","1.076","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208983","9.484","0.006","8.377","0.005","18.414","0.012","90","","103.319","0.012","90","","1423.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 Co N2 O8 P -","- C9 H13 Co N2 O8 P -","- C36 H52 Co4 N8 O32 P4 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0897","0.0682","","","0.1635","0.1786","","","","","","1.12","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208984","8.6361","0.0011","10.8402","0.0015","19.795","0.003","90","","95.624","0.003","90","","1844.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cd N5 O4 -","- C20 H13 Cd N5 O4 -","- C80 H52 Cd4 N20 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin","Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages","CrystEngComm","2013","15","2","349","","10.1039/c2ce26386f","","","0.71073","MoKα","","0.0309","0.0251","","","0.0549","0.056","","","","","","0.989","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208985","9.955","0.006","19.393","0.011","10.077","0.006","90","","108.59","0.011","90","","1843.9","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cd N5 O4 -","- C20 H13 Cd N5 O4 -","- C80 H52 Cd4 N20 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin","Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages","CrystEngComm","2013","15","2","349","","10.1039/c2ce26386f","","","0.71073","MoKα","","0.0464","0.0358","","","0.0704","0.074","","","","","","0.915","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208986","59.6523","0.0011","8.2064","0.0001","16.9558","0.0002","90","","95.447","0.001","90","","8262.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Gd4 O42 -","- C84 H48 Gd4 O42 -","- C336 H192 Gd16 O168 -","4","0.5","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71073","MoKα","","0.0653","0.0355","","","0.0696","0.0792","","","","","","0.964","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208987","9.9474","0.0001","15.6416","0.0002","28.7511","0.0004","90","","95.117","0.001","90","","4455.65","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H42 Gd2 O24 -","- C42 H24 Gd2 O24 -","- C168 H96 Gd8 O96 -","4","1","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71073","MoKα","","0.0549","0.0404","","","0.0985","0.1057","","","","","","1.04","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208988","23.662","0.004","6.0657","0.001","29.414","0.006","90","","102.03","0.07","90","","4129","1.7","293","2","293","2","","","","","","","synthesis as described","4","P 1 2/n 1","-P 2yac","13","","","","- C42 H36 La2 O21 -","- C42 H24 La2 O21 -","- C168 H96 La8 O84 -","4","1","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71069","MoKα","","0.0532","0.0353","","","0.0812","0.0886","","","","","","1.024","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208989","12.0511","0.0004","14.9625","0.0005","16.2348","0.0005","76.487","0.003","86.836","0.003","72.44","0.003","2713.33","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 N8 Ni O22.5 Ta -","- C56 H37 N8 Ni O22.511 Ta -","- C112 H74 N16 Ni2 O45.022 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0752","0.0586","","","0.1315","0.1356","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208990","11.6629","0.0003","13.5404","0.0004","16.0209","0.0004","65.972","0.003","80.64","0.002","76.627","0.002","2241.45","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41 N6 Ni O21 Ta -","- C42 H39 N6 Ni O21 Ta -","- C84 H78 N12 Ni2 O42 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0397","0.0321","","","0.0694","0.0731","","","","","","1.022","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208991","11.5314","0.0006","12.6938","0.0006","15.613","0.0008","108.324","0.004","92.332","0.004","109.013","0.004","2024.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H31 N6 Ni O14 Ta -","- C44 H31 N6 Ni O14 Ta -","- C88 H62 N12 Ni2 O28 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0474","0.0277","","","0.0502","0.053","","","","","","0.876","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208992","11.4776","0.0002","12.6662","0.0002","15.53","0.0001","110.145","0.001","90.867","0.001","109.593","0.002","1974.97","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 N6 Ni O14 Ta -","- C43 H29 N6 Ni O14 Ta -","- C86 H58 N12 Ni2 O28 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0212","0.0184","","","0.0433","0.0446","","","","","","1.048","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208993","33.748","0.013","34.172","0.014","3.7629","0.0015","90","","90","","90","","4340","3","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","1,3-Bis(cyanoxime)benzene, monohydrate","1,3-Bis(cyanoxime)benzene, monohydrate","","- C10 H7 N4 O2.5 -","- C10 H7 N4 O2.5 -","- C160 H112 N64 O40 -","16","1","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0872","0.06","","","0.1413","0.1582","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208994","7.9182","0.001","13.0263","0.0016","13.5001","0.0016","90","","90","","90","","1392.5","0.3","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","1,3-bis-cyanoxime(benzene), DMF solvate","1,3-bis-cyanoxime(benzene), DMF solvate","","- C13 H13 N5 O3 -","- C13 H13 N5 O3 -","- C52 H52 N20 O12 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0835","0.0665","","","0.1848","0.1991","","","","","","1.108","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208995","5.1519","0.0009","11.244","0.002","16.37","0.003","90","","90","","90","","948.3","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,4-bis(cyanoxime)benzene","1,4-bis(cyanoxime)benzene","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C40 H24 N16 O8 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0934","0.0635","","","0.1809","0.2028","","","","","","1.081","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208996","6.2397","0.0004","7.8663","0.0005","9.624","0.0006","81.374","0.001","80.696","0.001","72.025","0.001","440.88","0.05","129","2","129","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(cyanoxime)benzene, DMSO solvate","1,4-bis(cyanoxime)benzene, DMSO solvate","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","1","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0305","0.0269","","","0.0706","0.0738","","","","","","1.065","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208997","7.8908","0.0007","16.1902","0.0014","27.1562","0.0019","90","","102.083","0.002","90","","3392.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H60 N12 O16 Pb2 -","- C80 H60 N12 O16 Pb2 -","- C160 H120 N24 O32 Pb4 -","2","0.5","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71073","MoKα","","0.0622","0.0356","","","0.0643","0.0701","","","","","","0.949","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208998","10.589","0.005","22.803","0.005","14.703","0.005","90","","97.504","0.005","90","","3520","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N10 O6 Pb -","- C41 H28 N10 O6 Pb -","- C164 H112 N40 O24 Pb4 -","4","1","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71069","MoKα","","0.1255","0.0484","","","0.099","0.125","","","","","","0.975","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208999","14.32","0.005","14.58","0.005","16.195","0.005","86.729","0.005","84.156","0.005","79.526","0.005","3305.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 N12 O14 Pb3 -","- C72 H60 N12 O14 Pb3 -","- C144 H120 N24 O28 Pb6 -","2","1","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71069","MoKα","","0.0646","0.0371","","","0.1027","0.1351","","","","","","1.029","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7209000","20.463","0.004","20.463","0.004","27.88","0.007","90","","90","","120","","10110","4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16.5 H17.5 N1.5 Na O9.5 V -","- C12 H4 Na O9 V -","- C216 H72 Na18 O162 V18 -","18","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.061","0.0385","","","0.0904","0.0956","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209001","18.079","0.004","16.435","0.003","11.603","0.002","90","","90","","90","","3447.6","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H42 Li N3 O13 V -","- C30 H42 Li N3 O13 V -","- C120 H168 Li4 N12 O52 V4 -","4","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.1045","0.0609","","","0.1293","0.148","","","","","","1.004","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209002","9.2812","0.0005","10.8141","0.0007","17.5421","0.0012","90.146","0.004","96.815","0.004","99.763","0.003","1722.44","0.19","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H45 N3 O11 -","- C35 H45 N3 O11 -","- C70 H90 N6 O22 -","2","1","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.0999","0.0761","","","0.1692","0.1942","","","","","","1.13","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209003","9.5432","0.0016","10.525","0.0019","17.119","0.003","105.358","0.008","93.281","0.009","96.235","0.009","1641.6","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 O11 S2 -","- C32 H40 O11 S2 -","- C64 H80 O22 S4 -","2","1","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.125","0.0587","","","0.1416","0.1827","","","","","","1.006","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209004","21.4901","0.0011","21.4901","0.0011","42.883","0.004","90","","90","","90","","19804","2","143","2","143","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","12C4","","","- C70 H48 O21 Zn4 -","- C70 H48 O21 Zn4 -","- C280 H192 O84 Zn16 -","4","0.25","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.1245","0.0767","","","0.2138","0.2301","","","","","","0.945","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209005","21.4744","0.0013","21.4744","0.0013","21.4744","0.0013","90","","90","","90","","9902.9","1","153","2","153","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","15C5","","","- C60 H24 O13 Zn4 -","- C60 H18 O13 Zn4 -","- C120 H36 O26 Zn8 -","2","0.0208333","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.146","0.0921","","","0.2759","0.315","","","","","","1.105","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209006","17.79","0.002","15.5454","0.0017","9.3054","0.001","90","","114.886","0.002","90","","2334.5","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","1_CS2","","","- C44.87 H44 Cd2 Cl4 N8 S1.74 -","- C44.87 H44 Cd2 Cl4 N8 S1.74 -","- C89.74 H88 Cd4 Cl8 N16 S3.48 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0449","0.0427","","","0.1063","0.1078","","","","","","1.105","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209007","17.179","0.002","15.8014","0.0019","9.6965","0.0011","90","","114.179","0.002","90","","2401.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","2_2MeOH","","","- C46 H52 Br4 Cd2 N8 O2 -","- C46 H52 Br4 Cd2 N8 O2 -","- C92 H104 Br8 Cd4 N16 O4 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0385","0.0331","","","0.0815","0.0848","","","","","","1.04","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209008","17.478","0.002","15.809","0.002","9.3913","0.0013","90","","114.457","0.002","90","","2362.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44.87 H44 Br4 Cd2 N8 S1.74 -","- C44.87 H44 Br4 Cd2 N8 S1.74 -","- C89.74 H88 Br8 Cd4 N16 S3.48 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0624","0.0439","","","0.0929","0.0994","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209009","18.001","0.003","15.844","0.003","9.353","0.0015","90","","114.239","0.003","90","","2432.4","0.7","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","2_vac","","","- C44 H44 Br4 Cd2 N8 -","- C44 H44 Br4 Cd2 N8 -","- C88 H88 Br8 Cd4 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0928","0.0454","","","0.0937","0.1125","","","","","","0.97","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209010","17.799","0.002","16.188","0.002","9.4162","0.0012","90","","113.843","0.002","90","","2481.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CH2Cl2","","","- C45 H46 Cd2 Cl2 I4 N8 -","- C45.04 H46.08 Cd2 Cl2.08 I4 N8 -","- C90.08 H92.16 Cd4 Cl4.16 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0407","0.0311","","","0.0674","0.09","","","","","","1.165","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209011","18.281","0.003","16.193","0.003","9.2445","0.0017","90","","113.271","0.003","90","","2514","0.8","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CHCl3","","","- C45 H45 Cd2 Cl3 I4 N8 -","- C45 H45 Cd2 Cl3 I4 N8 -","- C90 H90 Cd4 Cl6 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0585","0.0535","","","0.1419","0.1447","","","","","","1.109","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209012","17.584","0.003","16.19","0.003","9.4187","0.0015","90","","113.809","0.002","90","","2453.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CS2","","","- C44.76 H44 Cd2 I4 N8 S1.52 -","- C44.76 H44 Cd2 I4 N8 S1.52 -","- C89.52 H88 Cd4 I8 N16 S3.04 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0869","0.0775","","","0.1562","0.1596","","","","","","1.347","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209013","18.081","0.002","16.3388","0.0018","9.322","0.001","90","","113.628","0.002","90","","2523.1","0.5","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","3_vac","","","- C44 H44 Cd2 I4 N8 -","- C44 H44 Cd2 I4 N8 -","- C88 H88 Cd4 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0577","0.052","","","0.143","0.148","","","","","","1.098","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209014","20.94","0.004","10.563","0.002","14.998","0.003","90","","91.14","0.03","90","","3316.7","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-p-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C128 H112 N32 S32 -","16","2","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.0466","0.033","","","0.077","0.0844","","","","","","1.086","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209015","5.9118","0.0012","13.36","0.003","10.963","0.002","90","","105.11","0.03","90","","835.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-m-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C32 H28 N8 S8 -","4","2","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.0371","0.0362","","","0.0935","0.0945","","","","","","1.048","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209016","7.8589","0.0016","14.917","0.003","55.362","0.011","90","","92.445","0.003","90","","6484","2","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-o-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C256 H224 N64 S64 -","32","8","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.1679","0.0746","","","0.1366","0.1696","","","","","","0.983","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209017","7.7097","0.0011","19.332","0.002","9.3678","0.0012","90","","93.144","0.009","90","","1394.1","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","2","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0582","0.0359","","","0.0767","0.0864","","","","","","1.022","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209018","9.893","0.0002","9.893","0.0002","40.122","0.0016","90","","90","","90","","3926.8","0.19","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C22 H30 O2 -","- C22 H30 O2 -","- C176 H240 O16 -","8","1","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0958","0.0531","","","0.0894","0.1012","","","","","","1.057","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209019","9.4979","0.0004","16.7194","0.0006","5.6273","0.0002","90","","90","","90","","893.61","0.06","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0426","0.0336","","","0.0879","0.0941","","","","","","1.059","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209020","9.6636","0.0024","23.3522","0.0052","11.4105","0.0027","90","","114.896","0.0147","90","","2335.7","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Br O -","- C11 H15 Br O -","- C88 H120 Br8 O8 -","8","4","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0931","0.0435","","","0.0813","0.0937","","","","","","0.936","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209021","19.2144","0.0006","13.7947","0.0004","23.5076","0.0007","90","","106.596","0.0016","90","","5971.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C256 H288 O32 -","16","4","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.1185","0.0861","","","0.2584","0.3044","","","","","","1.066","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209022","12.4527","0.0018","13.616","0.002","13.984","0.002","90","","90","","90","","2371.1","0.6","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C2 H6 Mn O6 S -","- C2 H6 Mn O6 S -","- C32 H96 Mn16 O96 S16 -","16","0.5","","Ge, Gen-Wu; Qi, Zhi-Yuan; Miao, Yu-Run; Du, Hong-Bin; You, Xiao-Zeng","The synthesis, structure and magnetism studies of two manganese sulfates with a 3D zeolite GIS framework and 1D chain structure","CrystEngComm","2013","15","3","435","","10.1039/c2ce26441b","","","0.71073","MoKα","","0.021","0.0202","","","0.0553","0.0558","","","","","","1.05","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209023","13.0864","0.001","11.9903","0.0009","14.3224","0.0011","90","","90.897","0.002","90","","2247.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Mn2 N4 O18 S4 -","- C8 H28 Mn2 N4 O18 S4 -","- C32 H112 Mn8 N16 O72 S16 -","4","1","","Ge, Gen-Wu; Qi, Zhi-Yuan; Miao, Yu-Run; Du, Hong-Bin; You, Xiao-Zeng","The synthesis, structure and magnetism studies of two manganese sulfates with a 3D zeolite GIS framework and 1D chain structure","CrystEngComm","2013","15","3","435","","10.1039/c2ce26441b","","","0.71073","MoKα","","0.0568","0.0447","","","0.1167","0.1238","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209024","4.0517","0.0004","13.9045","0.0014","10.2601","0.0011","90","","94.72","0.004","90","","576.06","0.1","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C22 H26 N6 O6 -","2","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0396","0.0363","","","0.0957","0.0995","","","","","","1.072","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209025","21.0949","0.0017","10.5185","0.0008","3.8315","0.0004","90","","90","","90","","850.16","0.13","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0316","0.0299","","","0.0747","0.0759","","","","","","1.125","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209026","11.4954","0.0017","10.6744","0.0017","15.506","0.003","90","","90","","90","","1902.7","0.6","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C88 H72 N24 O8 -","8","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0495","0.0377","","","0.092","0.0987","","","","","","1.037","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209027","13.9556","0.0014","10.0763","0.0011","8.6383","0.0008","90","","101.106","0.003","90","","1192","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0384","0.0347","","","0.0912","0.0939","","","","","","1.043","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209028","21.6741","0.0018","3.7762","0.0003","21.1734","0.0018","90","","102.254","0.005","90","","1693.5","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C88 H64 N16 O8 -","8","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0377","0.0349","","","0.092","0.0951","","","","","","1.079","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209029","14.2517","0.0008","8.1077","0.0006","8.9124","0.0006","90","","90","","90","","1029.81","0.12","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","0.5","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0397","0.0384","","","0.0942","0.0952","","","","","","1.07","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209030","9.1149","0.0002","10.1937","0.0002","10.128","0.0002","90","","91.9285","0.0012","90","","940.51","0.03","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0326","0.0307","","","0.0771","0.0789","","","","","","1.047","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209031","34.844","0.003","13.5225","0.0011","6.7362","0.0005","90","","91.412","0.003","90","","3173","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Ag2 F0 N12 O4 S0 -","- C44 H36 Ag2 N12 O4 -","- C88 H72 Ag4 N24 O8 -","2","0.25","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0654","0.0578","","","0.1581","0.1621","","","","","","1.189","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209032","11.3883","0.0012","9.4818","0.001","15.1208","0.0016","90","","110.395","0.004","90","","1530.4","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag F3 N3 O4 S -","- C12 H9 Ag F3 N3 O4 S -","- C48 H36 Ag4 F12 N12 O16 S4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0317","0.0292","","","0.071","0.0726","","","","","","1.122","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209033","12.0134","0.0006","9.9549","0.0005","13.2918","0.0007","90","","90.9902","0.0014","90","","1589.36","0.14","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Ag F3 N3 O5 S -","- C12 H11 Ag F3 N3 O5 S -","- C48 H44 Ag4 F12 N12 O20 S4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0512","0.0485","","","0.0991","0.1009","","","","","","1.208","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209034","10.2591","0.0008","10.2823","0.0008","11.0872","0.0015","96.288","0.005","103.286","0.005","116.555","0.004","987.45","0.18","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H9 Ag2 F6 N3 O7 S2 -","- C13 H9 Ag2 F6 N3 O7 S2 -","- C26 H18 Ag4 F12 N6 O14 S4 -","2","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0415","0.0373","","","0.1009","0.108","","","","","","1.066","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209035","13.64","0.002","10.7221","0.0019","18.581","0.003","90","","96.22","0.002","90","","2701.5","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N4 O10 P3 -","- C24 H27 N4 O10 P3 -","- C96 H108 N16 O40 P12 -","4","1","","Chen, Shuo-ping; Deng, Pu; Yuan, Chu-feng; Yuan, Liang-jie","A novel organic salt with water/humidity-induced fluorescence switching and heat-induced coloration performance","CrystEngComm","2013","15","7","1414","","10.1039/c2ce26457a","","","0.71073","MoKα","","0.0743","0.0565","","","0.1562","0.1664","","","","","","1.1","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209036","37.4921","0.0009","37.4921","0.0009","37.4921","0.0009","90","","90","","90","","52701","2","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C141.17 H156.92 Cl7.75 Co N10 O8.58 -","- C140 H144 Cl6 Co N10 O8 -","- C1680 H1728 Cl72 Co12 N120 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6884","synchrotron","","0.1797","0.1455","","","0.4179","0.4358","","","","","","1.581","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209037","37.5208","0.0002","37.5208","0.0002","37.5208","0.0002","90","","90","","90","","52822.2","0.5","150","2","150","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C147.33 H174.33 Cl10.08 Co N9 O11.33 -","- C134 H144 Cl0.0833333 Co N9 O8 -","- C1608 H1728 Cl Co12 N108 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0676","0.0611","","","0.1842","0.1901","","","","","","1.085","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209038","37.1172","0.0004","37.1172","0.0004","37.1172","0.0004","90","","90","","90","","51135.9","1","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C136.33 H155.33 Cl0.17 Co N9 O13.33 -","- C133.6 H144 Cl0.166667 Co N9 O10.5 -","- C1603.2 H1728 Cl2 Co12 N108 O126 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6709","synchrotron","","0.1838","0.1444","","","0.4132","0.4396","","","","","","1.651","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209039","37.5512","0.0003","37.5512","0.0003","37.5512","0.0003","90","","90","","90","","52950.7","0.7","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169.08 H215.58 Co N9 O20.75 -","- C133.732 H144 Co N9 O9 -","- C1604.78 H1728 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0944","0.0876","","","0.2881","0.3008","","","","","","1.338","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209040","37.627","0.004","37.627","0.004","37.627","0.004","90","","90","","90","","53272","10","150","2","150","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H150.25 Br2 Cl4.25 Co N8 O9.42 -","- C128 H144 Br2 Co N8 O8 -","- C1536 H1728 Br24 Co12 N96 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1351","0.1172","","","0.3544","0.3724","","","","","","1.471","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209041","37.2791","0.0003","37.2791","0.0003","37.2791","0.0003","90","","90","","90","","51807.9","0.7","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H155.08 Br0.88 Cl4.25 Co N8 O11.42 -","- C128 H144 Br0.87 Co N8 O10 -","- C1536 H1728 Br10.44 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1228","0.1025","","","0.3268","0.3473","","","","","","1.375","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209042","37.017","0.004","37.017","0.004","37.017","0.004","90","","90","","90","","50723","9","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.17 H153.42 Br1.32 Cl3.25 Co N8 O11.08 -","- C128 H144 Br1.317 Co N8 O10 -","- C1536 H1728 Br15.804 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.158","0.1359","","","0.3776","0.4015","","","","","","1.535","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209043","37.458","0.005","37.458","0.005","37.458","0.005","90","","90","","90","","52557","12","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H157 Co N9 O8 -","- C132 H155 Co N9 O10 -","- C1584 H1860 Co12 N108 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1497","0.1354","","","0.389","0.3993","","","","","","1.6","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209044","37.23","0.004","37.23","0.004","37.23","0.004","90","","90","","90","","51603","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C128 H146 Cl2 Co N8 O10 -","- C128 H144 Cl2 Co N8 O10 -","- C1536 H1728 Cl24 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1885","0.1749","","","0.465","0.4776","","","","","","2.003","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209045","37.365","0.004","37.365","0.004","37.365","0.004","90","","90","","90","","52167","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.5 H154.25 Cl5.02 Co N8 O11.25 -","- C128 H144 Cl1.35 Co N8 O10 -","- C1536 H1728 Cl16.2 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1491","0.1318","","","0.3742","0.3949","","","","","","1.647","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209046","37.6395","0.0003","37.6395","0.0003","37.6395","0.0003","90","","90","","90","","53325.1","0.7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130 H157.17 Cl1.5 Co N8 O12.67 -","- C129 H144 Co N8 O12 -","- C1548 H1728 Co12 N96 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1101","0.1043","","","0.3445","0.3528","","","","","","1.603","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209047","37.5719","0.0016","37.5719","0.0016","37.5719","0.0016","90","","90","","90","","53038","4","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C135.5 H157.17 Co N12 O8.75 -","- C134 H144 Co N12 O10.0833 -","- C1608 H1728 Co12 N144 O121 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6939","synchrotron","","0.1037","0.0835","","","0.2717","0.295","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209048","37.603","0.003","37.603","0.003","37.603","0.003","90","","90","","90","","53170","7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C144.5 H184.25 Cl9.75 Co N12 O15.25 -","- C138 H144 Co N12 O12 -","- C1656 H1728 Co12 N144 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1223","0.1171","","","0.3932","0.4004","","","","","","1.865","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209049","37.3922","0.0002","37.3922","0.0002","37.3922","0.0002","90","","90","","90","","52280.9","0.5","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C152.5 H176.5 Co N11.5 O8.5 -","- C152.5 H176 Co N11.5 O8.5 -","- C1830 H2112 Co12 N138 O102 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1611","0.1508","","","0.4504","0.4565","","","","","","2.143","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209050","37.4908","0.0002","37.4908","0.0002","37.4908","0.0002","90","","90","","90","","52695.6","0.5","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H155 Cl3 Co N9 O9 -","- C132 H145 Cl3 Co N9 O9 -","- C1584 H1740 Cl36 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.671","synchrotron","","0.1843","0.1458","","","0.4153","0.459","","","","","","2.041","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209051","21.336","0.008","16.819","0.006","18.474","0.007","90","","114.455","0.005","90","","6035","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H146 Cl6 Co N8 O8 -","- C130 H146 Cl6 Co N8 O8 -","- C260 H292 Cl12 Co2 N16 O16 -","2","0.5","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.0732","0.0684","","","0.1882","0.1949","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209052","21.8547","0.0012","21.8547","0.0013","16.8466","0.0012","90","","90","","120","","6968.4","0.8","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 Cu3 N12 O6 S3 -","- C33 H54 Cu3 N12 O6 S3 -","- C198 H324 Cu18 N72 O36 S18 -","6","0.333333","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.0492","0.0299","","","0.0645","0.0712","","","","","","1.036","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209053","20.274","0.003","20.274","0.003","11.094","0.002","90","","90","","120","","3949.1","1.1","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C49 H64 Cu3 N6 O13 -","- C49.02 H60.03 Cu3 N6 O12.99 -","- C147.06 H180.09 Cu9 N18 O38.97 -","3","0.333333","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.0492","0.0384","","","0.075","0.0783","","","","","","1.017","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209054","16.5587","0.0011","12.7837","0.0011","19.7939","0.0012","90","","110.863","0.005","90","","3915.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 Cu3 N15 O6 -","- C29 H38 Cu3 N15 O6 -","- C116 H152 Cu12 N60 O24 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.1293","0.0599","","","0.1025","0.1209","","","","","","0.966","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209055","17.353","0.0008","17.7311","0.0008","7.5449","0.0003","90","","90.105","0.001","90","","2321.47","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Co0.5 N O7.5 P2 -","- C7 H12 Co0.5 N O7.5 P2 -","- C56 H96 Co4 N8 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0427","0.0351","","","0.0955","0.0995","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209056","17.3268","0.0006","17.6256","0.0006","7.5134","0.0003","90","","90.08","0.001","90","","2294.55","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 N Ni0.5 O7.5 P2 -","- C7 H12 N Ni0.5 O7.5 P2 -","- C56 H96 N8 Ni4 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0372","0.0348","","","0.0966","0.0983","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209057","17.0884","0.0011","18.6492","0.0011","7.5691","0.0004","90","","90.174","0.001","90","","2412.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co0.5 N O7.5 P2 -","- C8 H12 Co0.5 N O7.5 P2 -","- C64 H96 Co4 N8 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0496","0.0377","","","0.1011","0.1075","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209058","17.096","0.0008","18.5599","0.0008","7.5289","0.0004","90","","90.223","0.001","90","","2388.9","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N Ni0.5 O7.5 P2 -","- C8 H12 N Ni0.5 O7.5 P2 -","- C64 H96 N8 Ni4 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0592","0.0482","","","0.1956","0.2264","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209059","14.1357","0.0007","14.1357","0.0007","17.7983","0.0017","90","","90","","90","","3556.4","0.4","100","2","100","2","","","","","","","","8","I 4","I 4","79","","","","- C112 H132 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","1","0.125","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.078","0.0664","","","0.1935","0.2046","","","","","","0.97","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209060","13.5842","0.0004","13.5842","0.0004","14.8502","0.0009","90","","90","","120","","2373.18","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C28 H30 Cl2 Cu N8 O5 -","- C28 H30 Cl2 Cu N8 O5 -","- C84 H90 Cl6 Cu3 N24 O15 -","3","0.5","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.0245","0.0237","","","0.0785","0.0799","","","","","","0.685","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209061","13.292","0.003","15.146","0.003","19.946","0.004","90","","102.23","0.03","90","","3924.4","1.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H55 B N10 Ni2 O47 W12 -","- C50 H40 B N10 Ni2 O47 W12 -","- C100 H80 B2 N20 Ni4 O94 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.0993","0.0646","","","0.127","0.1468","","","","","","1.067","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209062","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Cl2 N10 Ni2 O43 Si W12 -","- C50 H40 Cl2 N10 Ni2 O43 Si W12 -","- C100 H80 Cl4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.119","0.0698","","","0.1645","0.2042","","","","","","1.034","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209063","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Br2 N10 Ni2 O43 Si W12 -","- C50 H40 Br2 N10 Ni2 O43 Si W12 -","- C100 H80 Br4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.1266","0.0772","","","0.1844","0.2161","","","","","","1.049","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209064","12.216","0.002","17.998","0.003","21.073","0.004","68.599","0.002","86.811","0.002","83.191","0.002","4282.9","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Cd2 N18 O126 Si3 W36 -","- C90 H72 Cd2 N18 O126 Si3 W36 -","- C90 H72 Cd2 N18 O126 Si3 W36 -","1","0.5","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.1218","0.0695","","","0.1633","0.1883","","","","","","1.047","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209065","12.2184","0.0012","17.9919","0.0018","21.077","0.002","68.66","0.002","86.836","0.002","83.211","0.002","4285.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Cu2 N18 O126 Si3 W36 -","- C90 H72 Cu2 N18 O126 Si3 W36 -","- C90 H72 Cu2 N18 O126 Si3 W36 -","1","0.5","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.0879","0.0633","","","0.1302","0.1423","","","","","","1.097","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209066","16.523","0.0001","15.9952","0.0003","5.4792","0.0003","90","","90","","90","","1448.09","0.08","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0425","0.0357","","","0.0911","0.096","","","","","","1.027","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209067","27.495","0.002","14.043","0.002","4.0898","0.0004","90","","90","","90","","1579.1","0.3","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0697","0.0428","","","0.0932","0.1057","","","","","","1.061","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209068","9.3853","0.0014","9.5439","0.0019","10.2148","0.0016","79.25","0.013","66.306","0.01","80.437","0.013","818.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N6 O4.5 Zn -","- C14 H12 N6 O4.5 Zn -","- C28 H24 N12 O9 Zn2 -","2","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0747","0.0495","","","0.1342","0.2245","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209069","9.478","0.002","9.956","0.003","11.461","0.004","85.54","0.02","82.98","0.02","63.499","0.016","960.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N7 O9 Zn -","- C14 H11 N7 O9 Zn -","- C28 H22 N14 O18 Zn2 -","2","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0639","0.0537","","","0.1381","0.1469","","","","","","1.091","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209070","20.91","0.004","10.2807","0.0013","20.029","0.003","90","","120.564","0.003","90","","3707.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 I N6 O6 Zn -","- C14 H15 I N6 O6 Zn -","- C112 H120 I8 N48 O48 Zn8 -","8","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0524","0.0413","","","0.1233","0.1357","","","","","","1.028","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209071","13.178","0.004","14.361","0.004","16.553","0.004","90","","101.428","0.006","90","","3070.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N12 O13 S Zn -","- C20 H32 N12 O13 S Zn -","- C80 H128 N48 O52 S4 Zn4 -","4","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0952","0.0675","","","0.1498","0.1629","","","","","","1.098","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209072","7.0083","0.0016","16.147","0.003","17.274","0.004","90","","93.804","0.006","90","","1950.5","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N6 O9 Zn -","- C15 H14 N6 O9 Zn -","- C60 H56 N24 O36 Zn4 -","4","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.71075","MoKα","","0.0694","0.0557","","","0.1425","0.1515","","","","","","1.064","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209073","17.86","0.002","9.6438","0.001","23.297","0.003","90","","104.683","0.003","90","","3881.6","0.8","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 N12 O16.5 Zn3 -","- C30 H30 N12 O16.5 Zn3 -","- C120 H120 N48 O66 Zn12 -","4","0.5","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.71075","MoKα","","0.1118","0.0688","","","0.1492","0.1694","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209074","10.7197","0.0002","11.1072","0.0002","13.5033","0.0003","66.951","0.001","68.682","0.001","85.301","0.001","1374.78","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H78 O4 -","- C66 H78 O4 -","- C66 H78 O4 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0654","0.0456","","","0.1096","0.1216","","","","","","1.006","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209075","14.2198","0.0006","16.0642","0.0008","9.3447","0.0004","90","","105.109","0.002","90","","2060.82","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 N2 O2 -","- C52 H52 N2 O2 -","- C104 H104 N4 O4 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0643","0.0436","","","0.1059","0.1178","","","","","","1.015","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209076","27.8442","0.0011","9.5895","0.0003","14.243","0.0006","90","","90.527","0.002","90","","3802.9","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C50 H46 O4 -","- C50 H46 O4 -","- C200 H184 O16 -","4","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0712","0.0585","","","0.1545","0.1627","","","","","","1.077","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209077","10.6049","0.0002","11.0553","0.0003","13.1571","0.0003","106.016","0.001","95.625","0.001","93.744","0.001","1468.64","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H84 N2 O2 -","- C68 H84 N2 O2 -","- C68 H84 N2 O2 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0602","0.044","","","0.1197","0.1359","","","","","","1.002","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209078","8.975","0.0002","10.0343","0.0002","12.5415","0.0003","93.415","0.001","100.351","0.001","110.989","0.001","1027.87","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H50 O4 -","- C52 H50 O4 -","- C52 H50 O4 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0659","0.0557","","","0.1476","0.1575","","","","","","1.029","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209079","11.4578","0.0002","12.9959","0.0002","14.1065","0.0003","64.774","0.001","80.205","0.001","73.551","0.001","1819.47","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 O4 -","- C48 H42 O4 -","- C96 H84 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0487","0.0387","","","0.11","0.1192","","","","","","0.985","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209080","12.1123","0.0003","15.8485","0.0004","27.3301","0.0007","90","","99.504","0.001","90","","5174.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 O3 -","- C64 H72 O3 -","- C256 H288 O12 -","4","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.1105","0.0526","","","0.1143","0.1419","","","","","","1.005","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209081","15.4565","0.0002","28.6559","0.0003","16.8825","0.0002","90","","91.2664","0.0006","90","","7475.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H44 Cd7.5 N51 O6.5 -","- C42.5 H35 Cd7.5 N51 O6.5 -","- C170 H140 Cd30 N204 O26 -","4","1","","Bai, Shi-Qiang; Fang, Chen-Jie; He, Zheng; Gao, En-Qing; Yan, Chun-Hua; Hor, T. S. Andy","Azide-bridged Cd(ii) 1D coordination polymer with Cd13 nano-crown-like cluster","CrystEngComm","2013","15","4","650","","10.1039/c2ce26525g","","","0.71073","MoKα","","0.0994","0.037","","","0.0677","0.0773","","","","","","0.89","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209082","8.173","0.012","11.626","0.017","11.735","0.017","64.73","0.02","74.09","0.03","89.31","0.03","963","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrate of 1:1 cocrystal of Temozolomide and Formic acid","Hydrate of 1:1 cocrystal of Temozolomide and Formic acid","","- C13 H16 N12 O7 -","- C13 H16 N12 O7 -","- C26 H32 N24 O14 -","2","1","","Babu, N. Jagadeesh; Sanphui, Palash; Nath, Naba K.; Khandavilli, U. B. Rao; Nangia, Ashwini","Temozolomide hydrochloride dihydrate","CrystEngComm","2013","15","4","666","","10.1039/c2ce26528a","","","0.71073","MoKα","","0.118","0.0588","","","0.1247","0.1475","","","","","","0.949","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209083","6.453","0.015","10.37","0.02","17.84","0.04","97.8","0.04","90.44","0.04","98.27","0.04","1170","4","446","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl2 N12 O8 -","- C12 H22 Cl2 N12 O8 -","- C24 H44 Cl4 N24 O16 -","2","1","","Babu, N. Jagadeesh; Sanphui, Palash; Nath, Naba K.; Khandavilli, U. B. Rao; Nangia, Ashwini","Temozolomide hydrochloride dihydrate","CrystEngComm","2013","15","4","666","","10.1039/c2ce26528a","","","0.71073","MoKα","","0.1885","0.1274","","","0.2859","0.3157","","","","","","1.183","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209084","7.1159","0.0014","17.478","0.003","15.208","0.003","90","","96.66","0.03","90","","1878.7","0.6","113","2","113.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C37 H34 Cd Cl2 N8 O10 -","- C37 H28 Cd Cl2 N8 O10 -","- C74 H56 Cd2 Cl4 N16 O20 -","2","0.25","","Liu, Chao; Cui, Guang-Hua; Zou, Kang-Yu; Zhao, Jun-Long; Gou, Xiao-Feng; Li, Zuo-Xi","Unusual six-connected self-catenated network with 5-fold interpenetrated CdSO4 subnets: stepwise synthesis, topology analysis and fluorescence properties","CrystEngComm","2013","15","2","324","","10.1039/c2ce26532j","","","0.71073","MoKα","","0.0551","0.0542","","","0.1452","0.1461","","","","","","1.068","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209085","10.558","0.002","25.831","0.005","16.593","0.003","90","","96.93","0.03","90","","4492.2","1.5","113","2","113.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H28 Cd Cl2 N8 O4 -","- C36 H28 Cd Cl2 N8 O4 -","- C144 H112 Cd4 Cl8 N32 O16 -","4","1","","Liu, Chao; Cui, Guang-Hua; Zou, Kang-Yu; Zhao, Jun-Long; Gou, Xiao-Feng; Li, Zuo-Xi","Unusual six-connected self-catenated network with 5-fold interpenetrated CdSO4 subnets: stepwise synthesis, topology analysis and fluorescence properties","CrystEngComm","2013","15","2","324","","10.1039/c2ce26532j","","","0.71073","MoKα","","0.1078","0.0694","","","0.1566","0.1746","","","","","","1.051","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209086","22.5733","0.0013","4.89448","0.00021","18.3874","0.0009","90","","108.519","0.0027","90","","1926.33","0.17","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","from D:/data/P.Sapui/gsas_26052012/ps1.cif","","","- C21 H18 Cl N O6 -","- C21 H18 Cl N O6 -","- C84 H72 Cl4 N4 O24 -","4","1","","Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini","Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons","CrystEngComm","2013","15","1","34","","10.1039/c2ce26534f","powder diffraction","x-ray","1.5406","","","","","","","","","0.06165","","2.31","","","","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209087","11.858","0.003","4.8452","0.0009","16.785","0.003","90","","102.47","0.02","90","","941.6","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N O6 -","- C21 H18 Cl N O6 -","- C42 H36 Cl2 N2 O12 -","2","1","","Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini","Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons","CrystEngComm","2013","15","1","34","","10.1039/c2ce26534f","","","0.71073","MoKα","","0.1903","0.0882","","","0.1219","0.1598","","","","","","0.998","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209088","46.332","0.002","46.332","0.002","12.6066","0.0006","90","","90","","120","","23436.4","1.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","DiOPrTetraAcidPy","","","- C58 H58 N4 O13 -","- C58 H56 N4 O13 -","- C1044 H1008 N72 O234 -","18","1","","Kennedy, Stuart; Cholewa, Piotr; McIntosh, Ruaraidh D.; Dalgarno, Scott J.","Eliminating disorder in a self-assembled calixarene nanotube","CrystEngComm","2013","15","8","1520","","10.1039/c2ce26536b","","","0.71073","MoKα","","0.1418","0.0977","","","0.2749","0.2901","","","","","","1.739","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209089","8.7709","0.0008","11.2786","0.0011","25.176","0.003","90","","90","","90","","2490.5","0.4","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C4 H18 In3 N3 O2 Te5 -","- C4 H13 In3 N3 O2 Te5 -","- C16 H52 In12 N12 O8 Te20 -","4","0.25","","Hu, Feilong; Zhou, Jian; Liu, Xing; Chen, Rong; Fu, Wensheng; Wei, Yuanchun","A novel 1-D telluridoindate based on rare tetramer [In4Te10]4− unit with photocatalytic properties","CrystEngComm","2013","15","6","1194","","10.1039/c2ce26537k","","","0.71073","MoKα","","0.0401","0.036","","","0.1109","0.1148","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209090","8.9884","0.0009","9.3145","0.0009","9.8343","0.0011","94.624","0.004","104.185","0.003","98.138","0.005","784.49","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 N O12 Zn2 -","- C12 H11 N O12 Zn2 -","- C24 H22 N2 O24 Zn4 -","2","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0548","0.0493","","","0.1351","0.1401","","","","","","1.055","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209091","15.7991","0.0012","11.4257","0.0006","18.7582","0.0012","90","","103.367","0.004","90","","3294.4","0.4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H19 N4 O10 Zn3 -","- C27 H19 N4 O10 Zn3 -","- C108 H76 N16 O40 Zn12 -","4","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0417","0.0369","","","0.1221","0.1287","","","","","","1.022","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209092","6.761","0.002","10.374","0.003","11.889","0.003","92.286","0.004","95.457","0.002","98.643","0.004","819.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cd2 N O12 -","- C12 H13 Cd2 N O12 -","- C24 H26 Cd4 N2 O24 -","2","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0319","0.0232","","","0.0636","0.0887","","","","","","1.088","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209093","18.0861","0.0006","14.2083","0.0003","19.298","0.0005","90","","97.836","0.002","90","","4912.8","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H35 Cd4 N4 O22.5 -","- C34 H22 Cd4 N4 O22.5 -","- C136 H88 Cd16 N16 O90 -","4","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0455","0.0433","","","0.1184","0.1206","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209094","8.4133","0.0017","9.7073","0.0019","11.035","0.002","81.28","0.03","87.91","0.03","75.48","0.03","862.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(2-amino-1,3-benzothiazole-6-carboxylate)-cadmium(ii)","","","- C16 H10 Cd N4 O4 S2 -","- C16 H10 Cd N4 O4 S2 -","- C32 H20 Cd2 N8 O8 S4 -","2","1","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0381","0.0359","","","0.1004","0.1033","","","","","","0.912","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209095","13.655","0.003","13.995","0.003","13.136","0.003","90","","94.14","0.03","90","","2503.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cd N4 O4 S2 -","- C30 H10 Cd N4 O4 S2 -","- C120 H40 Cd4 N16 O16 S8 -","4","0.5","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0781","0.0723","","","0.1873","0.1914","","","","","","1.322","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209096","13.655","0.003","13.995","0.003","13.136","0.003","90","","94.14","0.03","90","","2503.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cd N4 O4 S2 -","- C16 H10 Cd N4 O4 S2 -","- C64 H40 Cd4 N16 O16 S8 -","4","0.5","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0604","0.0528","","","0.1738","0.1793","","","","","","1.239","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209097","32.122","0.017","15.681","0.008","7.105","0.004","90","","90","","90","","3579","3","105","2","105","2","","","","","","","","4","P m n a","-P 2ac 2","53","","2,2'-Bipyridine-5,5'-dicarboxylate.Bis(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a] pyrimidinium)","","- C13 H21 N4 O6.708 -","- C13 H21 N4 O6.71 -","- C104 H168 N32 O53.68 -","8","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials","CrystEngComm","2013","15","3","439","","10.1039/c2ce26572a","","","0.71073","MoKα","","0.1259","0.0632","","","0.1614","0.1995","","","","","","1.008","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209098","8.5504","0.0012","9.4858","0.0013","10.3928","0.0014","66.749","0.001","69.257","0.001","89.901","0.002","714.86","0.17","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N8 O8 -","- C26 H42 N8 O8 -","- C26 H42 N8 O8 -","1","0.5","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials","CrystEngComm","2013","15","3","439","","10.1039/c2ce26572a","","","0.71073","MoKα","","0.0426","0.0382","","","0.103","0.1076","","","","","","1.056","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209099","10.395","0.002","12.82","0.003","13.611","0.003","78.43","0.03","76.51","0.03","74","0.03","1677.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 3-methyl-4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 3-methyl-4-nitrobenzoate.pentahydrate","","- C33 H32 Co N5 O12 -","- C33 H28 Co N5 O12 -","- C66 H56 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0363","0.0313","","","0.0869","0.0906","","","","","","1.031","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209100","10.317","0.002","12.688","0.003","13.277","0.003","76.71","0.03","79.98","0.03","88.97","0.03","1665.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2-chloro-4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-chloro-4-nitrobenzoate.pentahydrate","","- C32 H29 Cl Co N5 O12 -","- C32 H25 Cl Co N5 O12 -","- C64 H50 Cl2 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0496","0.0435","","","0.1298","0.1361","","","","","","1.044","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209101","11.227","0.002","12.46","0.003","15.064","0.003","105.26","0.03","102.43","0.03","100.5","0.03","1920.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- methoxybenzoate.octahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-methoxybenzoate.octahydrate","","- C38 H41 Co N4 O14 -","- C38 H35 Co N4 O14 -","- C76 H70 Co2 N8 O28 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0823","0.0586","","","0.1476","0.1597","","","","","","1.053","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209102","10.287","0.002","13.078","0.003","13.134","0.003","70.22","0.03","83.92","0.03","72.95","0.03","1589.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 4-nitrobenzoate.pentahydrate","","- C32 H30 Co N5 O12 -","- C32 H28 Co N5 O12 -","- C64 H56 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0536","0.0389","","","0.1061","0.1126","","","","","","1.038","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209103","11.284","0.002","12.636","0.003","14.396","0.003","67.41","0.03","77.95","0.03","64.21","0.03","1704.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- iodobenzoate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-iodobenzoate.heptahydrate","","- C32 H34 Co I N4 O12 -","- C32 H34 Co I N4 O12 -","- C64 H68 Co2 I2 N8 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.051","0.0414","","","0.1164","0.122","","","","","","1.076","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209104","10.3056","0.0014","12.0933","0.0014","12.9967","0.0017","79.683","0.005","87.857","0.005","79.362","0.005","1566.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 3- nitrobenzoate.tetrahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 3-nitrobenzoate.tetrahydrate","","- C32 H28 Co N5 O11 -","- C32 H24 Co N5 O11 -","- C64 H48 Co2 N10 O22 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.1112","0.0621","","","0.1291","0.1422","","","","","","1.036","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209105","16.3601","0.0003","16.1545","0.0003","14.0117","0.0003","90","","103.027","0.001","90","","3607.84","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- napthaleneacetate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-napthaleneacetate.heptahydrate","","- C37 H39 Co N4 O12 -","- C37 H39 Co N4 O12 -","- C148 H156 Co4 N16 O48 -","4","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0663","0.0376","","","0.086","0.0939","","","","","","1.037","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209106","13.2762","0.0003","19.9687","0.0005","14.0664","0.0003","90","","115.851","0.001","90","","3355.95","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- chlorobenzoate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-chlorobenzoate.heptahydrate","","- C32 H34 Cl Co N4 O12 -","- C32 H30 Cl Co N4 O12 -","- C128 H120 Cl4 Co4 N16 O48 -","4","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0846","0.0522","","","0.15","0.1681","","","","","","1.061","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209107","8.3012","0.0017","12.94","0.003","14.208","0.003","111.01","0.03","96.22","0.03","91.11","0.03","1413.5","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Nitrofurantoin-pyridine(1:1)","","- C13 H11 N5 O5 -","- C13 H11 N5 O5 -","- C52 H44 N20 O20 -","4","2","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0792","0.0721","","","0.1772","0.1831","","","","","","1.209","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209108","7.0324","0.0014","22.647","0.004","10.031","0.004","90","","112.38","0.02","90","","1477.2","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Nitrofurantoin and 2-Picoline(1:1)","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C56 H52 N20 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0685","0.0603","","","0.1468","0.1595","","","","","","1.174","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209109","6.1489","0.0012","7.4328","0.0015","16.446","0.003","85.35","0.03","85.97","0.03","83.67","0.03","743.2","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Nitrofurantoin-3-picoline(1:1)","Nitrofurantoin-3-picoline(1:1)","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C28 H26 N10 O10 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0634","0.0607","","","0.1577","0.1606","","","","","","1.157","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209110","15.268","0.006","6.4161","0.0019","8.461","0.003","90","","105.286","0.005","90","","799.5","0.5","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","1:1:1 solvate of nitrofurantoin, 3-picoline and water","1:1:1 solvate of nitrofurantoin, 3-picoline and water","","- C14 H15 N5 O6 -","- C14 H15 N5 O6 -","- C28 H30 N10 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71075","MoKα","","0.0345","0.0333","","","0.0823","0.0833","","","","","","1.075","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209111","14.84","0.003","8.0152","0.0016","12.951","0.003","90","","91.12","0.03","90","","1540.2","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 nitrofurantoin and 4-picoline","1:1 nitrofurantoin and 4-picoline","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C56 H52 N20 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.1049","0.0847","","","0.1879","0.2019","","","","","","1.183","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209112","8.1736","0.0016","9.3544","0.0019","11.894","0.002","103.46","0.03","109.31","0.03","90.14","0.03","831.5","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","1:1:1 nitrofurantoin, 2-pyridone and acetonitrile","","- C15 H14 N6 O6 -","- C15 H14 N6 O6 -","- C30 H28 N12 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0642","0.0622","","","0.1714","0.1744","","","","","","1.147","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209113","8.616","0.004","26.655","0.011","7.029","0.003","90","","100.722","0.009","90","","1586.1","1.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:1 salt of nitrofurantoin and 4-dimethylaminopyridine","","- C15 H16 N6 O5 -","- C15 H16 N6 O5 -","- C60 H64 N24 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71075","MoKα","","0.1133","0.0996","","","0.1785","0.1857","","","","","","1.247","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209114","7.2712","0.0015","18.918","0.004","15.451","0.004","90","","117.41","0.02","90","","1886.8","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","","- C17 H17 N7 O6 -","- C17 H17 N7 O6 -","- C68 H68 N28 O24 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0402","0.0382","","","0.0965","0.098","","","","","","1.118","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209115","7.1843","0.0007","11.8503","0.0012","13.9092","0.0014","114.553","0.003","95.716","0.001","91.176","0.002","1069.23","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N7 O10 -","- C20 H19 N7 O10 -","- C40 H38 N14 O20 -","2","1","","Seth, Saikat Kumar; Manna, Prankrishna; Singh, N. Jiten; Mitra, Monojit; Jana, Atish Dipankar; Das, Amrita; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Kim, Kwang S.","Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions","CrystEngComm","2013","15","7","1285","","10.1039/c2ce26577j","","","0.71073","MoKα","","0.0354","0.033","","","0.0894","0.0917","","","","","","1.035","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209116","7.9465","0.0014","8.1567","0.0014","7.9743","0.0014","90","","116.379","0.011","90","","463.05","0.15","435","2","435","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","0.5","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0613","0.0444","","","0.1358","0.1459","","","","","","1.123","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209117","8.0233","0.0001","8.308","0.0002","13.5868","0.0003","90","","90","","90","","905.66","0.03","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C24 H64 Br4 N4 -","4","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0219","0.0187","","","0.0446","0.0463","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209118","7.8586","0.0005","8.0818","0.0005","7.8918","0.0005","90","","116.29","0.004","90","","449.38","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0308","0.023","","","0.0453","0.0459","","","","","","0.864","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209119","22.707","0.003","10.2165","0.0011","15.1394","0.0016","90","","124.543","0.001","90","","2892.9","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H22 Co N4 O6 S -","- C32 H22 Co N4 O6 S -","- C128 H88 Co4 N16 O24 S4 -","4","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.0299","0.0283","","","0.0723","0.0735","","","","","","1.035","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209120","49.698","0.004","7.2513","0.0006","21.8865","0.0019","90","","93.513","0.001","90","","7872.5","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H29 Co2 N6 O11 S -","- C43 H29 Co2 N6 O11 S -","- C344 H232 Co16 N48 O88 S8 -","8","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.0772","0.051","","","0.1237","0.139","","","","","","1.039","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209121","14.909","0.003","7.1963","0.0015","24.592","0.005","90","","104.312","0.002","90","","2556.6","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H15 Co F6 N2 O4 -","- C26 H15 Co F6 N2 O4 -","- C104 H60 Co4 F24 N8 O16 -","4","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.1006","0.067","","","0.1487","0.1653","","","","","","1.015","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209122","39.7834","0.0004","39.7834","0.0004","39.7834","0.0004","90","","90","","90","","62965.9","1.1","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C166 H96 Cu24 N22 O78 -","- C166 H96 Cu24 N22 O78 -","- C1328 H768 Cu192 N176 O624 -","8","0.0416667","","Lian, Ting-Ting; Chen, Shu-Mei; Wang, Fei; Zhang, Jian","Metal‒organic framework architecture with polyhedron-in-polyhedron and further polyhedral assembly","CrystEngComm","2013","15","6","1036","","10.1039/c2ce26611c","","","0.71073","MoKα","","0.0589","0.0479","","","0.1447","0.1568","","","","","","1.117","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209123","18.2266","0.0006","10.3496","0.0004","9.1663","0.0003","90","","90","","90","","1729.11","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H16 N8 O3 Zn -","- C11 H9 N7 O2 Zn -","- C44 H36 N28 O8 Zn4 -","4","1","","Yang, E.; Li, Hong-Yan; Wang, Fei; Yang, Hui; Zhang, Jian","Enhancing CO2 adsorption enthalpy and selectivity via amino functionalization of a tetrahedral framework material","CrystEngComm","2013","15","4","658","","10.1039/c2ce26612a","","","0.71073","MoKα","","0.0509","0.0412","","","0.0951","0.1002","","","","","","1.008","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209124","9.4138","0.0006","12.1688","0.0008","13.0313","0.0009","88.29","0.008","88.203","0.008","71.209","0.008","1412.23","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N10 Ni S2 -","- C22 H24 N10 Ni S2 -","- C44 H48 N20 Ni2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.056","0.0431","","","0.1153","0.1212","","","","","","1.032","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209125","8.1708","0.0006","13.4538","0.0014","15.202","0.0013","101.707","0.011","99.997","0.01","96.51","0.011","1592.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N12 Ni S2 -","- C27 H29 N12 Ni S2 -","- C54 H58 N24 Ni2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0809","0.0633","","","0.167","0.1796","","","","","","0.985","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209126","8.3977","0.0007","11.9808","0.0012","15.0476","0.0012","98.015","0.011","100.532","0.009","94.328","0.011","1466","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N10 Ni O S2 -","- C24 H30 N10 Ni O S2 -","- C48 H60 N20 Ni2 O2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0652","0.0559","","","0.1812","0.1877","","","","","","1.063","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209127","6.9271","0.0007","8.0392","0.001","9.2125","0.001","107.194","0.013","112.256","0.012","99.445","0.013","430.91","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N6 Ni O2 S2 -","- C12 H16 N6 Ni O2 S2 -","- C12 H16 N6 Ni O2 S2 -","1","0.5","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0604","0.0439","","","0.1085","0.1165","","","","","","0.996","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209128","7.3832","0.0004","10.0762","0.0004","13.9767","0.0007","90","","104.536","0.004","90","","1006.51","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N6 Ni O2 S2 -","- C14 H20 N6 Ni O2 S2 -","- C28 H40 N12 Ni2 O4 S4 -","2","0.5","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0339","0.0276","","","0.0695","0.0723","","","","","","1.06","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209129","9.05","0.0007","11.3575","0.0008","24.0133","0.0016","84.29","0.006","85.96","0.006","79.693","0.006","2412.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H44 N18 Ni2 O S4 -","- C39 H44 N18 Ni2 O S4 -","- C78 H88 N36 Ni4 O2 S8 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.1479","0.1077","","","0.2853","0.3258","","","","","","1.067","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209130","18.33206","0.00042","9.39332","0.00022","11.2837","0.00027","90","","124.643","0.0019","90","","1598.56","0.07","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N6 Ni S2 -","- C12 H12 N6 Ni S2 -","- C48 H48 N24 Ni4 S8 -","4","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.512","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7209131","14.2691","0.0011","5.6188","0.0004","13.7419","0.001","90","","101.886","0.009","90","","1078.14","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 Ni S2 -","- C7 H6 N4 Ni S2 -","- C28 H24 N16 Ni4 S8 -","4","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0707","0.0572","","","0.1506","0.1588","","","","","","1.093","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209132","13.8838","0.0008","10.1039","0.0006","18.7348","0.0011","90","","107.125","0.001","90","","2511.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 Cl4 F8 N4 O4 -","- C58 H46 Cl4 F8 N4 O4 -","- C116 H92 Cl8 F16 N8 O8 -","2","0.5","","Akpinar, Handan; Mague, Joel T.; Lahti, Paul M.","A co-crystal of 2-(1′-pyrenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl with octafluoronaphthalene","CrystEngComm","2013","15","5","831","","10.1039/c2ce26621k","","","0.71073","MoKα","","0.0618","0.0442","","","0.1029","0.1161","","","","","","1.048","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209133","18.407","0.004","15.378","0.003","13.471","0.003","90","","128.44","0.03","90","","2986.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Ag5 I7 N2 -","- C14 H18 Ag5 I7 N2 -","- C56 H72 Ag20 I28 N8 -","4","0.5","","Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong","Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study","CrystEngComm","2013","15","9","1721","","10.1039/c2ce26640g","","","0.71069","MoKα","","0.054","0.039","","","0.1196","0.1295","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209134","12.073","0.0017","12.073","0.0017","20.906","0.004","90","","90","","120","","2639","0.7","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H26 Ag5 I7 N2 -","- C18 H26 Ag5 I7 N2 -","- C54 H78 Ag15 I21 N6 -","3","1","","Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong","Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study","CrystEngComm","2013","15","9","1721","","10.1039/c2ce26640g","","","0.71069","MoKα","","0.1064","0.0688","","","0.1801","0.2029","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209135","25.54","0.005","5.14","0.001","22.306","0.005","90","","117.73","0.03","90","","2591.9","1.2","173","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Cu N2 O12 S2 -","- C29 H20 Cu N2 O12 S2 -","- C116 H80 Cu4 N8 O48 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Rodríguez-Hermida, Sabina; Vázquez-López, Ezequiel M.","Control over the preparation of two pH-dependent Cu(ii) supramolecular isomers based on 1,3,5-benzenetricarboxylic acid and the bis(4-pyridylthio)methane ligand","CrystEngComm","2013","15","8","1563","","10.1039/c2ce26652k","","","0.789","synchrotron","","0.0462","0.0454","","","0.125","0.1281","","","","","","1.088","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209136","27.191","0.002","18.5355","0.0014","16.3259","0.0012","90","","126.031","0.001","90","","6654.2","0.9","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 Cu N4 O7 S4 -","- C31 H26 Cu N4 O7 S4 -","- C248 H208 Cu8 N32 O56 S32 -","8","1","","Lago, Ana Belén; Carballo, Rosa; Rodríguez-Hermida, Sabina; Vázquez-López, Ezequiel M.","Control over the preparation of two pH-dependent Cu(ii) supramolecular isomers based on 1,3,5-benzenetricarboxylic acid and the bis(4-pyridylthio)methane ligand","CrystEngComm","2013","15","8","1563","","10.1039/c2ce26652k","","","0.71073","MoKα","","0.0517","0.0324","","","0.0747","0.087","","","","","","1.071","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209137","7.6554","0.0004","8.3794","0.0004","9.4395","0.0004","78.649","0.001","69.631","0.001","73.884","0.001","541.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Br2 Hg N2 -","- C9 H8 Br2 Hg N2 -","- C18 H16 Br4 Hg2 N4 -","2","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera, A.; Hassanpoor, A.","Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies","CrystEngComm","2013","15","7","1404","","10.1039/c2ce26658j","","","0.71073","MoKα","","0.0258","0.0238","","","0.0586","0.0596","","","","","","1.033","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209138","7.6657","0.0006","14.5794","0.0012","17.376","0.0014","90","","95.315","0.001","90","","1933.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Hg2.5 I5 N2 -","- C9 H8 Hg2.5 I5 N2 -","- C36 H32 Hg10 I20 N8 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera, A.; Hassanpoor, A.","Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies","CrystEngComm","2013","15","7","1404","","10.1039/c2ce26658j","","","0.71073","MoKα","","0.051","0.0442","","","0.1174","0.1228","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209139","7.1277","0.0013","21.708","0.004","7.7585","0.0014","90","","102.497","0.003","90","","1172","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Ag2 N3 O6 -","- C8 H9 Ag2 N3 O6 -","- C32 H36 Ag8 N12 O24 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0286","0.0276","","","0.0723","0.0729","","","","","","1.082","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209140","13.715","0.0005","10.8413","0.0004","7.3319","0.0003","90","","102.586","0.004","90","","1063.97","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag2 N2 O6 -","- C8 H6 Ag2 N2 O6 -","- C32 H24 Ag8 N8 O24 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0326","0.0288","","","0.0696","0.0714","","","","","","1.119","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209141","13.132","0.003","6.9261","0.0014","24.512","0.005","90","","90","","90","","2229.5","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Ag N2 O7 -","- C8 H9 Ag N2 O7 -","- C64 H72 Ag8 N16 O56 -","8","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0497","0.0413","","","0.1026","0.1092","","","","","","1.048","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209142","6.7018","0.0013","22.923","0.005","15.748","0.003","90","","96.49","0.03","90","","2403.8","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Ag4 N6 O13 -","- C16 H20 Ag4 N6 O13 -","- C64 H80 Ag16 N24 O52 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0576","0.0421","","","0.0991","0.1141","","","","","","1.009","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209143","14.7762","0.0003","12.6035","0.0002","14.8514","0.0003","90","","93.044","0.001","90","","2761.9","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cu2 I2 N2 S2 -","- C22 H34 Cu2 I2 N2 S2 -","- C88 H136 Cu8 I8 N8 S8 -","4","1","","Cheon, Sanghun; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun; Park, Ki-Min","Novel heptanuclear copper(i) iodide cluster with a pinwheel shape","CrystEngComm","2013","15","3","451","","10.1039/c2ce26664d","","","0.71073","MoKα","","0.0349","0.0282","","","0.0636","0.067","","","","","","1.037","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209144","13.7721","0.0006","14.5307","0.0007","16.5618","0.0008","104.374","0.001","110.692","0.001","103.503","0.001","2808.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H61 Cu7 I7 N3 O S3 -","- C37 H61 Cu7 I7 N3 O S3 -","- C74 H122 Cu14 I14 N6 O2 S6 -","2","1","","Cheon, Sanghun; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun; Park, Ki-Min","Novel heptanuclear copper(i) iodide cluster with a pinwheel shape","CrystEngComm","2013","15","3","451","","10.1039/c2ce26664d","","","0.71073","MoKα","","0.0651","0.0329","","","0.0745","0.102","","","","","","1.065","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209145","17.182","0.003","17.97","0.004","22.695","0.004","90","","90","","90","","7007","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H46 Cl3 Dy N2 O8 -","- C26 H46 Cl3 Dy N2 O8 -","- C208 H368 Cl24 Dy8 N16 O64 -","8","1","","Zhu, Jing; Song, Hui-Feng; Yan, Peng-Fei; Hou, Guang-Feng; Li, Guang-Ming","Slow relaxation processes of salen type Dy2 complex and 1D ionic spiral Dyn coordination polymer","CrystEngComm","2013","15","9","1747","","10.1039/c2ce26680f","","","0.71073","MoKα","","0.0693","0.0342","","","0.0677","0.0783","","","","","","1.003","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209146","12.389","0.003","22.59","0.004","22.464","0.007","90","","119.74","0.02","90","","5459","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H64 Dy2 N6 O7 -","- C61 H64 Dy2 N6 O7 -","- C244 H256 Dy8 N24 O28 -","4","1","","Zhu, Jing; Song, Hui-Feng; Yan, Peng-Fei; Hou, Guang-Feng; Li, Guang-Ming","Slow relaxation processes of salen type Dy2 complex and 1D ionic spiral Dyn coordination polymer","CrystEngComm","2013","15","9","1747","","10.1039/c2ce26680f","","","0.71073","MoKα","","0.0503","0.0391","","","0.0785","0.0816","","","","","","1.127","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209147","13","0.006","16.363","0.007","3.7037","0.0016","90","","90","","90","","787.8","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H12 Cd Cl2 N6 O5 -","- C10 H12 Cd Cl2 N6 O5 -","- C20 H24 Cd2 Cl4 N12 O10 -","2","0.5","","Seth, Saikat Kumar","Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride","CrystEngComm","2013","15","9","1772","","10.1039/c2ce26682b","","","0.71073","MoKα","","0.032","0.0306","","","0.0727","0.0749","","","","","","1.193","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209148","29.012","0.004","10.4455","0.0012","7.1789","0.0008","90","","92.189","0.004","90","","2173.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H6 Cd Cl3 N3 O2 -","- C5 H6 Cd Cl3 N3 O2 -","- C40 H48 Cd8 Cl24 N24 O16 -","8","1","","Seth, Saikat Kumar","Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride","CrystEngComm","2013","15","9","1772","","10.1039/c2ce26682b","","","0.71073","MoKα","","0.0226","0.0207","","","0.0532","0.0543","","","","","","1.054","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209149","14.591","0.017","8.75","0.007","30.538","0.007","90","","90","","90","","3899","6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H22 Cl2 N4 O2 Pd S -","- C14 H22 Cl2 N4 O2 Pd S -","- C112 H176 Cl16 N32 O16 Pd8 S8 -","8","2","","de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina","Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks","CrystEngComm","2013","15","9","1762","","10.1039/c2ce26687c","","","0.71073","MoKα","","0.0548","0.0285","","","0.062","0.0697","","","","","","1.051","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209150","8.186","0.005","9.317","0.004","13.956","0.006","72.55","0.03","83.78","0.04","72.72","0.04","969.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cl4 N8 O6 Pd2 S2 -","- C28 H44 Cl4 N8 O6 Pd2 S2 -","- C28 H44 Cl4 N8 O6 Pd2 S2 -","1","0.5","","de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina","Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks","CrystEngComm","2013","15","9","1762","","10.1039/c2ce26687c","","","0.71073","MoKα","","0.0605","0.0537","","","0.1519","0.1571","","","","","","1.099","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209151","12.5309","0.0006","12.9417","0.0006","18.394","0.0009","94.407","0.001","93.591","0.001","95.061","0.001","2955.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H40 Cd2 N4 O12 S2 -","- C61 H40 Cd2 N4 O12 S2 -","- C122 H80 Cd4 N8 O24 S4 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0421","0.0356","","","0.1248","0.1365","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209152","18.4538","0.0013","25.3442","0.0017","37.783","0.003","90","","90","","90","","17671","2","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C97 H77 Cd2 N9 O16 S2 -","- C97 H77 Cd2 N9 O16 S2 -","- C776 H616 Cd16 N72 O128 S16 -","8","2","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0861","0.0634","","","0.1291","0.1347","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209153","15.923","0.004","18.233","0.004","19.264","0.007","98.129","0.005","106.949","0.005","115.195","0.004","4608","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H71 Cd2 N9 O13 S2 -","- C97 H71 Cd2 N9 O13 S2 -","- C194 H142 Cd4 N18 O26 S4 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0703","0.052","","","0.1502","0.1583","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209154","11.0361","0.0011","7.7101","0.0007","17.9654","0.0018","90","","105.75","0.002","90","","1471.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","propylammonium deoxycholate acetone clathrate","propylammonium deoxycholate acetone clathrate","","- C30 H55 N O5 -","- C30 H55 N O5 -","- C60 H110 N2 O10 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0554","0.0408","","","0.095","0.1023","","","","","","1.022","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209155","7.7287","0.0006","11.521","0.0009","16.5589","0.0013","81.143","0.002","79.051","0.002","89.485","0.002","1430.03","0.19","173","2","173","2","","","","","","","","4","P 1","P 1","1","di-(propylammonium deoxycholate) hydrate","di-(propylammonium deoxycholate) hydrate","","- C54 H106.26 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","1","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0543","0.0442","","","0.107","0.1134","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209156","14.043","0.003","7.8258","0.0016","14.055","0.003","90","","100.94","0.03","90","","1516.5","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","di-n-butylammonium deoxycholate","di-n-butylammonium deoxycholate","","- C32 H59 N O4 -","- C32 H59 N O4 -","- C64 H118 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0633","0.0413","","","0.0941","0.1028","","","","","","1.03","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209157","23.511","0.004","7.6318","0.0012","18.196","0.003","90","","123.03","0.02","90","","2737.3","1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(R)-2-butylammonium deoxycholate","(R)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C112 H204 N4 O16 -","4","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0663","0.0462","","","0.1115","0.1222","","","","","","1.05","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209158","10.1547","0.0011","7.5678","0.0008","17.645","0.002","90","","90.915","0.003","90","","1355.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-butylammonium deoxycholate","(S)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C56 H102 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0492","0.0403","","","0.0986","0.1046","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209159","11.501","0.002","7.7042","0.0015","17.175","0.003","90","","106.19","0.03","90","","1461.5","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-3-methyl-2-butylammonium deoxycholate","(R)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0869","0.0494","","","0.1192","0.138","","","","","","1.006","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209160","11.026","0.002","7.5245","0.0015","17.6","0.004","90","","105.26","0.03","90","","1408.7","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-3-methyl-2-butylammonium deoxycholate","(S)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0938","0.0425","","","0.0869","0.0989","","","","","","0.964","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209161","18.9143","0.0007","21.0884","0.0009","5.2773","0.0002","90","","90","","90","","2104.97","0.14","100","2","100","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C15 H24 O9 S3 -","- C15 H24 O9 S3 -","- C60 H96 O36 S12 -","4","0.5","","Davey, Roger J.; Brychczynska, Monika; Sadiq, Ghazala; Dent, Geoffrey; Pritchard, Robin G.","Crystallising trimesic acid from DMSO solutions ‒ can crystallography teach us anything about the process of crystal nucleation?","CrystEngComm","2013","15","5","856","","10.1039/c2ce26712h","","x-ray","0.71073","MoKα","","0.1439","0.088","","","0.176","0.2067","","","","","","1.021","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209162","16.95","0.003","13.32","0.003","13.85","0.003","90","","90","","90","","3127","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H20 N10 O4 S2 Zn -","- C24 H20 N10 O4 S2 Zn -","- C96 H80 N40 O16 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0631","0.0598","","","0.2037","0.2162","","","","","","1.147","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209163","17.125","0.003","13.543","0.003","13.762","0.003","90","","90","","90","","3191.7","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C26 H20 F6 N8 S2 Zn -","- C26 H20 F6 N8 S2 Zn -","- C104 H80 F24 N32 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0869","0.0709","","","0.2327","0.2734","","","","","","1.339","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209164","9.928","0.002","11.123","0.002","12.86","0.003","74.09","0.03","89.89","0.03","65.9","0.03","1236.8","0.6","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 F N4 S -","- C12 H11 F N4 S -","- C48 H44 F4 N16 S4 -","4","2","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0459","0.0426","","","0.0917","0.0937","","","","","","1.139","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209165","8.7107","0.0008","16.0126","0.0015","20.772","0.002","90","","90","","90","","2897.3","0.5","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 S -","- C14 H16 N4 S -","- C112 H128 N32 S8 -","8","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0433","0.0373","","","0.0948","0.0992","","","","","","1.028","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209166","8.628","0.0017","14.716","0.003","9.834","0.002","90","","111.82","0.03","90","","1159.2","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N5 S -","- C11 H11 N5 S -","- C44 H44 N20 S4 -","4","2","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.024","0.0238","","","0.0595","0.0596","","","","","","1.07","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209167","7.0476","0.0014","9.2828","0.0019","10.069","0.002","90","","105.45","0.03","90","","634.9","0.2","106","2","106","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H11 N5 O2 S -","- C12 H11 N5 O2 S -","- C24 H22 N10 O4 S2 -","2","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0193","0.0193","","","0.0516","0.0516","","","","","","1.052","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209168","12.38","0.003","16.488","0.003","21.246","0.004","90","","90","","90","","4336.8","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd4 N16 O12 -","- C32 H24 Cd4 N16 O12 -","- C128 H96 Cd16 N64 O48 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0849","0.0682","","","0.1939","0.2049","","","","","","1.077","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209169","10.984","0.01","17.667","0.016","26.08","0.02","90","","90","","90","","5061","8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cd N8 O2 -","- C28 H20 Cd N8 O2 -","- C224 H160 Cd8 N64 O16 -","8","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0466","0.0307","","","0.0655","0.0732","","","","","","1.031","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209170","25.919","0.004","9.9766","0.0016","17.701","0.003","90","","128.489","0.002","90","","3582.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cd N6 O2 -","- C20 H12 Cd N6 O2 -","- C160 H96 Cd8 N48 O16 -","8","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0402","0.0289","","","0.0635","0.0685","","","","","","1.067","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209171","13.6219","0.0013","16.5119","0.0016","13.4293","0.0013","90","","93.153","0.001","90","","3016","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cd3 N10 O9 -","- C28 H18 Cd3 N10 O9 -","- C112 H72 Cd12 N40 O36 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0303","0.0272","","","0.0602","0.0612","","","","","","1.194","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209172","18.22","0.003","13.269","0.002","6.8783","0.0011","90","","90","","90","","1662.9","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Cd N8 O4 -","- C16 H10 Cd N8 O4 -","- C64 H40 Cd4 N32 O16 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0347","0.0278","","","0.057","0.0603","","","","","","1.02","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209173","10.735","0.002","12.852","0.003","14.491","0.003","84.6","0.03","74.08","0.03","65.93","0.03","1755.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Mn3 N10 O24 -","- C72 H68 Mn3 N10 O24 -","- C72 H68 Mn3 N10 O24 -","1","0.5","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Chang, Ze; Bu, Xian-He","Mn(ii) metal‒organic frameworks based on Mn3 clusters: from 2D layer to 3D framework by the “pillaring” approach","CrystEngComm","2013","15","8","1613","","10.1039/c2ce26734a","","","0.71073","MoKα","","0.1321","0.0741","","","0.1354","0.1529","","","","","","1.041","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209174","12.271","0.003","13.775","0.003","14.061","0.003","89.21","0.02","65.01","0.03","71.28","0.03","2019.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H70 Mn3 N16 O20 -","- C90 H70 Mn3 N16 O20 -","- C90 H70 Mn3 N16 O20 -","1","0.5","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Chang, Ze; Bu, Xian-He","Mn(ii) metal‒organic frameworks based on Mn3 clusters: from 2D layer to 3D framework by the “pillaring” approach","CrystEngComm","2013","15","8","1613","","10.1039/c2ce26734a","","","0.71073","MoKα","","0.1581","0.0847","","","0.1569","0.1797","","","","","","1.041","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209175","8.3499","0.0002","12.4558","0.0003","13.7987","0.0004","90","","90","","90","","1435.13","0.06","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C15 H12 Co O6.5 -","- C15 H11 Co O6.5 -","- C60 H44 Co4 O26 -","4","0.5","","Sun, Hao-Ling; Jiang, Rui; Li, Zongsheng; Dong, Yong Qiang; Du, Miao","Novel (4,8)-connected scu coordination framework constructed by tetrakis(4-benzoic acid)ethylene","CrystEngComm","2013","15","9","1669","","10.1039/c2ce26761f","","","0.71073","MoKα","","0.0433","0.0364","","","0.1022","0.1061","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209176","35.272","0.01","35.272","0.01","5.282","0.001","90","","90","","120","","5691","3","290","2","290","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C45 H38 N6 O4 -","- C45 H37.98 N6 O4 -","- C270 H227.88 N36 O24 -","6","0.333333","","Prohens, Rafel; Font-Bardia, Mercè; Barbas, Rafael","Water wires in the nanoporous form II of carbamazepine: a single-crystal X-ray diffraction analysis","CrystEngComm","2013","15","5","845","","10.1039/c2ce26787j","","","0.71073","MoKα","","0.1145","0.0762","","","0.1766","0.1954","","","","","","1.21","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209177","9.8116","0.0009","9.9911","0.0009","15.5601","0.0014","81.117","0.001","84.035","0.001","70.191","0.001","1415.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H54 Cu2 F12 N12 O18 P2 -","- C42 H54 Cu2 F12 N12 O18 P2 -","- C42 H54 Cu2 F12 N12 O18 P2 -","1","0.5","","Mitra, Monojit; Manna, Prankrishna; Seth, Saikat Kumar; Das, Amrita; Meredith, Joanne; Helliwell, Madeleine; Bauzá, Antonio; Choudhury, Somnath Ray; Frontera, Antonio; Mukhopadhyay, Subrata","Salt-bridge‒π (sb‒π) interactions at work: associative interactions of sb‒π, π‒π and anion‒π in Cu(ii)-malonate‒2-aminopyridine‒hexafluoridophosphate ternary system","CrystEngComm","2013","15","4","686","","10.1039/c2ce26790j","","","0.71073","MoKα","","0.0428","0.0311","","","0.0858","0.0974","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209178","12.6675","0.0004","12.9716","0.0004","13.7656","0.0005","107.358","0.001","114.619","0.001","103.137","0.001","1794.36","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemiadipate n-butyl acetate solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - adipate - n-butyl acetate solvate (2:1:1)","","- C30 H36 Cl4 N10 O6 -","- C30 H36 Cl4 N10 O6 -","- C60 H72 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.1445","0.0821","","","0.2564","0.2942","","","","","","1.043","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209179","12.6839","0.0002","13.1519","0.0002","13.6466","0.0002","107.084","0.001","114.367","0.001","101.984","0.001","1835.4","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemiadipate tetrahydrofuran solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - adipate - tetrahydofuran solvate (2:1:2)","","- C32 H40 Cl4 N10 O6 -","- C32 H40 Cl4 N10 O6 -","- C64 H80 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.7107","MoKα","","0.0989","0.0719","","","0.1678","0.1805","","","","","","1.097","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209180","12.5864","0.0003","13.5421","0.0003","13.9251","0.0004","104.191","0.002","114.809","0.002","105.476","0.002","1895.43","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemipimelate n-butyl acetate solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - pimelate - n-butyl acetate solvate (2:1:1)","","- C31 H38 Cl4 N10 O6 -","- C31 H38 Cl4 N10 O6 -","- C62 H76 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.0817","0.069","","","0.1795","0.1901","","","","","","1.038","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209181","12.983","0.0003","13.6706","0.0003","13.8425","0.0004","102.681","0.001","115.756","0.001","106.841","0.002","1940.4","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemipimelate tetrahydrofuran solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - pimelate - tetrahydrofuran solvate (2:1:2)","","- C33 H42 Cl4 N10 O6 -","- C33 H42 Cl4 N10 O6 -","- C66 H84 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.0951","0.0778","","","0.2039","0.2172","","","","","","1.052","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209182","10.5156","0.0003","9.1793","0.0003","12.2202","0.0004","90","","98.381","0.001","90","","1166.97","0.06","89","2","89","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H5 F4 N3 -","- C14 H5 F4 N3 -","- C56 H20 F16 N12 -","4","1","","Lane, Joseph R.; Saunders, Graham C.; Webb, Samantha J.","Engineering of a polar crystal structure exclusively by π‒π stacking between aryl and polyfluoroaryl groups","CrystEngComm","2013","15","7","1293","","10.1039/c2ce26796a","","","0.71073","MoKα","","0.0251","0.025","","","0.0708","0.0709","","","","","","1.076","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209183","18.167","0.005","16.43","0.004","19.731","0.005","90","","93.477","0.003","90","","5879","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C-hexyltetracyanoresorcin(4)arene","","","- C59 H82 N4 O12 -","- C58.992 H82 N4 O12 -","- C235.968 H328 N16 O48 -","4","1","","Mossine, Andrew V.; Thavornyutikarn, Praput; Atwood, Jerry L.","Conservation of a unique noncovalent motif in a tetracyanoresorcin[4]arene silver complex","CrystEngComm","2013","15","9","1673","","10.1039/c2ce26802g","","","0.71073","MoKα","","0.0754","0.0572","","","0.1582","0.1734","","","","","","1.037","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209184","15.6936","0.0018","15.9984","0.0019","26.489","0.003","90","","90","","90","","6650.7","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C-hexyltetracyanoresorcin(4)arene silver complex","","","- C59.6 H83 Ag N4 O11.9 -","- C59.6 H68 Ag N4 O11.9 -","- C238.4 H272 Ag4 N16 O47.6 -","4","1","","Mossine, Andrew V.; Thavornyutikarn, Praput; Atwood, Jerry L.","Conservation of a unique noncovalent motif in a tetracyanoresorcin[4]arene silver complex","CrystEngComm","2013","15","9","1673","","10.1039/c2ce26802g","","x-ray","0.71073","MoKα","","0.1634","0.1058","","","0.2857","0.3363","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209185","13.1028","0.0011","13.5056","0.0011","23.797","0.002","92.405","0.002","91.395","0.001","105.902","0.001","4043.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu3 N32 O43 P S8 W12 -","- C26 H46 Cu3 N32 O43 P S8 W12 -","- C52 H92 Cu6 N64 O86 P2 S16 W24 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0305","0.0264","","","0.0662","0.0681","","","","","","1.045","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209186","13.095","0.003","13.375","0.003","23.823","0.005","92.183","0.004","90.456","0.003","105.986","0.003","4007.5","1.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu4 N32 O43 S8 Si W12 -","- C26 H42 Cu4 N32 O43 S8 Si W12 -","- C52 H84 Cu8 N64 O86 S16 Si2 W24 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0418","0.0314","","","0.0934","0.1001","","","","","","0.952","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209187","13.063","0.003","13.512","0.004","23.709","0.006","92.366","0.006","91.564","0.005","105.99","0.005","4016.2","1.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu3 Mo12 N32 O43 P S8 -","- C26 H46 Cu3 Mo12 N32 O43 P S8 -","- C52 H92 Cu6 Mo24 N64 O86 P2 S16 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0313","0.0239","","","0.0595","0.0634","","","","","","1.052","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209188","13.0057","0.0007","13.3497","0.0008","23.6446","0.0013","91.917","0.001","91.017","0.001","106.702","0.001","3928.2","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu4 Mo12 N32 O43 S8 Si -","- C26 H42 Cu4 Mo12 N32 O43 S8 Si -","- C52 H84 Cu8 Mo24 N64 O86 S16 Si2 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0599","0.0569","","","0.1252","0.1267","","","","","","1.06","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209189","8.5321","0.0004","20.7094","0.001","25.769","0.001","90","","90","","90","","4553.2","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Ag F6 N4 P -","- C8 H12 Ag F6 N4 P -","- C96 H144 Ag12 F72 N48 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.1507","0.0378","","","0.0565","0.0706","","","","","","0.762","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209190","24.244","0.001","8.5678","0.0005","20.654","0.001","90","","90","","90","","4290.2","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Ag Cl N4 O4 -","- C8 H12 Ag Cl N4 O4 -","- C96 H144 Ag12 Cl12 N48 O48 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.0432","0.0325","","","0.0656","0.0685","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209191","8.5713","0.0001","21.9018","0.0003","27.8052","0.0005","90","","90","","90","","5219.78","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cu F6 N5 P -","- C10 H15 Cu F6 N5 P -","- C120 H180 Cu12 F72 N60 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.053","0.0366","","","0.0771","0.0841","","","","","","1.027","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209192","41.11","0.005","41.11","0.005","31.944","0.008","90","","90","","120","","46754","14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C300 H327 Cu12 N9 O96 -","- C264 H216 Cu12 O84 -","- C792 H648 Cu36 O252 -","3","0.166667","","He, Yuan-Chun; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","An ideal metal‒organic rhombic dodecahedron for highly efficient adsorption of dyes in an aqueous solution","CrystEngComm","2013","15","5","848","","10.1039/c2ce26836a","","","0.71073","MoKα","","0.3052","0.0692","","","0.0882","0.0944","","","","","","1.023","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209193","13.596","0.002","14.05","0.002","19.495","0.003","90","","125.036","0.008","90","","3049.2","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C120 H88 N24 O40 Zn8 -","8","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.047","0.0372","","","0.09","0.0937","","","","","","1.075","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209194","18.365","0.003","10.5691","0.0018","17.065","0.003","90","","106.028","0.007","90","","3183.6","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N3 O6.5 Zn -","- C15 H13 N3 O6.5 Zn -","- C120 H104 N24 O52 Zn8 -","8","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0334","0.0283","","","0.08","0.0825","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209195","7.8778","0.0015","23.005","0.004","8.2756","0.0015","90","","107.346","0.002","90","","1431.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C60 H44 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0668","0.0443","","","0.0887","0.0954","","","","","","1.062","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209196","9.664","0.002","9.582","0.002","16.414","0.004","90","","104.43","0.003","90","","1472","0.6","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C15 H13 N3 O5 Zn -","- C15 H13 N3 O5 Zn -","- C60 H52 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.11","0.1057","","","0.2217","0.2234","","","","","","1.309","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209197","11.4026","0.0015","7.6683","0.001","17.686","0.002","90","","96.38","0.002","90","","1536.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn3(maleate)2(OH)2(4-pina)2","","- C30 H24 N6 O12 Zn3 -","- C30 H24 N6 O12 Zn3 -","- C60 H48 N12 O24 Zn6 -","2","0.5","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0292","0.0242","","","0.0606","0.0632","","","","","","1.063","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209198","7.3106","0.0007","18.8655","0.0017","10.8996","0.001","90","","106.099","0.001","90","","1444.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 O5 Zn -","- C15 H13 N3 O5 Zn -","- C60 H52 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0303","0.0244","","","0.0591","0.0621","","","","","","1.034","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209199","14.0557","0.0003","11.4779","0.0003","19.3737","0.0013","90","","98.905","0.007","90","","3087.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Adamantyl mesityl BODIPY","4,4-Difluoro-3,5-di-(adamantyl)-8-mesityl-4-bora-3a,4a-diaza-s-indacene","","- C38 H45 B F2 N2 -","- C38 H45 B F2 N2 -","- C152 H180 B4 F8 N8 -","4","1","","Liao, Yuanyuan; Génot, Valérie; Méallet-Renault, Rachel; Vu, Thanh T.; Audibert, Jean-Frédéric; Lemaistre, Jean-Pierre; Clavier, Gilles; Retailleau, Pascal; Pansu, Robert B.","Spectroscopy of BODIPY in solid phase: crystal and nanoparticles.","Physical chemistry chemical physics : PCCP","2013","15","9","3186","3195","10.1039/c2cp43289g","","","1.54187","CuKα","","0.0616","0.0491","","","0.1383","0.1488","","","","","","1.152","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209200","5.955","0.003","7.46","0.003","19.878","0.008","90","","90","","90","","883.1","0.7","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao","Cycloaddition of tertiary aziridines and carbon dioxide using a recyclable organocatalyst, 1,3-di-tert-butylimidazolium-2-carboxylate: straightforward access to 3-substituted 2-oxazolidones","Green Chemistry","2013","15","2","425","","10.1039/c2gc36414j","","","0.7107","MoKα","","","0.0299","","","","0.0924","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209201","14.385","0.004","11.708","0.004","10.799","0.003","90","","98.286","0.006","90","","1799.8","0.9","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-di-O-benzoyl-myo-inositol","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Sureshan, Kana M.; Gonnade, Rajesh G.","Weak becomes strong: remarkable strength of C‒H⋯π hydrogen bond in the presence of O‒H⋯O hydrogen bonds in the crystal stabilization","CrystEngComm","2013","15","9","1676","","10.1039/c3ce26894b","","","0.71073","MoKα","","0.056","0.0376","","","0.0883","0.0967","","","","","","1.031","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209202","4.918","0.0006","20.285","0.008","10.1651","0.0013","85.65","0.02","113.352","0.009","88.33","0.02","926.4","0.4","293","2","293","2","","","100000","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V.","Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures","CrystEngComm","2013","15","9","1693","","10.1039/c3ce27013k","","","0.71073","MoKα","","0.1904","0.1095","","","0.272","0.3429","","","","","","1.095","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209203","4.8468","0.0006","20.177","0.004","10.0209","0.0012","85.32","0.02","113.602","0.009","88.18","0.019","892.8","0.2","293","2","293","2","","","700000","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V.","Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures","CrystEngComm","2013","15","9","1693","","10.1039/c3ce27013k","","","0.71073","MoKα","","0.1676","0.1011","","","0.2755","0.3404","","","","","","1.091","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209204","19.704","0.0009","38.121","0.0018","23.7705","0.001","90","","110.449","0.002","90","","16729.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CB6formI","","","- C90 H92 Cl3 N60 O58 -","- C90 H92 Cl3 N60 O58 -","- C360 H368 Cl12 N240 O232 -","4","1","","Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.","Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture","CrystEngComm","2013","15","8","1528","","10.1039/c3ce27017c","","","0.71073","MoKα","","0.1192","0.104","","","0.2971","0.3076","","","","","","1.174","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209205","22.1502","0.0004","22.1502","0.0004","47.2588","0.0013","90","","90","","120","","20080.2","0.8","100","2","100","2","","","","","","","","5","P 32","P 32","145","CB6","","","- C180 H262 Cl3 N120 O101 -","- C180 H180 Cl3 N120 O101 -","- C540 H540 Cl9 N360 O303 -","3","1","","Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.","Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture","CrystEngComm","2013","15","8","1528","","10.1039/c3ce27017c","","","0.71073","MoKα","","0.1873","0.1681","","","0.4077","0.4182","","","","","","2.682","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209206","18.8281","0.000026","7.19429","0.000018","5.73035","0.000014","90","","95.9613","0.0001","90","","772.006","0.003","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","","- C14 H21 N O7 -","- C14 H21 N O7 -","- C28 H42 N2 O14 -","2","1","","Wu, Han; Habgood, Matthew; Parker, Julia E.; Reeves-McLaren, Nik; Cockcroft, Jeremy K.; Vickers, Martin; West, Anthony R.; Jones, Alan G.","Crystal structure determination by combined synchrotron powder X-ray diffraction and crystal structure prediction: 1 : 1 l-ephedrine d-tartrate","CrystEngComm","2013","15","10","1853","","10.1039/c2ce26097b","powder diffraction","","0.826146","synchrotron","","","","","","","","","","1.874","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209207","11.902","0.005","8.377","0.004","19.291","0.009","90","","98.545","0.009","90","","1902","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cu3 N12 O10 -","- C38 H34 Cu3 N12 O10 -","- C76 H68 Cu6 N24 O20 -","2","0.5","","Zhu, Qilong; Tian, Chongbin; Shen, Chaojun; Sheng, Tianlu; Hu, Shengmin; Wu, Xintao","A three-dimensional coordination polymer based on linear trinuclear copper(ii) clusters featuring a ferromagnetic exchange interaction","CrystEngComm","2013","15","11","2120","","10.1039/c2ce26461g","","","0.71073","MoKα","","0.0797","0.0596","","","0.1637","0.1812","","","","","","1.071","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209208","11.4037","0.0003","8.1964","0.0002","25.3329","0.0007","90","","92.066","0.002","90","","2366.31","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5- dinitrobenzoate","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5-dinitrobenzoate","","- C19 H27 K N2 O12 -","- C19 H27 K N2 O12 -","- C76 H108 K4 N8 O48 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0666","0.0391","","","0.0913","0.1052","","","","","","1.052","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209209","9.2865","0.0003","13.1382","0.0004","14.0544","0.0004","71.495","0.001","79.23","0.001","86.232","0.001","1597.41","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5- dinitrobenzoate 3,5-dinitrobenzoic acid","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","","- C26 H31 K N4 O18 -","- C26 H31 K N4 O18 -","- C52 H62 K2 N8 O36 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0425","0.0349","","","0.0975","0.1079","","","","","","0.829","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209210","19.7525","0.0003","10.7903","0.0002","8.2793","0.0001","90","","99.556","0.001","90","","1740.13","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoic acid","","- C16 H14 K N3 O8 -","- C16 H14 K N3 O8 -","- C64 H56 K4 N12 O32 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0625","0.04","","","0.1072","0.1195","","","","","","1.035","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209211","6.784","0.0007","7.6611","0.0008","18.6422","0.0018","81.212","0.005","87.658","0.004","86.753","0.005","955.47","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Sodium 3,5-dinitrobenzoate 4-(N, N'-dimethylamino)benzoic acid dihydrate","","- C16 H18 N3 Na O10 -","- C16 H18 N3 Na O10 -","- C32 H36 N6 Na2 O20 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0772","0.0638","","","0.1938","0.2005","","","","","","1.295","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209212","6.1722","0.0004","8.4443","0.0006","18.7848","0.0012","83.049","0.004","82.207","0.004","86.054","0.004","961.52","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Ammonium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoate","Ammonium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoate","","- C16 H21 N5 O8 -","- C16 H21 N5 O8 -","- C32 H42 N10 O16 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.1685","0.0599","","","0.1431","0.1721","","","","","","0.863","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209213","11.4622","0.0003","8.2534","0.0002","25.9532","0.0006","90","","90.485","0.002","90","","2455.14","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1,4,7,10,13,16-hexaoxacyclooctadecane)ammonium 3,5- dinitrobenzoate","(1,4,7,10,13,16-hexaoxacyclooctadecane)ammonium 3,5-dinitrobenzoate","","- C19 H31 N3 O12 -","- C19 H31 N3 O12 -","- C76 H124 N12 O48 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.1171","0.0524","","","0.1509","0.1799","","","","","","1.033","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209214","25.1719","0.0005","25.1719","0.0005","10.8188","0.0003","90","","90","","120","","5936.7","0.2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C24 H32 Cl2 Cu N4 O4 -","- C24 H32 Cl2 Cu N4 O4 -","- C216 H288 Cl18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0697","0.0406","","","0.0647","0.0686","","","","","","1.089","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209215","25.4049","0.0003","25.4049","0.0003","10.6802","0.0002","90","","90","","120","","5969.6","0.15","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C23 H30 Br2 Cu N4 O4 -","- C23 H30 Br2 Cu N4 O4 -","- C207 H270 Br18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0688","0.059","","","0.134","0.1371","","","","","","1.026","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209216","5.8194","0.0002","22.0856","0.0007","16.198","0.0006","90","","90.285","0.003","90","","2081.82","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzimidazole salt of pimelic acid","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria","Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids","CrystEngComm","2013","15","10","1950","","10.1039/c2ce26571k","","","0.71073","MoKα","","0.1065","0.047","","","0.078","0.085","","","","","","1.116","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209217","8.4176","0.0012","14.7394","0.0014","19.1141","0.0019","90","","100.12","0.012","90","","2334.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzimidazole salt of glutaric acid","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","2","","Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria","Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids","CrystEngComm","2013","15","10","1950","","10.1039/c2ce26571k","","","0.71073","MoKα","","0.1191","0.0625","","","0.0929","0.1041","","","","","","1.134","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209218","10.2636","0.0004","19.9663","0.0007","12.0807","0.0005","90","","99.979","0.003","90","","2438.2","0.16","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 B2 Cu F8 N7 O4 -","- C17 H19 B2 Cu F8 N7 O4 -","- C68 H76 B8 Cu4 F32 N28 O16 -","4","1","","Ramírez de Arellano, Carmen; Escrivà, Emilio; Gómez-García, Carlos J.; Mínguez Espallargas, Guillermo; Ballesteros, Rafael; Abarca, Belén","Hydrogen bonding versus π-stacking in ferromagnetic interactions. Studies on a copper triazolopyridine complex","CrystEngComm","2013","15","10","1836","","10.1039/c2ce26654g","","","0.71073","MoKα","","0.0493","0.0419","","","0.1121","0.1179","","","","","","1.048","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209219","11.4102","0.0009","7.9586","0.0006","14.2631","0.0011","90","","95.548","0.001","90","","1289.15","0.17","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H29 N6 Ni O13 P2 -","- C16 H15 N6 Ni O13 P2 -","- C32 H30 N12 Ni2 O26 P4 -","2","0.5","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0834","0.0792","","","0.2016","0.2042","","","","","","1.015","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209220","20.319","0.003","20.319","0.003","14.754","0.002","90","","90","","120","","5275.3","1.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 N18 Ni3 O33 P6 -","- C48 H66 N18 Ni3 O33 P6 -","- C144 H198 N54 Ni9 O99 P18 -","3","0.166667","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0556","0.0397","","","0.0968","0.1078","","","","","","1.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209221","7.5069","0.0005","12.8076","0.001","22.2479","0.0017","93.887","0.004","94.965","0.004","92.39","0.004","2123.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Cu2 N2 O24 P6 -","- C30 H48 Cu2 N2 O24 P6 -","- C60 H96 Cu4 N4 O48 P12 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.1371","0.0745","","","0.174","0.2146","","","","","","0.996","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209222","8.0321","0.0015","10.14","0.0019","12.985","0.002","67.54","0.002","85.067","0.002","74.216","0.002","940.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Ni1.5 O12 P3 -","- C12 H24 Ni1.5 O12 P3 -","- C24 H48 Ni3 O24 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0469","0.0377","","","0.0922","0.0977","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209223","9.981","0.004","10.454","0.004","13.701","0.006","86.396","0.004","71.039","0.004","82.803","0.004","1341","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 N2 Ni O11 P3 -","- C24 H31 N2 Ni O11 P3 -","- C48 H62 N4 Ni2 O22 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0387","0.0313","","","0.0759","0.0796","","","","","","1.03","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209224","9.9667","0.0006","10.4207","0.0006","13.3783","0.0008","94.054","0.001","106.84","0.001","93.649","0.001","1321.4","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 N2 Ni O11 P3 -","- C22 H31 N2 Ni O11 P3 -","- C44 H62 N4 Ni2 O22 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0545","0.0427","","","0.0955","0.1023","","","","","","1.05","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209225","9.7878","0.0016","10.201","0.0016","14.443","0.003","76.79","0.002","81.902","0.002","66.993","0.001","1290.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 Cu N2 O9 P3 -","- C22 H27 Cu N2 O9 P3 -","- C44 H54 Cu2 N4 O18 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0616","0.0429","","","0.1051","0.1143","","","","","","1.023","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209226","10.1684","0.0007","15.3969","0.0011","16.7062","0.0012","90","","92.608","0.001","90","","2612.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cu N2 O10 P3 -","- C24 H27 Cu N2 O10 P3 -","- C96 H108 Cu4 N8 O40 P12 -","4","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0368","0.0305","","","0.0789","0.083","","","","","","1.027","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209227","8.7633","0.0006","10.559","0.0007","14.8583","0.001","79.707","0.001","86.776","0.001","67.111","0.001","1246.09","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 Cu N2 O11 P3 -","- C22 H28 Cu N2 O10.134 P3 -","- C44 H56 Cu2 N4 O20.268 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0513","0.0411","","","0.1033","0.1092","","","","","","1.007","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209228","8.327","0.0004","9.9585","0.0005","13.2645","0.0007","68.034","0.001","82.339","0.001","72.169","0.001","970.88","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24.2 Mn1.5 O12.1 P3 -","- C12 H24.2 Mn1.5 O12.1 P3 -","- C24 H48.4 Mn3 O24.2 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0385","0.035","","","0.0892","0.0919","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209229","8.8798","0.0006","9.2592","0.0006","15.0913","0.001","104.757","0.001","99.526","0.001","90.516","0.001","1181.63","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N5 O7 Zn -","- C25 H19 N5 O7 Zn -","- C50 H38 N10 O14 Zn2 -","2","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0407","0.0333","","","0.0906","0.0937","","","","","","1.028","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209230","9.064","0.003","9.558","0.003","13.644","0.004","95.546","0.004","91.307","0.005","90.209","0.005","1176.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Cd N5 O7 -","- C25 H19 Cd N5 O7 -","- C50 H38 Cd2 N10 O14 -","2","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0312","0.0271","","","0.0659","0.0678","","","","","","1.002","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209231","11.9526","0.0009","12.6037","0.0009","16.381","0.0012","90","","102.082","0.001","90","","2413.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N5 O6 Zn -","- C25 H17 N5 O6 Zn -","- C100 H68 N20 O24 Zn4 -","4","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0741","0.0462","","","0.1256","0.1424","","","","","","1.005","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209232","11.1167","0.0006","14.3657","0.0007","15.1482","0.0008","90","","93.261","0.001","90","","2415.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cd N5 O6 -","- C25 H17 Cd N5 O6 -","- C100 H68 Cd4 N20 O24 -","4","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0339","0.026","","","0.065","0.0691","","","","","","1.002","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209233","10.4005","0.0002","10.6486","0.0002","13.6321","0.0003","105.307","0.0007","93.835","0.0008","108.935","0.0012","1358.02","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C7.5 H13.5 Er O12 -","- C7.5 H1.5 Er O12 -","- C30 H6 Er4 O48 -","4","2","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","","0.71069","MoKα","","0.0577","0.0454","","","0.1184","0.1278","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209234","11.2874","0.0004","17.5352","0.0003","11.8917","0.0004","90","","106.723","0.001","90","","2254.14","0.12","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H40 O41 Tm4 -","- C30 H5 O41 Tm4 -","- C60 H10 O82 Tm8 -","2","0.5","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71073","MoKα","","0.0438","0.0328","","","0.0847","0.0912","","","","","","1.081","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209235","10.285","0.0002","11.5717","0.0003","13.5114","0.0004","85.581","0.001","69.209","0.001","63.755","0.001","1342.23","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 O25 Tm2 -","- C15 H3 O25 Tm2 -","- C30 H6 O50 Tm4 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","","0.71073","MoKα","","0.0587","0.0465","","","0.1371","0.1447","","","","","","1.461","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209236","9.5338","0.0001","11.7159","0.0002","14.7503","0.0003","106.505","0.001","97.684","0.001","101.981","0.001","1512.3","0.05","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C20 H16.5 Gd2.5 O22 -","- C20 H4 Gd2.5 O22 -","- C40 H8 Gd5 O44 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71073","MoKα","","0.0522","0.0448","","","0.1347","0.1399","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209237","10.4135","0.0002","10.5541","0.0002","14.0372","0.0004","99.595","0.001","99.62","0.001","108.843","0.001","1398.72","0.06","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H26 Er2 O23.5 -","- C15 H3 Er2 O23.5 -","- C30 H6 Er4 O47 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0481","0.0373","","","0.0939","0.1002","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209238","10.2435","0.0001","11.4789","0.0001","14.015","0.0002","84.763","0.001","78.631","0.001","63.819","0.001","1449.83","0.03","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H31 Gd2 O26 -","- C15 H3 Gd2 O26 -","- C30 H6 Gd4 O52 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0487","0.0338","","","0.0791","0.0856","","","","","","1.024","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209239","9.537","0.005","14.761","0.005","23.057","0.005","107.218","0.005","96.735","0.005","97.691","0.005","3030","2","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C40 H56 Gd5 K O56 -","- C40 H8 Gd5 K O56 -","- C80 H16 Gd10 K2 O112 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0825","0.0567","","","0.1625","0.1792","","","","","","1.054","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209240","10.7033","0.0016","11.88","0.004","12.457","0.006","115.528","0.006","106.801","0.005","91.358","0.004","1348","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N18 O9 Zn2 -","- C52 H52 N18 O9 Zn2 -","- C52 H52 N18 O9 Zn2 -","1","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.1829","0.058","","","0.0921","0.1075","","","","","","0.826","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209241","20.494","0.0007","13.4394","0.0005","23.0775","0.0007","90","","93.709","0.003","90","","6342.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Cd2 N18 O14 -","- C52 H55 Cd2 N18 O14 -","- C208 H220 Cd8 N72 O56 -","4","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0878","0.0529","","","0.1675","0.1752","","","","","","1.005","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209242","18.577","0.007","11.671","0.003","18.655","0.005","90","","118.998","0.004","90","","3537.6","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N9 O9 Zn2 -","- C34 H31 N9 O9 Zn2 -","- C136 H124 N36 O36 Zn8 -","4","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","1.54184","CuKα","","0.1787","0.0689","","","0.1407","0.1873","","","","","","0.975","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209243","10.3392","0.0014","16.2364","0.0012","22.526","0.002","90","","102.756","0.004","90","","3688.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cd2 N9 O10 -","- C34 H30 Cd2 N9 O10 -","- C136 H120 Cd8 N36 O40 -","4","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0914","0.0345","","","0.0464","0.0497","","","","","","0.791","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209244","13.3713","0.0014","14.7967","0.0017","16.661","0.002","103.393","0.008","102.889","0.007","105.532","0.002","2943.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N18 O13 Zn3 -","- C60 H56 N18 O13 Zn3 -","- C120 H112 N36 O26 Zn6 -","2","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.1316","0.066","","","0.1516","0.1854","","","","","","1.003","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209245","9.6371","0.0011","11.5022","0.0014","13.0554","0.0018","72.255","0.012","84.177","0.01","67.195","0.011","1270.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N18 O9 Zn2 -","- C46 H46 N18 O9 Zn2 -","- C46 H46 N18 O9 Zn2 -","1","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","1.54184","CuKα","","0.0986","0.0676","","","0.177","0.2003","","","","","","1.011","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209246","11.896","0.002","11.896","0.003","34.2854","0.0017","90","","90","","90","","4851.9","1.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H46 Cd2 N18 O9 -","- C46 H44 Cd2 N18 O9 -","- C184 H176 Cd8 N72 O36 -","4","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0499","0.0331","","","0.0758","0.078","","","","","","0.952","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209247","6.741","0.001","6.743","0.001","8.58","0.002","90","","90","","90","","390","0.12","8","2","8","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylurea","N-methylurea","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.5166","synchrotron","","0.027","0.027","","","","0.058","0.051","","","","","1.485","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209248","4.634","0.001","5.292","0.001","13.943","0.003","90","","95.57","0.03","90","","340.31","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-phenylurea","N-phenylurea","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C14 H16 N4 O2 -","2","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.04","0.028","","","","","2.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209249","9.09","0.002","10.372","0.002","11.77","0.002","90","","90","","90","","1109.7","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","N,N'-diphenylurea","N,N'-diphenylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.044","0.054","","","","","2.348","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209250","20.8671","0.0008","10.4343","0.0004","18.53","0.0007","90","","101.947","0.002","90","","3947.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","XST-FG-3","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C200 H160 N16 O16 -","8","1","","Xu, Shengtao; Zhou, Yu; Xu, Jinyi; Jiang, Hualiang; Liu, Hong","Gold-catalyzed Michael addition/intramolecular annulation cascade: an effective pathway for the chemoselective- and regioselective synthesis of tetracyclic indole derivatives in water","Green Chemistry","2013","15","3","718","","10.1039/c2gc36301a","","","0.71073","MoKα","","0.0419","0.0383","","","0.102","0.1051","","","","","","1.043","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209251","17.5123","0.0017","13.6834","0.0015","15.2911","0.0014","90","","90","","90","","3664.2","0.6","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0963","0.0645","","","0.2052","0.2272","","","","","","1.13","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209252","17.1691","0.0004","13.5523","0.0004","15.4503","0.0005","90","","90","","90","","3594.99","0.18","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 N2 Ni O5 -","- C18 H12 N2 Ni O5 -","- C144 H96 N16 Ni8 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0729","0.0586","","","0.2131","0.2263","","","","","","1.157","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209253","13.6268","0.0005","16.8885","0.0006","15.9853","0.0005","90","","93.269","0.002","90","","3672.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co2 N4 O10 -","- C36 H26 Co2 N4 O10 -","- C144 H104 Co8 N16 O40 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0804","0.0539","","","0.1862","0.2073","","","","","","1.083","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209256","22.1775","0.0005","7.3566","0.0002","22.1781","0.0005","90","","94.089","0.001","90","","3609.17","0.15","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C48 H63 O64 Zn8 -","- C48 H16 O64 Zn8 -","- C96 H32 O128 Zn16 -","2","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0762","0.068","","","0.1953","0.2035","","","","","","1.04","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209257","24.429","0.004","33.425","0.005","20.004","0.003","90","","90","","90","","16334","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C96 H194 I6 K6 N60 O76 -","- C96 H103 I6 K6 N60 O34 -","- C384 H412 I24 K24 N240 O136 -","4","0.5","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1146","0.0672","","","0.1956","0.212","","","","","","1.088","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209258","25.899","0.002","19.5796","0.0017","34.39","0.003","90","","94.006","0.002","90","","17396","3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C118 H236 I6 K6 N60 O83 -","- C118 H132 K6 N60 O36 -","- C472 H528 K24 N240 O144 -","4","1","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1988","0.1228","","","0.2823","0.3189","","","","","","0.965","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209259","20.565","0.004","27.168","0.005","35.246","0.007","90","","90.155","0.003","90","","19692","7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H268 Cl6 K6 N60 O92 -","- C126 H143 K6 N60 O34 -","- C504 H572 K24 N240 O136 -","4","1","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1799","0.0965","","","0.2481","0.2695","","","","","","1.06","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209260","23.8792","0.0008","34.9081","0.0013","20.2709","0.0008","90","","93.448","0.002","90","","16866.8","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 I2 K2 N20 O21 -","- C42 H47.3333 I K2 N20 O13.6667 -","- C504 H568 I12 K24 N240 O164 -","12","3","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1388","0.0934","","","0.2628","0.2946","","","","","","1.003","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7209261","20.2298","0.0008","33.2253","0.0011","29.4252","0.001","90","","95.186","0.002","90","","19696.9","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H90 Cl2 K2 N20 O30 -","- C45 H49.3333 Cl2 K2 N20 O11.6667 -","- C540 H592 Cl24 K24 N240 O140 -","12","3","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1052","0.0651","","","0.1704","0.186","","","","","","0.995","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7209262","11.297","0.002","9.665","0.0019","10.413","0.002","90","","114.59","0.03","90","","1033.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 Ce O11 -","- C3 H10 Ce O11 -","- C12 H40 Ce4 O44 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0507","0.042","","","0.0774","0.0792","","","","","","1.051","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209263","9.6103","0.0019","11.531","0.002","12.2","0.002","90","","99.03","0.03","90","","1335.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Er O13 -","- C6 H15 Er O13 -","- C24 H60 Er4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0313","0.0264","","","0.0927","0.0985","","","","","","0.811","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209264","9.5915","0.0019","11.452","0.002","12.178","0.002","90","","98.96","0.03","90","","1321.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Yb -","- C6 H15 O13 Yb -","- C24 H60 O52 Yb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0481","0.0426","","","0.1334","0.1393","","","","","","1.109","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209265","20.423","0.003","20.423","0.003","16.226","0.003","90","","90","","90","","6767.8","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 N4 O13.25 Sm2 -","- C10 H12.5 N4 O13.25 Sm2 -","- C160 H200 N64 O212 Sm32 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0405","0.0299","","","0.0622","0.0652","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209266","20.3131","0.0014","20.3131","0.0014","16.19","0.002","90","","90","","90","","6680.4","1.1","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Eu2 N4 O13.25 -","- C10 H12.5 Eu2 N4 O13.25 -","- C160 H200 Eu32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0439","0.0312","","","0.0722","0.077","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209267","20.299","0.003","20.299","0.003","16.157","0.003","90","","90","","90","","6657.5","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Gd2 N4 O13.25 -","- C10 H12.5 Gd2 N4 O13.25 -","- C160 H200 Gd32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0361","0.0292","","","0.0841","0.0868","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209268","20.227","0.004","20.227","0.004","16.047","0.007","90","","90","","90","","6565","3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H11.5 N4 O12.75 Tb2 -","- C10 H11.5 N4 O12.75 Tb2 -","- C160 H184 N64 O204 Tb32 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.086","0.0462","","","0.0998","0.1171","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209269","20.213","0.0015","20.213","0.0015","16.001","0.002","90","","90","","90","","6537.5","1.1","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Dy2 N4 O13.25 -","- C10 H12.5 Dy2 N4 O13.25 -","- C160 H200 Dy32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0456","0.0304","","","0.0666","0.0723","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209270","11.241","0.002","9.6687","0.0019","10.338","0.002","90","","114.51","0.03","90","","1022.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 O12 Pr -","- C3 H12 O12 Pr -","- C12 H48 O48 Pr4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0281","0.0261","","","0.0671","0.0687","","","","","","1.032","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209271","9.7166","0.0019","11.926","0.002","12.38","0.003","90","","99.42","0.03","90","","1415.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Nd O13 -","- C6 H15 Nd O13 -","- C24 H60 Nd4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.038","0.0306","","","0.0706","0.0759","","","","","","1.133","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209272","9.6885","0.0019","11.817","0.002","12.326","0.003","90","","99.26","0.03","90","","1392.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Sm -","- C6 H15 O13 Sm -","- C24 H60 O52 Sm4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0266","0.0227","","","0.0565","0.0581","","","","","","1.079","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209273","9.6661","0.0019","11.737","0.002","12.315","0.003","90","","99.24","0.03","90","","1379","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Eu O13 -","- C6 H15 Eu O13 -","- C24 H60 Eu4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0289","0.0245","","","0.0773","0.0796","","","","","","0.993","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209274","9.659","0.0019","11.718","0.002","12.281","0.003","90","","99.2","0.03","90","","1372.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Gd O13 -","- C6 H15 Gd O13 -","- C24 H60 Gd4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0273","0.0236","","","0.0638","0.0656","","","","","","1.095","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209275","9.6515","0.0019","11.655","0.002","12.264","0.003","90","","99.14","0.03","90","","1362","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Tb -","- C6 H15 O13 Tb -","- C24 H60 O52 Tb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0409","0.0303","","","0.0663","0.0699","","","","","","1.031","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209276","9.6315","0.0019","11.613","0.002","12.217","0.002","90","","99.13","0.03","90","","1349.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Dy O13 -","- C6 H15 Dy O13 -","- C24 H60 Dy4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.026","0.0233","","","0.0594","0.0608","","","","","","1.02","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209277","9.6205","0.0019","11.564","0.002","12.229","0.002","90","","99.04","0.03","90","","1343.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Ho O13 -","- C6 H15 Ho O13 -","- C24 H60 Ho4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0356","0.0286","","","0.0669","0.0698","","","","","","1.044","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209278","14.726","0.003","5.9694","0.0013","18.782","0.004","90","","97.438","0.012","90","","1637.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F N3 O3 S2 -","- C16 H16 F N3 O3 S2 -","- C64 H64 F4 N12 O12 S8 -","4","1","","Hoser, Anna A.; Kamiński, Daniel M.; Matwijczuk, Arkadiusz; Niewiadomy, Andrzej; Gagoś, Mariusz; Woźniak, Krzysztof","On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates","CrystEngComm","2013","15","10","1978","","10.1039/c3ce26778d","","","0.71073","MoKα","","0.1257","0.0565","","","0.125","0.1562","","","","","","0.983","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209279","6.4038","0.0004","10.2494","0.0006","13.1644","0.0009","77.41","0.005","86.768","0.005","82.386","0.005","835.5","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 F N3 O3 S2 -","- C16 H16 F N3 O3 S2 -","- C32 H32 F2 N6 O6 S4 -","2","1","","Hoser, Anna A.; Kamiński, Daniel M.; Matwijczuk, Arkadiusz; Niewiadomy, Andrzej; Gagoś, Mariusz; Woźniak, Krzysztof","On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates","CrystEngComm","2013","15","10","1978","","10.1039/c3ce26778d","","","0.71073","MoKα","","0.0634","0.0366","","","0.0763","0.0813","","","","","","0.931","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209280","12.6672","0.0006","12.6672","0.0006","25.4399","0.0018","90","","90","","90","","4082","0.4","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 N4 O2 Zn -","- C6 H5 N4 O2 Zn -","- C96 H80 N64 O32 Zn16 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0501","0.0414","","","0.1153","0.1212","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209281","12.5845","0.0005","12.5845","0.0005","25.4464","0.0014","90","","90","","90","","4029.9","0.3","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 Co N4 O2 -","- C6 H5 Co N4 O2 -","- C96 H80 Co16 N64 O32 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0641","0.0579","","","0.1564","0.1602","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209282","12.668","0.0005","9.6186","0.0004","20.4254","0.0008","90","","95.966","0.004","90","","2475.32","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N9 O9 S Zn2 -","- C20 H18 N9 O9 S Zn2 -","- C80 H72 N36 O36 S4 Zn8 -","4","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71073","MoKα","","0.046","0.0366","","","0.0906","0.0983","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209283","8.91","0.0004","12.007","0.0005","12.526","0.0005","77.708","0.004","76.629","0.004","76.378","0.004","1249.15","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 N9 O11 S Zn1.5 -","- C14 H13 N9 O11 S Zn1.5 -","- C28 H26 N18 O22 S2 Zn3 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0605","0.0475","","","0.1382","0.1495","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209284","16.308","0.0009","10.517","0.0005","22.986","0.0014","90","","104.444","0.006","90","","3817.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N18 O16 S3 Zn3 -","- C24 H24 N18 O16 S3 Zn3 -","- C96 H96 N72 O64 S12 Zn12 -","4","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.1019","0.0631","","","0.1375","0.1597","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209285","10.107","0.0005","11.073","0.0007","12.529","0.0008","69.771","0.006","78.299","0.004","81.557","0.004","1283.85","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N9 O7.5 Zn -","- C20 H18 N9 O7.5 Zn -","- C40 H36 N18 O15 Zn2 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0847","0.0583","","","0.1345","0.152","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209286","10.298","0.0004","11.117","0.0006","12.268","0.0004","67.475","0.004","73.32","0.004","68.923","0.004","1192.25","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cd N9 O7.5 -","- C20 H23 Cd N9 O7.5 -","- C40 H46 Cd2 N18 O15 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0237","0.0221","","","0.0561","0.0568","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209287","10.144","0.0008","10.797","0.0008","12.16","0.0008","68.36","0.06","72.963","0.006","70.147","0.007","1142.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Co N9 O7 -","- C20 H18 Co N9 O7 -","- C40 H36 Co2 N18 O14 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0804","0.0555","","","0.1185","0.1339","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209288","11.471","0.0008","11.833","0.001","12.272","0.001","80.712","0.007","68.015","0.007","77.768","0.006","1503.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cu2 N9 O10.5 -","- C28 H20 Cu2 N9 O10.5 -","- C56 H40 Cu4 N18 O21 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0946","0.062","","","0.1303","0.1511","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209289","20.479","0.007","20.479","0.007","20.479","0.007","90","","90","","90","","8589","5","296","2","296","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- B6 Cl2 H10 Na13 O47 P11 -","- B6 Cl2 Na13 O47 P11 -","- B48 Cl16 Na104 O376 P88 -","8","0.166667","","Feng, Yuquan; Li, Min; Shi, Hengzhen; Huang, Qunzeng; Qiu, Dongfang","A novel chlorine-containing borophosphate based on (4,3)-connected 3-D borophosphate anion [B6P11O42(OH)2]13− with unique B : P ratio and 22-tetrahedral cages","CrystEngComm","2013","15","11","2048","","10.1039/c3ce26918c","","","0.71073","MoKα","","0.0541","0.0504","","","0.1171","0.1187","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209290","7.577","0.003","6.894","0.002","8.927","0.004","90","","102.174","0.005","90","","455.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Imidazolium L-Tartrate","","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C14 H20 N4 O12 -","2","1","","Ji, Chengmin; Chen, Tianliang; Sun, Zhihua; Ge, Yan; Lin, Wenxiong; Luo, Junhua; Shi, Qian; Hong, Maochun","Bulk crystal growth and characterization of imidazolium l-tartrate (IMLT): a novel organic nonlinear optical material with a high laser-induced damage threshold","CrystEngComm","2013","15","11","2157","","10.1039/c3ce26942f","","","0.71073","MoKα","","0.0257","0.0246","","","0.0635","0.0641","","","","","","1.041","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209291","23.8931","0.0002","23.8931","0.0002","15.9482","0.0003","90","","90","","90","","9104.5","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H12 Be4 O12 -","- C16 H12 Be4 O12 -","- C256 H192 Be64 O192 -","16","1","","Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie","Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra","CrystEngComm","2013","15","10","1845","","10.1039/c3ce26983c","","","0.71073","MoKα","","0.0699","0.0506","","","0.1374","0.1467","","","","","","1.047","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209292","10.3705","0.0004","11.2422","0.0006","18.403","0.0007","90","","90","","90","","2145.55","0.16","293","2","293","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C10 H6 Be4 O12 -","- C10 H6 Be4 O12 -","- C40 H24 Be16 O48 -","4","0.25","","Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie","Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra","CrystEngComm","2013","15","10","1845","","10.1039/c3ce26983c","","","0.71073","MoKα","","0.0708","0.0563","","","0.1554","0.1649","","","","","","1.124","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209293","16.9","0.02","27.54","0.03","8.179","0.01","90","","90","","90","","3807","8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C37 H56 Cu I N4 O2 -","- C37 H56 Cu I N4 O2 -","- C148 H224 Cu4 I4 N16 O8 -","4","0.5","","Wang, Wenlong; Zhang, Guodong; Lang, Rui; Xia, Chungu; Li, Fuwei","pH-Responsive N-heterocyclic carbene copper(i) complexes: syntheses and recoverable applications in the carboxylation of arylboronic esters and benzoxazole with carbon dioxide","Green Chemistry","2013","15","3","635","","10.1039/c3gc36830k","","","0.71073","MoKα","","0.182","0.1183","","","0.261","0.2871","","","","","","1.112","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209505","14.0437","0.0003","16.4599","0.0003","9.3843","0.0002","90","","99.7969","0.0008","90","","2137.62","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 I2 N2 -","- C17 H32 I2 N2 -","- C68 H128 I8 N8 -","4","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.046","0.0346","","0.0821","0.0694","0.0821","","","","","","1.0483","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209506","8.8992","0.0005","9.1246","0.0005","14.513","0.0008","108.091","0.005","93.709","0.004","106.155","0.004","1061.15","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H34 Cl I N2 O -","- C17 H34 Cl I N2 O -","- C34 H68 Cl2 I2 N4 O2 -","2","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","1.5418","CuKα","","0.0436","0.0422","","0.1087","0.1067","0.1087","","","","","","1.0779","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209507","8.7542","0.0002","9.3695","0.0002","13.6378","0.0004","71.4823","0.001","74.1255","0.0011","73.9467","0.0011","997.94","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H35 Br N2 O -","- C17 H35 Br N2 O -","- C34 H70 Br2 N4 O2 -","2","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.0727","0.0427","","0.1213","0.0933","0.1213","","","","","","0.92","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209508","18.4148","0.0002","8.7874","0.0001","27.3027","0.0004","90","","107.422","0.0005","90","","4215.4","0.09","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H34 Br2 N2 O -","- C17 H34 Br2 N2 O -","- C136 H272 Br16 N16 O8 -","8","2","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.0786","0.0507","","0.1048","0.0948","0.1048","","","","","","1.0066","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209509","18.5049","0.0001","23.8735","0.0002","9.3156","0.0001","90","","90","","90","","4115.42","0.06","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","diimidazolatozinc(ii)","diimidazolatozinc(II)","","- C17 H17 N9 Zn2 -","- C17 H17 N9 Zn2 -","- C136 H136 N72 Zn16 -","8","0.5","","Schröder, Christian A.; Baburin, Igor A.; van Wüllen, Leo; Wiebcke, Michael; Leoni, Stefano","Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory","CrystEngComm","2013","15","20","4036","","10.1039/c2ce26045j","","","1.54184","CuKα","","0.0284","0.0283","","","0.0731","0.0732","","","","","","1.031","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209510","11.814","0.003","18.304","0.005","7.957","0.002","90","","90","","90","","1720.6","0.8","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(E)-3-(4-(benzyloxy)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour","CrystEngComm","2013","15","13","2438","","10.1039/c2ce26185e","","","0.71073","MoKα","","0.0784","0.0515","","","0.1336","0.1591","","","","","","1.059","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209511","18.981","0.0006","7.5355","0.0003","24.6569","0.0007","90","","105.108","0.002","90","","3404.8","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-1-(4-(benzyloxy)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour","CrystEngComm","2013","15","13","2438","","10.1039/c2ce26185e","","","0.71073","MoKα","","0.0537","0.037","","","0.106","0.1209","","","","","","1.029","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209512","6.3071","0.001","8.0751","0.0014","8.5714","0.0011","104.521","0.013","94.539","0.01","102.964","0.011","407.57","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","trans-Bis(2,5-dibromopyridine)dibromocopper(ii)","trans-Bis(2,5-dibromopyridine)dibromocopper(II)","","- C10 H6 Br6 Cu N2 -","- C10 H6 Br6 Cu N2 -","- C10 H6 Br6 Cu N2 -","1","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.","Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)","CrystEngComm","2013","15","16","3111","","10.1039/c2ce26211h","","","0.71073","MoKα","","0.0511","0.0412","","","0.11","0.1172","","","","","","1.026","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209513","8.3173","0.0013","12.847","0.002","14.61","0.003","90","","90.868","0.008","90","","1560.9","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trans-Bis(2,5-dibromopyridine)dichlorocopper(ii)","trans-Bis(2,5-dibromopyridine)dichlorocopper(II)","","- C10 H6 Br4 Cl2 Cu N2 -","- C10 H6 Br4 Cl2 Cu N2 -","- C40 H24 Br16 Cl8 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.","Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)","CrystEngComm","2013","15","16","3111","","10.1039/c2ce26211h","","","0.71073","MoKα","","0.0672","0.0516","","","0.1313","0.1429","","","","","","1.02","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209514","10.457","0.0001","19.097","0.0002","17.707","0.0002","90","","91.212","0.001","90","","3535.25","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C28 H28 Co1.5 N12 O10 W -","- C28 H28 Co1.5 N12 O10 W -","- C112 H112 Co6 N48 O40 W4 -","4","1","","Chorazy, Szymon; Podgajny, Robert; Majcher, Anna M.; Nitek, Wojciech; Rams, Michał; Suturina, Elizaveta A.; Ungur, Liviu; Chibotaru, Liviu F.; Sieklucka, Barbara","Magnetic anisotropy of CoII‒WV ferromagnet: single crystal and ab initio study","CrystEngComm","2013","15","13","2378","","10.1039/c2ce26387d","","","0.71073","MoKα","","0.0376","0.028","","","0.0718","0.0751","","","","69.706","69.706","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209515","5.3318","0.0005","9.5162","0.0009","12.7812","0.0013","90","","96.49","0.01","90","","644.34","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 Li O5 -","- C4 H7 Li O5 -","- C16 H28 Li4 O20 -","4","1","","Bonnard, Gaëtan; Barrès, Anne-Lise; Mentré, Olivier; Allis, Damian G.; Gatti, Carlo; Poizot, Philippe; Frayret, Christine","The low/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study","CrystEngComm","2013","15","15","2809","","10.1039/c2ce26523k","","","0.71073","MoKα","","0.0422","0.0316","","","0.0266","0.0321","","","","1.07","1.07","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209516","10.561","0.0008","9.4941","0.0007","13.2344","0.0008","90","","107.394","0.003","90","","1266.3","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Li2 O10 -","- C8 H14 Li2 O10 -","- C32 H56 Li8 O40 -","4","1","","Bonnard, Gaëtan; Barrès, Anne-Lise; Mentré, Olivier; Allis, Damian G.; Gatti, Carlo; Poizot, Philippe; Frayret, Christine","The low/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study","CrystEngComm","2013","15","15","2809","","10.1039/c2ce26523k","","","0.71073","MoKα","","0.0501","0.0327","","","0.0488","0.0538","","","","1.25","1.25","1.15","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209517","8.7716","0.0003","16.9903","0.0006","20.5716","0.0007","104.794","0.002","102.209","0.002","92.243","0.002","2883.05","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu2 O14 S12 Se12 -","- C38 H24 Cu2 O15 S12 Se12 -","- C76 H48 Cu4 O30 S24 Se24 -","2","1","","Zhang, Bin; Zhang, Yan; Wang, Zheming; Gao, Song; Guo, Yanjun; Liu, Fen; Zhu, Daoben","BETS3[Cu2(C2O4)3](CH3OH)2: an organic‒inorganic hybrid antiferromagnetic metal (BETS = bisethylene(tetraselenfulvalene))","CrystEngComm","2013","15","18","3529","","10.1039/c2ce26552d","","","0.71073","MoKα","","0.1752","0.0604","","","0.1523","0.191","","","","","","0.898","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209518","6.819","0.005","10.781","0.005","14.252","0.005","72.89","0.005","80.394","0.005","74.456","0.005","960.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl5 N3 O5 U -","- C10 H10 Cl5 N3 O5 U -","- C20 H20 Cl10 N6 O10 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0631","0.0552","","","0.1567","0.1679","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209519","9.739","0.005","16.484","0.005","12.95","0.005","90","0.005","102.36","0.005","90","0.005","2030.8","1.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C10 H10 Br2 Cl3 N3 O5 U -","- C10 H10 Br2 Cl3 N3 O5 U -","- C40 H40 Br8 Cl12 N12 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0838","0.0463","","","0.1076","0.1396","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209520","7.9797","0.0005","25.0428","0.0017","14.7303","0.001","90","","103.019","0.002","90","","2868","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl3 I3 N5 O8 U -","- C15 H15 Cl3 I3 N5 O8 U -","- C60 H60 Cl12 I12 N20 O32 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0778","0.0543","","","0.1333","0.1476","","","","","","1.049","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7209521","15.893","0.002","26.122","0.004","25.301","0.003","90","","94.641","0.002","90","","10469","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C158 H65 Br3 N8 -","- C158 H65 Br3 N8 -","- C632 H260 Br12 N32 -","4","1","","Shimizu, Soji; Miura, Akito; Kobayashi, Nagao","Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes","CrystEngComm","2013","15","19","3759","","10.1039/c2ce26618k","","","0.71073","MoKα","","0.0621","0.0482","","","0.1159","0.1227","","","","","","1.033","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209522","15.5528","0.0007","26.013","0.0012","27.1199","0.0012","90","","93.28","0.002","90","","10954.1","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C172.5 H71.5 Br3.5 N8 O1.5 -","- C172.5 H71.5 Br3.5 N8 O1.5 -","- C690 H286 Br14 N32 O6 -","4","1","","Shimizu, Soji; Miura, Akito; Kobayashi, Nagao","Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes","CrystEngComm","2013","15","19","3759","","10.1039/c2ce26618k","","","1.54178","CuKα","","0.0549","0.0534","","","0.1294","0.1305","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209523","8.9378","0.0018","15.708","0.003","8.9066","0.0018","90","","100.67","0.03","90","","1228.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Dy O10 -","- C10 H9 Dy O10 -","- C40 H36 Dy4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.068","0.0441","","","0.0799","0.0858","","","","","","1.148","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209524","8.9007","0.0018","15.592","0.003","8.8728","0.0018","90","","100.63","0.03","90","","1210.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Er O10 -","- C10 H9 Er O10 -","- C40 H36 Er4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0783","0.0503","","","0.0819","0.0882","","","","","","1.191","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209525","8.96312","0.00018","15.7701","0.0003","8.95189","0.00018","90","","100.376","0.002","90","","1244.65","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Eu O10 -","- C10 H9 Eu O10 -","- C40 H36 Eu4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0271","0.021","","","0.0452","0.0467","","","","","","1.037","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209526","8.9811","0.0003","15.7995","0.0006","8.9343","0.0003","90","","100.505","0.003","90","","1246.5","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Gd O10 -","- C10 H9 Gd O10 -","- C40 H36 Gd4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0319","0.0243","","","0.0518","0.0569","","","","","","1.072","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209527","8.93845","0.00013","15.6658","0.0002","8.88816","0.00016","90","","100.648","0.0015","90","","1223.16","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Ho O10 -","- C10 H9 Ho O10 -","- C40 H36 Ho4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0235","0.0203","","","0.0445","0.0461","","","","","","1.11","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209528","8.9151","0.0018","15.521","0.003","8.8732","0.0018","90","","100.58","0.03","90","","1206.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Lu O10 -","- C10 H9 Lu O10 -","- C40 H36 Lu4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0629","0.0434","","","0.0671","0.071","","","","","","1.236","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209529","19.808","0.004","9.989","0.002","6.9059","0.0014","90","","106.03","0.03","90","","1313.3","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 Nd O10 -","- C10 H9 Nd O10 -","- C40 H36 Nd4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0215","0.0204","","","0.048","0.0484","","","","","","1.034","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209530","19.115","0.004","9.674","0.0019","6.6627","0.0013","90","","106.72","0.03","90","","1180","0.4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 O10 Pr -","- C10 H9 O10 Pr -","- C40 H36 O40 Pr4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0449","0.0447","","","0.1093","0.1097","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209531","8.92","0.0018","15.66","0.003","8.95","0.0018","90","","100.58","0.03","90","","1228.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O10 Tb -","- C10 H5 O10 Tb -","- C40 H20 O40 Tb4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0703","0.0495","","","0.077","0.0821","","","","","","1.235","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209532","8.8839","0.0005","15.4942","0.0011","8.8941","0.0006","90","","100.575","0.006","90","","1203.47","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O10 Yb -","- C10 H9 O10 Yb -","- C40 H36 O40 Yb4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0372","0.0266","","","0.0679","0.0702","","","","","","1.057","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209533","27.6","0.004","27.6","0.004","26.7","0.005","90","","90","","90","","20339","6","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C78 H76 Cl Cu5 N20 O38.5 V16 -","- C78 H66 Cl Cu5 N20 O38.5 V16 -","- C624 H528 Cl8 Cu40 N160 O308 V128 -","8","0.5","","Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun","Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands","CrystEngComm","2013","15","15","2783","","10.1039/c2ce26719e","","","0.71073","MoKα","","0.1116","0.0748","","","0.1861","0.2084","","","","","","1.041","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209534","27.672","0.004","27.672","0.004","26.693","0.005","90","","90","","90","","20440","6","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C78 H76 Cl Cu5 N20 O38.5 V16 -","- C78 H70 Cl Cu5 N20 O38.5 V16 -","- C624 H560 Cl8 Cu40 N160 O308 V128 -","8","0.5","","Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun","Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands","CrystEngComm","2013","15","15","2783","","10.1039/c2ce26719e","","","0.71073","MoKα","","0.1204","0.062","","","0.1471","0.1721","","","","","","0.926","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209535","20.059","0.0006","20.059","0.0006","7.1686","0.0004","90","","90","","120","","2497.95","0.17","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.62(EtOH)0.66","","","- C25.32 H9.96 F3.72 I6 N6 O0.66 P0.62 S12 -","- C24 H6 F3 I6 N6 O6 P0.5 S12 -","- C48 H12 F6 I12 N12 O12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.045","0.0424","","","0.1435","0.1458","","","","","","1.225","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209536","20.046","0.0008","20.046","0.0008","7.1715","0.0005","90","","90","","120","","2495.7","0.2","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.70(1-PrOH)0.65","","","- C25.95 H11.2 F4.2 I6 N6 O0.65 P0.7 S12 -","- C37 H6 F3 I6 N6 O2.04 P0.5 S12 -","- C74 H12 F6 I12 N12 O4.08 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0734","0.0729","","","0.1597","0.1599","","","","","","1.489","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209537","20.0545","0.0008","20.0545","0.0008","7.1733","0.0005","90","","90","","120","","2498.5","0.2","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.63(2-PrOH)0.92","","","- C26.76 H13.36 F3.78 I6 N6 O0.92 P0.63 S12 -","- C38.98 H6 F3 I6 N6 P0.5 S12 -","- C77.96 H12 F6 I12 N12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0495","0.0487","","","0.1103","0.1123","","","","","","1.287","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209538","20.0989","0.0009","20.0989","0.0009","7.2043","0.0006","90","","90","","120","","2520.4","0.3","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.51(Acetone)1.97","","","- C29.91 H17.82 F3.06 I6 N6 O1.97 P0.51 S12 -","- C30.02 H17.88 F3 I6 N6 O1.98 P0.5 S12 -","- C60.04 H35.76 F6 I12 N12 O3.96 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0582","0.0577","","","0.1198","0.1199","","","","","","1.539","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209539","20.0593","0.0013","20.0593","0.0013","7.1695","0.0009","90","","90","","120","","2498.3","0.4","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.62(AcOEt)0.49","","","- C25.96 H9.92 F3.72 I6 N6 O0.98 P0.62 S12 -","- C36.96 H6 F3 I6 N6 P0.5 S12 -","- C73.92 H12 F6 I12 N12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0526","0.0503","","","0.1187","0.1198","","","","","","1.469","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209540","4.902","0.0003","21.4561","0.0012","12.1298","0.0007","90","","100.151","0.002","90","","1255.82","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4- PhCOOH)2","3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhCOOH)2","","- C24 H10 F8 I2 N4 O4 -","- C24 H10 F8 I2 N4 O4 -","- C48 H20 F16 I4 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0239","0.0207","","","0.0492","0.0508","","","","","","1.068","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209541","4.8724","0.0003","22.0007","0.0013","11.6936","0.0007","90","","101.336","0.003","90","","1229.06","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 2-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4- PhCOOH)2","3,3'-AzoPy 2-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCOOH)2","","- C24 H10 Br2 F8 N4 O4 -","- C24 H10 Br2 F8 N4 O4 -","- C48 H20 Br4 F16 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0275","0.0261","","","0.0679","0.0688","","","","","","1.084","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209542","19.0228","0.0011","16.8636","0.001","7.2425","0.0004","90","","93.198","0.002","90","","2319.7","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3,3'-AzoPy-3HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhOH)2","3,3'-AzoPy-3HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhOH)2","","- C22 H10 F8 I2 N4 O2 -","- C22 H10 F8 I2 N4 O2 -","- C88 H40 F32 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0196","0.0176","","","0.045","0.0463","","","","","","1.021","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209543","18.2149","0.0008","16.4379","0.0007","7.4736","0.0004","90","","99.631","0.002","90","","2206.17","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 4-HBXB, (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4- PhOH)2","3,3'-AzoPy 4-HBXB, (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhOH)2","","- C22 H10 Br2 F8 N4 O2 -","- C22 H10 Br2 F8 N4 O2 -","- C88 H40 Br8 F32 N16 O8 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0375","0.0265","","","0.0656","0.0699","","","","","","0.998","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209544","5.6341","0.0004","10.4834","0.0007","11.5197","0.0008","75.365","0.002","77.562","0.002","80.975","0.002","639.09","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","3,3'-AzoPy 8-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4- PhCH=NOH)2","3,3'-AzoPy 8-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhCH=NOH)2","","- C24 H12 F8 I2 N6 O2 -","- C24 H12 F8 I2 N6 O2 -","- C24 H12 F8 I2 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0194","0.0186","","","0.0439","0.0444","","","","","","1.085","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209545","8.35","0.0008","8.3646","0.0008","9.8996","0.001","105.765","0.003","103.151","0.003","99.733","0.003","628","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","3,3'-AzoPy 5-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCHO oxime)2","3,3'-AzoPy 5-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCHO oxime)2","","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0597","0.048","","","0.1208","0.1288","","","","","","1.052","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209546","6.2112","0.0008","8.1879","0.0011","8.9824","0.0012","84.843","0.003","70.837","0.003","77.402","0.003","421.03","0.1","120","2","120","2","","","","","","","","6","P 1","P 1","1","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4- PhCOOH)","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4-PhCOOH)","","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","1","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0489","0.0433","","","0.1123","0.1149","","","","","","1.065","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209547","10.1601","0.0006","13.4584","0.0008","14.4512","0.001","112.181","0.004","90.56","0.004","111.547","0.004","1676.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9 Br F4 N4 O2 -","- C17 H9 Br F4 N4 O2 -","- C68 H36 Br4 F16 N16 O8 -","4","2","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.1012","0.0886","","","0.227","0.2362","","","","","","1.078","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209548","6.1515","0.0005","9.8197","0.0007","13.7443","0.001","81.558","0.003","85.932","0.003","78.342","0.003","803.57","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","4,4'-AzoPy 3-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhOH","4,4'-AzoPy 3-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhOH","","- C16 H9 F4 I N4 O -","- C16 H9 F4 I N4 O -","- C32 H18 F8 I2 N8 O2 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0293","0.0275","","","0.0746","0.0756","","","","","","1.082","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209549","6.3706","0.0003","9.567","0.0005","13.3289","0.0007","79.453","0.002","83.09","0.002","79.476","0.001","782.03","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","4,4'-AzoPy 4-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-Br-F4-PhOH","4,4'-AzoPy 4-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-Br-F4-PhOH","","- C16 H9 Br F4 N4 O -","- C16 H9 Br F4 N4 O -","- C32 H18 Br2 F8 N8 O2 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0311","0.0269","","","0.0699","0.072","","","","","","1.037","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209550","17.6282","0.0007","6.3167","0.0003","31.7318","0.0014","90","","96.518","0.002","90","","3510.6","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime","4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime","","- C17 H10 F4 I N5 O -","- C17 H10 F4 I N5 O -","- C136 H80 F32 I8 N40 O8 -","8","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0303","0.0239","","","0.0548","0.0575","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209551","10.2846","0.001","4.6215","0.0005","27.841","0.002","90","","98.246","0.006","90","","1309.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4,4'AzoPy 5-HBXB (4-pyridyl)-N=N-(4-pyridyl), (4-Br-F4-PhCHO oxime)2","4,4'AzoPy 5-HBXB (4-pyridyl)-N=N-(4-pyridyl), (4-Br-F4-PhCHO oxime)2","","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","- C48 H24 Br4 F16 N12 O4 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0763","0.0595","","","0.1457","0.1586","","","","","","1.099","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209552","11.826","0.0005","5.0779","0.0002","14.4717","0.0006","90","","113.431","0.002","90","","797.38","0.06","123","1","123","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 F8 I2 -","- C16 F8 I2 -","- C32 F16 I4 -","2","0.5","","Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.","Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)","CrystEngComm","2013","15","16","3097","","10.1039/c2ce26751a","","","0.71073","MoKα","","0.0233","0.0223","","","0.0545","0.055","","","","","","1.087","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209553","13.7911","0.0004","30.7832","0.001","8.3658","0.0001","90","","96.292","0.0019","90","","3530.17","0.16","150","1","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H36 F8 I3 N -","- C32 H36 F8 I3 N -","- C128 H144 F32 I12 N4 -","4","1","","Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.","Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)","CrystEngComm","2013","15","16","3097","","10.1039/c2ce26751a","","","0.71073","MoKα","","0.0553","0.0433","","","0.0965","0.106","","","","","","1.069","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209554","14.347","0.0007","6.471","0.0003","76.54","0.003","90","","92.998","0.004","90","","7096.2","0.6","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 I2 N Ni2 S20 -","- C18 H6 I2 N Ni2 S20 -","- C144 H48 I16 N8 Ni16 S160 -","8","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0635","","","","0.1857","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209555","7.632","0.005","11.716","0.007","20.19","0.01","98.87","0.01","93.4","0.008","101.19","0.01","1742.4","1.8","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 Br2 N Ni2 S20 -","- C18 H6 Br2 N Ni2 S20 -","- C36 H12 Br4 N2 Ni4 S40 -","2","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0533","","","","0.1805","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209556","35.368","0.007","11.088","0.002","13.129","0.003","90","","103.317","0.003","90","","5010.2","1.8","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 I2 N Ni3 S30 -","- C24 H6 I2 N Ni3 S30 -","- C96 H24 I8 N4 Ni12 S120 -","4","0.5","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0389","","","","0.1034","","","","","","0.976","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209557","14.218","0.004","6.436","0.001","76.15","0.02","90","","93.836","0.009","90","","6953","3","296.2","","296.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Br I N Ni2 S20 -","- C18 H6 Br I N Ni2 S20 -","- C144 H48 Br8 I8 N8 Ni16 S160 -","8","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0549","","","","0.1734","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209558","7.427","0.002","11.68","0.003","21.199","0.007","81.935","0.01","96.406","0.011","99.938","0.011","1786.2","0.9","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 I2 N Ni2 S20 -","- C18 H6 I2 N Ni2 S20 -","- C36 H12 I4 N2 Ni4 S40 -","2","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0559","","","","0.1679","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209559","11.4552","0.0013","10.586","0.002","18.08","0.003","90","","107.115","0.003","90","","2095.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N3 O4 Zn -","- C22 H16 N3 O4 Zn -","- C88 H64 N12 O16 Zn4 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0733","0.0393","","","0.0998","0.1066","","","","","","0.897","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209560","11.5009","0.0014","10.475","0.002","18.115","0.003","90","","103.417","0.004","90","","2122.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N4 O4 Zn -","- C22 H17 N4 O4 Zn -","- C88 H68 N16 O16 Zn4 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0738","0.0385","","","0.0801","0.0858","","","","","","0.824","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209561","15.1367","0.0016","9.579","0.002","18.531","0.003","90","","96.767","0.003","90","","2668.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 N6 O14 Zn3 -","- C52 H40 N6 O14 Zn3 -","- C104 H80 N12 O28 Zn6 -","2","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.1197","0.0508","","","0.1044","0.1173","","","","","","0.818","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209562","25.161","0.003","11.253","0.002","18.172","0.003","90","","90","0.004","90","","5145.2","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H34 N6 O14 Zn3 -","- C46 H34 N6 O14 Zn3 -","- C184 H136 N24 O56 Zn12 -","4","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.0951","0.045","","","0.1066","0.1151","","","","","","0.871","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209563","9.176","0.005","10.783","0.002","11.423","0.003","80.53","0.006","67.186","0.007","78.205","0.002","1015.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N3 O5 -","- C22 H18 Cd N3 O5 -","- C44 H36 Cd2 N6 O10 -","2","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.0824","0.0389","","","0.0518","0.055","","","","","","0.773","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209564","8.424","0.002","9.959","0.006","11.898","0.005","90.723","0.004","105.561","0.008","101.282","0.005","940.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd N3 O4 -","- C22 H16 Cd N3 O4 -","- C44 H32 Cd2 N6 O8 -","2","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0676","0.047","","","0.1172","0.1208","","","","","","1.088","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209565","8.38","0.0014","20.837","0.004","11.227","0.003","90","","101.346","0.005","90","","1922.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cd N3 O4 -","- C22 H16 Cd N3 O4 -","- C88 H64 Cd4 N12 O16 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0749","0.0357","","","0.0634","0.0687","","","","","","0.872","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209566","10.393","0.002","23.046","0.006","28.526","0.005","90","","95.381","0.004","90","","6802","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H30 Cd2 N6 O10 -","- C45 H28 Cd2 N6 O10 -","- C180 H112 Cd8 N24 O40 -","4","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.1699","0.0741","","","0.1722","0.1906","","","","","","1.013","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209567","24.935","0.003","14.5352","0.0015","17.7035","0.0019","90","","131.687","0.002","90","","4791.7","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H44 Cl4 Co2 N12 O2 -","- C53 H44 Cl4 Co2 N12 O2 -","- C212 H176 Cl16 Co8 N48 O8 -","4","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0709","0.0527","","","0.1319","0.1439","","","","","","1.027","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209568","12.4628","0.0018","10.8337","0.0015","20.597","0.003","90","","105.875","0.003","90","","2674.9","0.7","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H44 Cl6 Cu4 N12 O2 -","- C53 H44 Cl6 Cu4 N12 O2 -","- C106 H88 Cl12 Cu8 N24 O4 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.1474","0.1288","","","0.2922","0.3017","","","","","","1.129","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209569","10.271","0.004","17.067","0.006","12.28","0.005","90","","91.22","0.009","90","","2152.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cl2 Cu2 N12 -","- C50 H34 Cl2 Cu2 N12 -","- C100 H68 Cl4 Cu4 N24 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.1336","0.051","","","0.0973","0.1279","","","","","","0.941","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209570","7.8615","0.0006","10.7668","0.0008","14.0784","0.001","73.473","0.001","84.73","0.002","89.354","0.001","1137.44","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl2 N6 Zn -","- C25 H18 Cl2 N6 Zn -","- C50 H36 Cl4 N12 Zn2 -","2","1","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0385","0.0313","","","0.0895","0.1106","","","","","","1.105","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209571","12.8398","0.0018","5.1086","0.0007","15.192","0.002","90","","105.007","0.003","90","","962.5","0.2","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C25 H18 N6 -","- C25 H18 N6 -","- C50 H36 N12 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0555","0.0401","","","0.1053","0.1149","","","","","","1.08","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209572","16.896","0.001","16.503","0.001","27.4254","0.0016","90","","101.07","0.001","90","","7504.9","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H62 Cl6 Cu6 N18 O2 -","- C78 H62 Cl6 Cu6 N18 O2 -","- C312 H248 Cl24 Cu24 N72 O8 -","4","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.047","0.0344","","","0.0889","0.0967","","","","","","1.027","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209573","8.71","0.004","10.353","0.005","14.973","0.007","107.204","0.01","92.64","0.011","94.681","0.011","1282","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N10 O4 -","- C22 H16 N10 O4 -","- C44 H32 N20 O8 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0895","0.0642","","","0.1826","0.1953","","","","","","1.194","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209574","8.366","0.001","9.982","0.001","14.679","0.002","91.465","0.001","97.58","0.003","105.924","0.003","1166","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N10 O3 S -","- C20 H22 N10 O3 S -","- C40 H44 N20 O6 S2 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.1038","0.0862","","","0.2387","0.2577","","","","","","1.01","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209575","8.9692","0.0018","10.621","0.002","14.453","0.003","83.86","0.03","85.29","0.03","77.44","0.03","1333.7","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N10 O -","- C18 H16 N10 O -","- C36 H32 N20 O2 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0823","0.0716","","","0.1759","0.1805","","","","","","1.032","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209576","15.882","0.004","7.619","0.002","17.176","0.004","90","","115.635","0.005","90","","1873.8","0.8","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N10 O2 -","- C18 H18 N10 O2 -","- C72 H72 N40 O8 -","4","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0824","0.0489","","","0.0981","0.1084","","","","","","0.903","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209577","12.342","0.003","13.853","0.003","14.853","0.003","90","","101.91","0.03","90","","2484.8","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N10 O2 -","- C18 H18 N10 O2 -","- C72 H72 N40 O8 -","4","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.1017","0.0843","","","0.2246","0.2339","","","","","","1.061","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209578","15.3134","0.0003","14.0411","0.0002","16.3451","0.0003","90","","90.219","0.001","90","","3514.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Cd2 N4 O9 -","- C35 H30 Cd2 N4 O9 -","- C140 H120 Cd8 N16 O36 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0551","0.045","","","0.2223","0.2457","","","","","","1.081","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209579","20.3025","0.0012","14.0277","0.0003","19.7191","0.0007","90","","120.074","0.005","90","","4859.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Cd N4 O4 -","- C23 H21 Cd N4 O4 -","- C184 H168 Cd8 N32 O32 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0924","0.0823","","","0.2423","0.2654","","","","","","1.086","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209580","13.443","0.0004","13.801","0.0005","18.8121","0.0004","90.97","0.002","104.982","0.002","116.719","0.003","2975.43","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Cd2 N8 O12.5 -","- C58 H46 Cd2 N8 O12.5 -","- C116 H92 Cd4 N16 O25 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0635","0.0551","","","0.1726","0.1852","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209581","9.7163","0.0004","9.3623","0.0003","18.4041","0.0008","90","","105.392","0.004","90","","1614.12","0.11","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 Cd N9 O4 -","- C30 H36 Cd N9 O4 -","- C60 H72 Cd2 N18 O8 -","2","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0331","0.0287","","","0.0703","0.0738","","","","","","1.028","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209582","29.2901","0.0008","9.4068","0.0003","17.3833","0.0005","90","","124.817","0.003","90","","3932.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cd N9 O4 -","- C30 H34 Cd N9 O4 -","- C120 H136 Cd4 N36 O16 -","4","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0552","0.051","","","0.1458","0.1531","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209583","10.1726","0.0006","11.8494","0.0007","13.6326","0.0008","68.34","0.006","70.388","0.006","68.92","0.005","1385.48","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H20 Br3 Cd Co0 Ho0 N4 O6 -","- C23 H20 Br3 Cd N4 O6 -","- C46 H40 Br6 Cd2 N8 O12 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0541","0.0499","","","0.1362","0.1422","","","","","","1.016","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209584","19.639","0.003","13.6527","0.001","19.0257","0.0014","90","","119.568","0.007","90","","4436.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Br2 Co N4 O4.5 -","- C19 H19 Br2 Co N4 O4.5 -","- C152 H152 Br16 Co8 N32 O36 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.096","0.0646","","","0.1609","0.1786","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209585","9.639","0.004","10.219","0.005","21.866","0.01","90","","90","","90","","2153.8","1.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 N4 O2 Zn -","- C9 H8 N4 O2 Zn -","- C72 H64 N32 O16 Zn8 -","8","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.1061","0.0775","","","0.167","0.1818","","","","","","1.281","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209586","12.7","0.003","12.7","0.003","25.364","0.005","90","","90","","90","","4091","1.6","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C12 H10 N8 O5 Zn2 -","- C12 H10 N8 O5 Zn2 -","- C96 H80 N64 O40 Zn16 -","8","0.5","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0844","0.0585","","","0.1628","0.1833","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209587","10.203","0.006","10.005","0.006","18.287","0.01","90","","90.56","0.008","90","","1866.7","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N8 O4 Zn2 -","- C14 H14 N8 O4 Zn2 -","- C56 H56 N32 O16 Zn8 -","4","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0806","0.0655","","","0.1727","0.186","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209588","22.579","0.003","18.542","0.003","13.6018","0.0019","90","","92.614","0.002","90","","5688.6","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N8 O15 Zn4 -","- C22 H18 N8 O15 Zn4 -","- C176 H144 N64 O120 Zn32 -","8","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.066","0.0396","","","0.0885","0.1","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209589","7.977","0.0009","16.763","0.002","15.8519","0.0019","90","","100.788","0.002","90","","2082.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N8 O13 Zn3 -","- C14 H12 N8 O13 Zn3 -","- C56 H48 N32 O52 Zn12 -","4","0.5","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0866","0.0781","","","0.1936","0.2009","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209590","9.278","0.003","10.106","0.003","12.136","0.003","92.828","0.004","103.413","0.005","111.715","0.006","1016.8","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23.5 Mn N3 O9.75 -","- C16 H22 Mn N3 O9.75 -","- C32 H44 Mn2 N6 O19.5 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1365","0.0825","","","0.1414","0.1629","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209591","10.1259","0.0011","11.6606","0.0013","13.7407","0.0013","91.41","0.003","94.187","0.003","109.446","0.003","1523.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Mn N9 O4 -","- C32 H34 Mn N9 O4 -","- C64 H68 Mn2 N18 O8 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1147","0.0707","","","0.1514","0.1732","","","","","","1.052","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209592","5.059","0.002","9.54","0.004","11.701","0.005","90.952","0.012","91.597","0.011","100.868","0.014","554.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Mn N6 O4 -","- C24 H24 Mn N6 O4 -","- C24 H24 Mn N6 O4 -","1","0.5","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.7107","MoKα","","0.1064","0.0604","","","0.123","0.1451","","","","","","1.045","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209593","12.2271","0.0006","16.76","0.0007","14.4858","0.0006","90","","94.476","0.004","90","","2959.5","0.2","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Co N6 O5 -","- C30 H28 Co N6 O5 -","- C120 H112 Co4 N24 O20 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.0702","0.0519","","","0.1465","0.1567","","","","","","1.011","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209594","15.253","0.003","15.285","0.003","18.224","0.003","107.496","0.002","101.147","0.003","112.147","0.002","3519.8","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H73 Co4 N12 O28.5 -","- C66 H72 Co4 N12 O28.5 -","- C132 H144 Co8 N24 O57 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1311","0.0833","","","0.1663","0.1909","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209595","10.1205","0.0005","11.8855","0.0007","13.4846","0.0007","91.532","0.005","92.938","0.004","110.081","0.005","1519.72","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 N9 Ni O4.5 -","- C32 H34 N9 Ni O4.5 -","- C64 H68 N18 Ni2 O9 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.0787","0.0535","","","0.1047","0.116","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209596","10.0375","0.0014","15.2234","0.0018","18.925","0.002","90","","90","","90","","2891.8","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.0781","0.0578","","","0.1321","0.1462","","","","","","1.024","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209597","10.121","0.002","15.235","0.003","19.027","0.004","90","","90","","90","","2933.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.1451","0.0887","","","0.1835","0.2054","","","","","","1.089","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209598","10.51","0.004","8.418","0.003","14.039","0.005","90","","97.052","0.005","90","","1232.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Co N3 O6 -","- C11 H9 Co N3 O6 -","- C44 H36 Co4 N12 O24 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0656","0.0455","","","0.0983","0.1079","","","","","","1.043","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209599","10.4369","0.0003","8.4152","0.0002","13.908","0.0004","90","","96.836","0.003","90","","1212.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 Ni O6 -","- C11 H9 N3 Ni O6 -","- C44 H36 N12 Ni4 O24 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","1.54184","CuKα","","0.0382","0.0349","","","0.0961","0.0989","","","","","","1.078","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209600","11.4084","0.0016","11.115","0.0016","8.8184","0.0012","90","","92.036","0.002","90","","1117.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Mn N3 O5 -","- C11 H7 Mn N3 O5 -","- C44 H28 Mn4 N12 O20 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0569","0.049","","","0.1271","0.134","","","","","","1.056","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209601","17.422","0.002","9.824","0.0014","15.803","0.002","90","","105.435","0.002","90","","2607.2","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 O7 Zn -","- C11 H11 N3 O7 Zn -","- C88 H88 N24 O56 Zn8 -","8","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0253","0.0221","","","0.0607","0.0629","","","","","","1.011","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209602","20.3883","0.0013","20.3883","0.0013","20.3883","0.0013","54.956","0.004","54.956","0.004","54.956","0.004","5289.3","0.7","298","2","298","2","","","","","","","","5","R -3 m :R","-P 3* 2","166","","","","- C24 H12 Cu2 N2 O12 -","- C24 H12 Cu2 N2 O12 -","- C72 H36 Cu6 N6 O36 -","3","0.25","","Zheng, Baishu; Liu, Heting; Wang, Zhaoxu; Yu, Xianyong; Yi, Pinggui; Bai, Junfeng","Porous NbO-type metal‒organic framework with inserted acylamide groups exhibiting highly selective CO2 capture","CrystEngComm","2013","15","18","3517","","10.1039/c3ce26177h","","","0.71073","MoKα","","0.0578","0.0522","","","0.1537","0.1571","","","","","","1.054","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209603","19.056","0.005","24.415","0.006","15.698","0.004","90","","109.463","0.013","90","","6886","3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H70 O35 -","- C42 H70 O35 -","- C168 H280 O140 -","4","1","","Ramos, Ana I.; Braga, Teresa M.; Silva, Patrícia; Fernandes, José A.; Ribeiro-Claro, Paulo; Lopes, Maria de Fátima Silva; Paz, Filipe A. Almeida; Braga, Susana S.","Chloramphenicol·cyclodextrin inclusion compounds: co-dissolution and mechanochemical preparations and antibacterial action","CrystEngComm","2013","15","15","2822","","10.1039/c3ce26414a","","","0.71073","MoKα","","0.2548","0.1366","","","0.3486","0.3942","","","","","","0.918","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209604","8.057","0.003","15.966","0.006","3.447","0.0016","90","","100.06","0.03","90","","436.6","0.3","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd5 F O9 -","- B3 Cd5 F O9 -","- B6 Cd10 F2 O18 -","2","0.5","","Zou, Guohong; Zhang, Liyuan; Ye, Ning","Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F","CrystEngComm","2013","15","13","2422","","10.1039/c3ce26506d","","","0.71073","MoKα","","0.0359","0.0346","","","0.0736","0.0742","","","","","","1.172","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209605","6.9513","0.001","8.9349","0.0013","17.922","0.002","83.047","0.002","84.916","0.002","79.039","0.002","1082.3","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H30 Br4 F8 -","- C54 H30 Br4 F8 -","- C54 H30 Br4 F8 -","1","0.5","","Pang, Xue; Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","Co-crystallization turned on the phosphorescence of phenanthrene by C‒Br⋯π halogen bonding, π‒hole⋯π bonding and other assisting interactions","CrystEngComm","2013","15","14","2722","","10.1039/c3ce26661c","","","0.71073","MoKα","","0.0428","0.0307","","","0.0667","0.071","","","","","","1.028","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209606","10.6086","0.0007","21.0572","0.0007","11.4521","0.0007","90","","112.68","0.002","90","","2360.4","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","m-ClPhO-BsubPc","(3-Chlorophenolato)(subphthalocyaninato)boron","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C120 H64 B4 Cl4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1475","0.0609","","","0.1242","0.1591","","","","","","1.026","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209607","10.6874","0.0003","21.2084","0.0005","11.4373","0.0003","90","","113.079","0.0013","90","","2384.93","0.11","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","m-BrPhO-BsubPc","(3-Bromophenolato)(subphthalocyaninato)boron","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0983","0.0472","","","0.094","0.1113","","","","","","1.032","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209608","20.58","0.0004","17.0942","0.0004","16.7268","0.0004","90","","109.811","0.001","90","","5536.2","0.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(3-Iodophenolato)(subphthalocyaninato)boron","(3-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C240 H128 B8 I8 N48 O8 -","8","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0416","0.0292","","","0.0663","0.0694","","","","","","1.023","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209609","10.8999","0.0004","21.4167","0.0006","11.4529","0.0004","90","","114.267","0.0015","90","","2437.33","0.14","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(3-Iodophenolato)(subphthalocyaninato)boron","(3-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C120 H64 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1224","0.0572","","","0.1365","0.1769","","","","","","1.043","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209610","10.1276","0.0003","10.835","0.0003","11.8593","0.0004","86.4627","0.0015","77.0822","0.0013","64.904","0.0015","1147.87","0.06","150","1","150","1","","","","","","","","6","P -1","-P 1","2","o-FPhO-BsubPc","(2-Fluorophenolato)(subphthalocyaninato)boron","","- C30 H16 B F N6 O -","- C30 H16 B F N6 O -","- C60 H32 B2 F2 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0897","0.0557","","","0.1396","0.1637","","","","","","1.046","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209611","8.088","0.0002","42.9323","0.0014","13.7269","0.0004","90","","99.379","0.0015","90","","4702.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-ClPhO-BsubPc","(2-Chlorophenolato)(subphthalocyaninato)boron","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C240 H128 B8 Cl8 N48 O8 -","8","2","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.116","0.0609","","","0.1396","0.1708","","","","","","1.03","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209612","10.8223","0.0005","20.6856","0.0011","11.5946","0.0004","90","","112.325","0.003","90","","2401.1","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-BrPhO-BsubPc","(2-Bromophenolato)(subphthalocyaninato)boron","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1398","0.0865","","","0.2227","0.2668","","","","","","1.027","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209613","10.1641","0.0003","13.89","0.0004","19.3994","0.0006","90","","97.604","0.0016","90","","2714.71","0.14","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-Iodophenolato)(subphthalocyaninato)boron","(2-Iodophenolato)(subphthalocyaninato)boron","","- C33 H19 B I N6 O -","- C33 H19 B I N6 O -","- C132 H76 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.084","0.0479","","","0.1127","0.1317","","","","","","1.049","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209614","11.0324","0.0005","20.5587","0.0008","11.6778","0.0006","90","","112.71","0.002","90","","2443.3","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-Iodophenolato)(subphthalocyaninato)boron","(2-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C120 H64 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1609","0.0914","","","0.2426","0.3026","","","","","","1.021","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209615","8.5099","0.0003","12.5191","0.0004","13.8756","0.0006","107.637","0.002","100.015","0.002","99.28","0.003","1350.77","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","Cl5-BsubPc","(Pentachlorophenolato)(subphthalocyaninato)boron","","- C30 H12 B Cl5 N6 O -","- C30 H12 B Cl5 N6 O -","- C60 H24 B2 Cl10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1322","0.0624","","","0.1477","0.1882","","","","","","1.02","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209616","11.0395","0.0003","11.7114","0.0004","13.16","0.0004","115.177","0.0018","94.94","0.0019","93.673","0.0017","1524.47","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","(Pentabromophenolato)(subphthalocyaninato)boron","(Pentabromophenolato)(subphthalocyaninato)boron","","- C33 H15 B Br5 N6 O -","- C33 H15 B Br5 N6 O -","- C66 H30 B2 Br10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0632","0.0439","","","0.1036","0.1132","","","","","","1.009","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209617","8.4976","0.0003","12.9454","0.0004","13.965","0.0005","107.243","0.0018","97.553","0.002","101.703","0.002","1406.21","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","(Pentabromophenolato)(subphthalocyaninato)boron","(Pentabromophenolato)(subphthalocyaninato)boron","","- C30 H12 B Br5 N6 O -","- C30 H12 B Br5 N6 O -","- C60 H24 B2 Br10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0984","0.0656","","","0.1717","0.1901","","","","","","1.047","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209618","26.1217","0.001","20.3172","0.0006","21.5286","0.0005","90","","90.214","0.003","90","","11425.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H72 Ge5 N12 O30 V6 -","- C24 H48 Ge5 N12 O30 V6 -","- C192 H384 Ge40 N96 O240 V48 -","8","1","","You, Li-Sheng; Zhu, Qin-Yu; Zhang, Xiang; Pu, Ya-Yang; Bian, Guo-Qing; Dai, Jie","A new type of germanium‒vanadate cluster, [Ge5V6O21(heda)6] (Hheda = N-(2-hydroxyethyl)ethylenediamine)","CrystEngComm","2013","15","13","2411","","10.1039/c3ce26726a","","","0.71073","MoKα","","0.1205","0.0686","","","0.1644","0.1976","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209619","14.4599","0.0002","14.9417","0.0002","15.0638","0.0002","90","","117.683","0.001","90","","2882.07","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl F4 I2 P -","- C22 H36 Cl F4 I2 P -","- C88 H144 Cl4 F16 I8 P4 -","4","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.0269","0.0209","","","0.0492","0.0537","","","","","","1.027","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209620","48.3095","0.001","8.7022","0.0002","13.6477","0.0003","90","","90","","90","","5737.5","0.2","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H36 Br F4 I2 N -","- C22 H36 Br F4 I2 N -","- C176 H288 Br8 F32 I16 N8 -","8","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.074","0.0667","","","0.1845","0.1889","","","","","","1.123","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209621","49.7447","0.001","8.4785","0.0002","14.1541","0.0003","90","","104.119","0.001","90","","5789.3","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 Br2 F8 I4 P2 -","- C44 H72 Br2 F8 I4 P2 -","- C176 H288 Br8 F32 I16 P8 -","4","0.5","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.057","0.0429","","","0.1057","0.1136","","","","","","1.002","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209622","10.8351","0.0003","11.8074","0.0003","17.0179","0.0004","90","","92.343","0.001","90","","2175.35","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Br F2 I P -","- C23 H20 Br F2 I P -","- C92 H80 Br4 F8 I4 P4 -","4","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.019","0.0167","","","0.0452","0.0464","","","","","","1.045","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209623","8.687","0.0017","8.9","0.0018","13.039","0.003","104.06","0.03","97.67","0.03","105.15","0.03","922.8","0.4","293","2","293","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C19 H16 Cl N O6 -","- C19 H16 Cl N O6 -","- C38 H32 Cl2 N2 O12 -","2","1","","Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz","Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance","CrystEngComm","2013","15","15","2795","","10.1039/c3ce26752k","","","0.71073","MoKα","","0.1409","0.0957","","","0.1819","0.209","","","","","","1.12","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209624","3.88","0.003","10.058","0.006","12.438","0.009","76.64","0.03","88.3","0.04","82.26","0.04","468","0.6","293","2","293","2","","","","","","","Synthesis","4","P -1","-P 1","2","","","","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","1","0.5","","Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz","Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance","CrystEngComm","2013","15","15","2795","","10.1039/c3ce26752k","","","0.71073","MoKα","","0.0715","0.0499","","","0.1241","0.1397","","","","","","1.015","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209625","7.969","0.0001","10.1122","0.0001","17.9406","0.0003","92.936","0.001","94.163","0.001","106.062","0.001","1381.78","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethamine+carbamazepine+methanol","","- C29 H33 Cl N6 O3 -","- C29 H33 Cl N6 O3 -","- C58 H66 Cl2 N12 O6 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0856","0.0544","","","0.1253","0.1415","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209626","7.9789","0.0004","10.3092","0.0005","13.6586","0.0007","68.186","0.003","87.884","0.002","75.726","0.003","1008.98","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethamine+theophylline","","- C19 H21 Cl N8 O2 -","- C19 H21 Cl N8 O2 -","- C38 H42 Cl2 N16 O4 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0771","0.0543","","","0.1318","0.1472","","","","","","1.037","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209627","6.904","0.0001","7.5866","0.0001","21.2823","0.0003","85.364","0.001","81.052","0.001","79.007","0.001","1079.44","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Pyrimethaminium+saccharinate+methanol","","- C20 H22 Cl N5 O4 S -","- C20 H22 Cl N5 O4 S -","- C40 H44 Cl2 N10 O8 S2 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0506","0.0388","","","0.0936","0.1009","","","","","","1.031","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209628","7.8393","0.0002","11.0472","0.0003","12.106","0.0004","82.881","0.002","71.67","0.002","69.719","0.002","933.38","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+alpha-ketoglutarate","","- C17 H19 Cl N4 O5 -","- C17 H19 Cl N4 O5 -","- C34 H38 Cl2 N8 O10 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0585","0.0409","","","0.1008","0.111","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209629","10.0012","0.0003","11.5494","0.0004","11.7171","0.0004","107.432","0.002","106.355","0.002","99.557","0.002","1191.77","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+aspirinate+acetonitrile","","- C23 H24 Cl N5 O4 -","- C23 H24 Cl N5 O4 -","- C46 H48 Cl2 N10 O8 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0856","0.0471","","","0.124","0.1386","","","","","","1.014","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209630","7.6086","0.0001","9.945","0.0002","14.6138","0.0003","80.963","0.001","87.224","0.001","72.816","0.001","1043.31","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+p-coumarate+water","","- C21 H23 Cl N4 O4 -","- C21 H23 Cl N4 O4 -","- C42 H46 Cl2 N8 O8 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0551","0.0383","","","0.1106","0.1153","","","","","","1.038","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209631","10.194","0.0013","13.2638","0.0017","12.8106","0.0016","90","","106.048","0.002","90","","1664.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Gd N O9 -","- C12 H21 Gd N O9 -","- C48 H84 Gd4 N4 O36 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0634","0.0588","","","0.1146","0.1163","","","","","","1.256","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209632","10.287","0.0007","13.2402","0.0009","12.8956","0.0009","90","","106.596","0.001","90","","1683.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N O9 Tb -","- C12 H21 N O9 Tb -","- C48 H84 N4 O36 Tb4 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0457","0.0399","","","0.0765","0.0781","","","","","","1.216","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209633","10.2267","0.0008","13.2034","0.0011","12.8125","0.0011","90","","106.391","0.0016","90","","1659.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Dy N O9 -","- C12 H22 Dy N O9 -","- C48 H88 Dy4 N4 O36 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.056","0.0416","","","0.0862","0.0916","","","","","","1.088","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209634","10.2606","0.0005","13.2388","0.0007","12.8502","0.0007","90","","106.629","0.001","90","","1672.54","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Ho2 N2 O18 -","- C24 H42 Ho2 N2 O18 -","- C48 H84 Ho4 N4 O36 -","2","0.5","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0433","0.0347","","","0.0975","0.115","","","","","","1.288","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209635","10.2427","0.0004","13.2007","0.0004","12.8252","0.0005","90","","106.646","0.002","90","","1661.43","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Er2 N2 O18 -","- C24 H42 Er2 N2 O18 -","- C48 H84 Er4 N4 O36 -","2","0.5","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0412","0.0369","","","0.0765","0.0788","","","","","","0.884","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209636","8.2558","0.0017","10.82","0.002","14.719","0.003","90","","90","","90","","1314.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb -","- C11 H15 O6 Tb -","- C44 H60 O24 Tb4 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.027","0.0246","","","0.0597","0.061","","","","","","1.082","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209637","8.1149","0.0016","10.823","0.002","14.712","0.003","90","","90","","90","","1292.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.041","0.0377","","","0.0939","0.096","","","","","","1.049","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209638","8.1597","0.0016","10.818","0.002","14.716","0.003","90","","90","","90","","1299","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0337","0.0302","","","0.07","0.072","","","","","","1.069","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209639","8.1878","0.0008","10.8856","0.0011","14.7371","0.0015","90","","90","","90","","1313.5","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209640","10.7549","0.0019","12.012","0.002","7.6348","0.0014","90","","109.318","0.002","90","","930.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H2 Cd O5 -","- C9 H8 Cd O5 -","- C36 H32 Cd4 O20 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0168","0.0156","","","0.039","0.0399","","","","","","1.058","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209641","8.3518","0.0014","15.361","0.003","16.038","0.003","90","","100.053","0.002","90","","2026","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd N2 O4 -","- C22 H20 Cd N2 O4 -","- C88 H80 Cd4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0415","0.0276","","","0.0454","0.0481","","","","","","1.052","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209642","8.8542","0.0011","10.5788","0.0013","10.917","0.0013","108.08","0.001","92.099","0.001","92.315","0.001","970","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cd N2 O4 -","- C21 H16 Cd N2 O4 -","- C42 H32 Cd2 N4 O8 -","2","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0249","0.0234","","","0.0575","0.0588","","","","","","1.053","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209643","10.095","0.002","15.929","0.003","14.236","0.003","90","","106.156","0.002","90","","2198.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cd3 N4 O12 -","- C46 H42 Cd3 N4 O12 -","- C92 H84 Cd6 N8 O24 -","2","0.5","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0479","0.0345","","","0.0804","0.0884","","","","","","1.034","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209644","10.198","0.002","22.367","0.005","13.285","0.003","90","","97.775","0.003","90","","3002.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cd3 N9 O14 -","- C17 H31 Cd3 N9 O14 -","- C68 H124 Cd12 N36 O56 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0637","0.0542","","","0.1587","0.1672","","","","","","1.077","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209645","4.933","0.0003","8.4214","0.0005","12.3642","0.0008","100.542","0.005","82.986","0.005","97.144","0.005","498.45","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PIDA cocrystal with oxalamide host","","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","1","0.5","","Jin, Hongjian; Plonka, Anna M.; Parise, John B.; Goroff, Nancy S.","Pressure induced topochemical polymerization of diiodobutadiyne: a single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","16","3106","","10.1039/c3ce26851a","","","0.71073","MoKα","","0.1125","0.0673","","","0.1787","0.2064","","","","","","1.05","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209646","11.4581","0.0004","11.6819","0.0004","11.8696","0.0006","64.132","0.004","81.202","0.004","72.663","0.003","1364.15","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 N14 O18.5 Zn3 -","- C48 H32 N14 O18.5 Zn3 -","- C48 H32 N14 O18.5 Zn3 -","1","0.5","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.0695","0.0609","","","0.155","0.1622","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209647","39.4912","0.0015","23.7984","0.0012","8.9131","0.0003","90","","90","","90","","8376.8","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 N16 O13 Zn3 -","- C33 H22 N16 O13 Zn3 -","- C264 H176 N128 O104 Zn24 -","8","1","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.1318","0.0749","","","0.1412","0.167","","","","","","1.043","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209648","7.9992","0.0004","7.6259","0.0003","20.6651","0.001","90","","97.391","0.004","90","","1250.12","0.1","121.2","","121.2","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C12 H8 Cd2 K3 N9 O16 -","- C12 H8 Cd2 K3 N9 O16 -","- C24 H16 Cd4 K6 N18 O32 -","2","0.5","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.0422","0.0404","","","0.1162","0.1183","","","","","","1.045","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209649","5.2649","0.0011","8.6837","0.0017","10.192","0.002","105.83","0.03","96.18","0.03","101.4","0.03","432.95","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F4 N2 O6 -","- C18 H12 F4 N2 O6 -","- C18 H12 F4 N2 O6 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.1018","0.0597","","","0.1803","0.242","","","","","","1.088","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209650","8.781","0.005","10.066","0.007","10.289","0.006","99.273","0.01","107.452","0.009","110.288","0.009","777.2","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F8 N4 O8 -","- C30 H24 F8 N4 O8 -","- C30 H24 F8 N4 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0968","0.0467","","","0.111","0.1581","","","","","","1.048","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209651","7.0147","0.0014","7.5439","0.0015","12.6","0.003","76.07","0.03","81.7","0.03","88.92","0.03","640.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 N6 O8 -","- C24 H14 F8 N6 O8 -","- C24 H14 F8 N6 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0687","0.0608","","","0.18","0.1904","","","","","","1.069","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209652","8.319","0.003","10.152","0.004","10.642","0.003","87.5","0.006","73.992","0.004","69.092","0.006","805.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 F4 N2 O4 -","- C18 H10 F4 N2 O4 -","- C36 H20 F8 N4 O8 -","2","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0699","0.0473","","","0.1238","0.1436","","","","","","1.061","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209653","10.041","0.002","6.8049","0.0014","13.405","0.003","90","","100.97","0.03","90","","899.2","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H10 F4 N4 O5 -","- C20 H10 F4 N4 O5 -","- C40 H20 F8 N8 O10 -","2","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0382","0.0356","","","0.0997","0.1011","","","","","","1.087","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209654","7.9033","0.0016","7.9444","0.0016","13.749","0.003","99.65","0.03","96.63","0.03","91.26","0.03","844.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 F8 N4 O8 -","- C40 H20 F8 N4 O8 -","- C40 H20 F8 N4 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0702","0.0604","","","0.2249","0.2335","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209655","7.8627","0.0016","9.6759","0.0019","13.503","0.003","79.34","0.03","81.08","0.03","66.64","0.03","923","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 F4 N2 O5 -","- C20 H12 F4 N2 O5 -","- C40 H24 F8 N4 O10 -","2","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0699","0.0475","","","0.1461","0.1883","","","","","","1.064","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209656","9.7141","0.0019","7.23","0.0014","17.407","0.004","90","","90","","90","","1222.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0354","0.0345","","","0.0871","0.0882","","","","","","1.066","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209657","5.0356","0.0003","9.3352","0.0006","31.222","0.002","90","","93.442","0.003","90","","1465.05","0.16","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine hemikis(fumaric acid)","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Rahim, Syarifah Abd; Hammond, Robert B.; Sheikh, Ahmad Y.; Roberts, Kevin J.","A comparative assessment of the influence of different crystallization screening methodologies on the solid forms of carbamazepine co-crystals","CrystEngComm","2013","15","19","3862","","10.1039/c3ce26878k","","","0.71073","MoKα","","0.0501","0.0361","","","0.084","0.0944","","","","","","1.068","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209658","22.6172","0.0006","10.9922","0.0003","17.0958","0.0005","90","","118.375","0.001","90","","3739.59","0.18","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cu I2 N O5 -","- C17 H14 Cu I2 N O5 -","- C136 H112 Cu8 I16 N8 O40 -","8","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0853","0.0561","","","0.1427","0.1554","","","","","","1.076","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209659","10.445","0.0011","10.5713","0.0011","12.0695","0.0012","64.728","0.006","82.156","0.007","67.008","0.006","1108.7","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cu2 I4 N4 O8 -","- C40 H32 Cu2 I4 N4 O8 -","- C40 H32 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0457","0.0341","","","0.1038","0.1125","","","","","","0.82","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209660","11.2066","0.0003","17.1224","0.0004","12.7046","0.0003","90","","96.758","0.002","90","","2420.87","0.1","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cl4 Cu2 I4 N4 O8 -","- C42 H28 Cl4 Cu2 I4 N4 O8 -","- C84 H56 Cl8 Cu4 I8 N8 O16 -","2","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0328","0.0268","","","0.061","0.0631","","","","","","1.055","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209661","9.765","0.0009","9.9384","0.0008","11.6831","0.001","73.381","0.005","80.448","0.005","84.369","0.005","1069.86","0.16","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Cu2 I4 N4 O8 -","- C40 H24 Cu2 I4 N4 O8 -","- C40 H24 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0509","0.0394","","","0.0995","0.1047","","","","","","1.026","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209662","41.924","0.007","8.2952","0.0014","22.541","0.004","90","","90.592","0.003","90","","7839","2","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cu2 I4 O12 -","- C32 H32 Cu2 I4 O12 -","- C256 H256 Cu16 I32 O96 -","8","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0865","0.0448","","","0.0864","0.0991","","","","","","0.999","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209663","19.847","0.0009","14.0302","0.0006","12.2535","0.0005","90","","116.97","0.002","90","","3041","0.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl2 Cu I2 N4 O6 -","- C27 H22 Cl2 Cu I2 N4 O6 -","- C108 H88 Cl8 Cu4 I8 N16 O24 -","4","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0381","0.0341","","","0.0909","0.0932","","","","","","1.089","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209664","14.5424","0.0003","16.5333","0.0004","18.3008","0.0003","90","","98.676","0.001","90","","4349.78","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Cu2 I4 N4 O10 -","- C40 H28 Cu2 I4 N4 O10 -","- C160 H112 Cu8 I16 N16 O40 -","4","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0465","0.0367","","","0.0853","0.0903","","","","","","1.053","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209665","11.175","0.002","11.499","0.002","22.243","0.004","83.95","0.03","83.06","0.03","76.05","0.03","2745","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cd3 N10 O18 -","- C48 H38 Cd3 N10 O18 -","- C96 H76 Cd6 N20 O36 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1225","0.1036","","","0.2605","0.2745","","","","","","1.002","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209666","9.985","0.002","10.44","0.002","11.511","0.002","93.48","0.03","97.29","0.03","100.15","0.03","1167.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cd N5 O6 -","- C24 H15 Cd N5 O6 -","- C48 H30 Cd2 N10 O12 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0358","0.0318","","","0.0904","0.0923","","","","","","1.076","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209667","14.495","0.003","16.313","0.003","19.838","0.004","90","","107.07","0.03","90","","4484.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H70 Cd4 N20 O25 -","- C80 H70 Cd4 N20 O25 -","- C160 H140 Cd8 N40 O50 -","2","0.5","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0899","0.0671","","","0.1539","0.1631","","","","","","1.181","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209668","9.5869","0.0005","9.7706","0.0006","13.3468","0.0006","75.481","0.004","81.145","0.004","63.89","0.005","1085.39","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cd N5 O7 -","- C20 H19 Cd N5 O7 -","- C40 H38 Cd2 N10 O14 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0372","0.0313","","","0.0763","0.0807","","","","","","1.037","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209669","16.931","0.003","9.908","0.002","21.471","0.004","90","","108.61","0.03","90","","3413.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cd N10 O9 -","- C32 H32 Cd N10 O9 -","- C128 H128 Cd4 N40 O36 -","4","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1039","0.0685","","","0.1417","0.1594","","","","","","0.984","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209670","7.041","0.0014","23.337","0.005","13.814","0.004","90","","116.54","0.02","90","","2030.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cd N5 O6 -","- C20 H16 Cd N5 O6 -","- C80 H64 Cd4 N20 O24 -","4","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1529","0.126","","","0.2899","0.3007","","","","","","1.282","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209671","13.627","0.004","13.627","0.004","36.416","0.012","90","","90","","90","","6762","4","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C60 H56 N10 O17 -","- C60 H56 N10 O17 -","- C240 H224 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.1765","0.0917","","","0.2331","0.2713","","","","","","0.931","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209672","13.5368","0.0006","13.5368","0.0006","36.4665","0.0015","90","","90","","90","","6682.3","0.5","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C62 H58 N10 O17 -","- C62 H58 N10 O17 -","- C248 H232 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.0891","0.0717","","","0.2208","0.2361","","","","","","1.104","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209673","6.6678","0.0005","11.953","0.0009","12.7015","0.001","93.451","0.004","103.761","0.004","102.981","0.004","951.2","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 I4 O10 -","- C34 H28 Cu2 I4 O10 -","- C34 H28 Cu2 I4 O10 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0431","0.0302","","","0.0621","0.0661","","","","","","1.027","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209674","6.5847","0.0005","15.8533","0.0013","18.2578","0.0015","92.436","0.006","90.283","0.006","93.469","0.006","1900.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 S2 -","- C32 H28 Cu2 I4 O10 S2 -","- C64 H56 Cu4 I8 O20 S4 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0853","0.0512","","","0.119","0.13","","","","","","1.06","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209675","12.196","0.002","13.011","0.002","13.015","0.002","74.517","0.007","68.073","0.007","87.38","0.008","1843","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0688","0.0411","","","0.0976","0.1093","","","","","","1.058","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209676","12.997","0.003","12.621","0.003","16.88","0.003","90","","96.15","0.03","90","","2753","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 Cu2 I4 N6 O14 -","- C46 H58 Cu2 I4 N6 O14 -","- C92 H116 Cu4 I8 N12 O28 -","2","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0526","0.0429","","","0.1107","0.1149","","","","","","1.031","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209677","13.4825","0.0004","13.4825","0.0004","9.8363","0.0003","90","","90","","90","","1788.02","0.09","100","","100","","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H32 Cu2 I4 N2 O8 -","- C36 H32 Cu2 I4 N2 O8 -","- C72 H64 Cu4 I8 N4 O16 -","2","0.125","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.12","0.0858","","","0.2484","0.2747","","","","","","1.052","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209678","15.23","0.003","22.664","0.005","27.692","0.005","90","","102.821","0.01","90","","9320","3","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Cu2 I4 N2 O8 -","- C38 H24 Cu2 I4 N2 O8 -","- C304 H192 Cu16 I32 N16 O64 -","8","2","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.31","0.1425","","","0.3537","0.4112","","","","","","0.906","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209679","8.2079","0.0019","16.029","0.004","24.699","0.006","102.764","0.017","98.004","0.016","101.353","0.014","3049.9","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Cu2 I4 N4 O10 -","- C66 H56 Cu2 I4 N4 O10 -","- C132 H112 Cu4 I8 N8 O20 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.231","0.108","","","0.2654","0.3417","","","","","","1.03","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209680","8.4221","0.0012","9.3371","0.0014","14.325","0.002","84.824","0.004","76.353","0.004","84.257","0.005","1086.6","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N4 O7 Zn -","- C21 H22 N4 O7 Zn -","- C42 H44 N8 O14 Zn2 -","2","1","","Meng, Qing-hong; Zhou, Pei; Song, Fang; Wang, Yue-bing; Liu, Gui-lei; Li, Hui","Controlled fluorescent properties of Zn(ii) salen-type complex based on ligand design","CrystEngComm","2013","15","15","2786","","10.1039/c3ce26935c","","","0.71073","MoKα","","0.0436","0.0375","","","0.08","0.0833","","","","","","1.049","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209681","11.95","0.002","7.6626","0.0015","17.867","0.004","90","","105.24","0.03","90","","1578.5","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N4 O5 Zn -","- C18 H12 N4 O5 Zn -","- C72 H48 N16 O20 Zn4 -","4","1","","Meng, Qing-hong; Zhou, Pei; Song, Fang; Wang, Yue-bing; Liu, Gui-lei; Li, Hui","Controlled fluorescent properties of Zn(ii) salen-type complex based on ligand design","CrystEngComm","2013","15","15","2786","","10.1039/c3ce26935c","","","0.71073","MoKα","","0.0597","0.0401","","","0.0896","0.1068","","","","","","1.088","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209682","9.4123","0.0016","9.4994","0.0007","13.1602","0.0018","74.96","0.02","83.55","0.03","82.9","0.03","1123.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N4 O7 Zn -","- C18 H24 N4 O7 Zn -","- C36 H48 N8 O14 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0631","0.0526","","","0.148","0.1613","","","","","","1.079","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209683","9.413","0.005","18.542","0.009","15.016","0.008","90","","100.205","0.008","90","","2579","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl2 N4 O14 Zn -","- C14 H18 Cl2.003 N4 O14 Zn -","- C56 H72 Cl8.012 N16 O56 Zn4 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0894","0.0778","","","0.2472","0.2639","","","","","","1.074","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209684","17.083","0.012","22.908","0.016","23.481","0.015","90","","90","","90","","9189","11","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H22 N6 O2 S2 Zn -","- C16 H18 N6 O2 S2 Zn -","- C256 H288 N96 O32 S32 Zn16 -","16","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0938","0.0747","","","0.2358","0.2599","","","","","","1.085","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209685","14.429","0.004","19.03","0.005","24.58","0.007","90","","90","","90","","6749","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H21 Cl2 N4 O1.5 Zn -","- C14 H18 Cl2 N4 O1.5 Zn -","- C224 H288 Cl32 N64 O24 Zn16 -","16","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0357","0.0326","","","0.0751","0.0766","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209686","9.654","0.003","12.336","0.003","13.268","0.004","62.445","0.013","77.26","0.017","68.993","0.016","1304.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Br8 N8 O2 Zn4 -","- C28 H36 Br8 N8 O2 Zn4 -","- C28 H36 Br8 N8 O2 Zn4 -","1","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0855","0.0601","","","0.1683","0.1914","","","","","","1.102","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209687","9.377","0.003","11.834","0.004","12.956","0.004","64.086","0.01","79.02","0.014","71.274","0.012","1222.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl8 N8 O4 Zn4 -","- C28 H36 Cl8 N8 O4 Zn4 -","- C28 H36 Cl8 N8 O4 Zn4 -","1","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0656","0.0534","","","0.1591","0.1707","","","","","","1.077","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209688","14.1484","0.0005","14.2777","0.0005","21.0378","0.0007","106.575","0.003","95.223","0.003","100.968","0.003","3950.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H106 N2 O36 P S4 Y -","- C66 H106 N2 O36 P S4 Y -","- C132 H212 N4 O72 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.2079","0.1557","","","0.3324","0.3666","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209689","14.1613","0.0004","14.2691","0.0003","21.0932","0.0006","106.609","0.002","95.188","0.002","101.065","0.002","3960.4","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H106 Gd N2 O36 P S4 -","- C66 H106 Gd N2 O36 P S4 -","- C132 H212 Gd2 N4 O72 P2 S8 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.198","0.1553","","","0.3256","0.3542","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209690","14.0694","0.0004","14.3067","0.0005","20.9333","0.0007","105.88","0.003","95.132","0.002","101.529","0.002","3924.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H100 N2 O33 P S4 Y -","- C67 H98 N2 O33 P S4 Y -","- C134 H196 N4 O66 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","1.54178","CuKα","","0.1768","0.151","","","0.3304","0.3466","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209691","14.685","0.0005","14.7838","0.0005","21.1776","0.0006","107.952","0.003","100.973","0.002","105.689","0.003","4018.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H105 N O34 P S4 Y -","- C69 H105 N O34 P S4 Y -","- C138 H210 N2 O68 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.1204","0.0866","","","0.1684","0.187","","","","","","1.003","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209692","9.0811","0.0006","9.5438","0.0005","12.3439","0.0009","78.643","0.004","71.021","0.003","67.775","0.004","933.16","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N2 O9 S U -","- C18 H12 N2 O9 S U -","- C36 H24 N4 O18 S2 U2 -","2","1","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0378","0.0298","","","0.0671","0.0692","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209693","9.8594","0.0005","11.6695","0.0007","14.334","0.0007","70.785","0.003","77.639","0.003","71.479","0.002","1465.57","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 N14 Ni2 O34 S2 U2 -","- C40 H44 N14 Ni2 O34 S2 U2 -","- C40 H44 N14 Ni2 O34 S2 U2 -","1","0.5","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0395","0.0302","","","0.0641","0.0661","","","","","","1.023","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209694","9.2111","0.0008","13.1733","0.0006","16.0964","0.0013","84.739","0.004","83.029","0.004","87.457","0.005","1929.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 N O9 S U -","- C14 H19 N O9 S U -","- C56 H76 N4 O36 S4 U4 -","4","2","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0861","0.049","","","0.1233","0.1353","","","","","","1.04","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209695","11.5202","0.0006","14.4501","0.001","22.0213","0.001","90","","100.47","0.003","90","","3604.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N2 O11.5 S U -","- C12 H8 N2 O11.5 S U -","- C96 H64 N16 O92 S8 U8 -","8","2","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0704","0.042","","","0.0913","0.0989","","","","","","0.969","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209696","11.4801","0.0005","21.0566","0.0014","14.7227","0.001","90","","110.471","0.004","90","","3334.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O24 S2 U2 -","- C22 H30 N2 O24 S2 U2 -","- C88 H120 N8 O96 S8 U8 -","4","1","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.069","0.0448","","","0.108","0.117","","","","","","1.048","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209697","18.3342","0.0006","7.6172","0.0002","16.7658","0.0007","90","","90","","90","","2341.43","0.14","116","1","116","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H7 Cd0.5 I N7 -","- C9 H7 Cd0.5 I N7 -","- C72 H56 Cd4 I8 N56 -","8","1","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0545","0.0323","","","0.0611","0.0714","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209698","20.0843","0.0005","20.0843","0.0005","20.2408","0.0007","90","","90","","120","","7070.9","0.3","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C10.8 H8.4 B Cd0.6 F5.2 N8.4 O3.6 P0.2 -","- C10.8 H8.4 B0.996 Cd0.6 F5.184 N8.4 O3.6 P0.2 -","- C162 H126 B14.94 Cd9 F77.76 N126 O54 P3 -","15","0.833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1105","0.0814","","","0.188","0.2076","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209699","16.549","0.012","6.323","0.005","15.523","0.011","90","","109.066","0.01","90","","1535","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cd I2 N6 -","- C10 H8 Cd I2 N6 -","- C40 H32 Cd4 I8 N24 -","4","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0277","0.0236","","","0.0566","0.0596","","","","","","0.883","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209700","5.5829","0.0013","7.2843","0.0017","9.482","0.002","93.241","0.003","102.883","0.003","94.796","0.003","373.46","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cd N8 S2 -","- C12 H8 Cd N8 S2 -","- C12 H8 Cd N8 S2 -","1","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0251","0.0244","","","0.0671","0.0676","","","","","","1.074","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209701","7.4903","0.0012","12.354","0.002","16.282","0.003","101.81","0.003","97.598","0.002","91.796","0.003","1459.2","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cd2 F12 N24 O13 Si2 -","- C42 H32 Cd2 F12 N24 O13 Si2 -","- C42 H32 Cd2 F12 N24 O13 Si2 -","1","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0805","0.0714","","","0.1852","0.1961","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209702","16.247","0.004","16.247","0.004","8.146","0.004","90","","90","","120","","1862.2","1.1","150","2","150","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C30 H24 Cd Cl2 N18 O8 -","- C30 H24 Cd Cl2 N18 O8 -","- C60 H48 Cd2 Cl4 N36 O16 -","2","0.0833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0936","0.0792","","","0.2685","0.2888","","","","","","1.018","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209703","7.5567","0.0017","12.29","0.003","16.329","0.004","101.322","0.003","97.13","0.003","92.066","0.003","1472.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cd F6 N12 O6 Si -","- C20 H16 Cd F6 N12 O6 Si -","- C40 H32 Cd2 F12 N24 O12 Si2 -","2","1","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1343","0.0736","","","0.1722","0.2047","","","","","","1.046","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209704","16.21","0.004","16.21","0.004","8.07","0.004","90","","90","","120","","1836.4","1.1","173","2","173","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C30 H24 B2 Cd F8 N18 -","- C30 H24 B2 Cd F8 N18 -","- C60 H48 B4 Cd2 F16 N36 -","2","0.0833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1273","0.0897","","","0.2631","0.3056","","","","","","1.099","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209705","40.9855","0.0003","40.9855","0.0003","40.9855","0.0003","90","","90","","90","","68847.9","0.9","213","2","213","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","Zn5((Tp)Fe(CN)3)6(H2O)3.25,4.75MeCN,2.125Et2O,2H2O","Zn5[(Tp)Fe(CN)3]6(H2O)3.25,4.75MeCN,2.125Et2O,2H2O","","- C90 H106 B6 Fe6 N58.75 O7.38 Zn5 -","- C90.003 H74.1 B6 Fe6 N58.734 O7.304 Zn5 -","- C1440.05 H1185.6 B96 Fe96 N939.744 O116.864 Zn80 -","16","0.333333","","Li, Yong-Hua; Min, Yong-Gang; Wang, Shi; Zuo, Jing-Lin; Wang, Lian-Hui; Huang, Wei","An unusual (3,4)-connected cubic-C3N4 type network constructed with [FeIII(Tp)(CN)3]− (Tp− = hydrotris(pyrazolyl)borate)","CrystEngComm","2013","15","19","3772","","10.1039/c3ce27001g","","","0.71073","MoKα","","0.0658","0.0495","","","0.1289","0.1352","","","","","","0.982","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209706","20.073","0.004","20.073","0.004","15.195","0.006","90","","90","","120","","5302","3","223","2","223","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C36 H87 Cd3 Cl9 N24 O36 -","- C36 H36 Cd3 Cl9 N24 O24 -","- C108 H108 Cd9 Cl27 N72 O72 -","3","0.0833333","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0877","0.0756","","","0.2116","0.2214","","","","","","1.065","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209707","12.6","0.03","12.647","0.014","12.733","0.013","106.08","0.03","105.57","0.05","104.49","0.05","1759","5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H90 Cd3 Cl6 N24 O39 -","- C36 H36 Cd3 Cl6 N24 O30 -","- C36 H36 Cd3 Cl6 N24 O30 -","1","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.1668","0.1062","","","0.315","0.3672","","","","","","1.429","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209708","23.6197","0.0015","10.723","0.0006","29.6064","0.0017","90","","112.713","0.003","90","","6917","0.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H75 Cd2 Cl8 N24 Na3 O31 -","- C36 H36 Cd2 Cl8 N24 Na3 O18 -","- C144 H144 Cd8 Cl32 N96 Na12 O72 -","4","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0641","0.0525","","","0.1556","0.1676","","","","","","1.068","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209709","11.018","0.0005","12.4823","0.001","12.741","0.0006","107.495","0.002","108.015","0.001","97.391","0.002","1541.11","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H70 Cd2 Cl4 N24 O29 -","- C36 H36 Cd2 Cl4 N24 O16 -","- C36 H36 Cd2 Cl4 N24 O16 -","1","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0389","0.0357","","","0.1045","0.1087","","","","","","1.089","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209710","14.3175","0.0003","14.402","0.0003","22.6162","0.0004","90","","100.498","0.001","90","","4585.42","0.16","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd2 N O12 -","- C21 H21 Cd2 N O12 -","- C84 H84 Cd8 N4 O48 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0869","0.0541","","","0.138","0.1481","","","","","","0.886","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209711","22.8595","0.0006","18.742","0.0006","29.669","0.001","90","","104.858","0.001","90","","12286.2","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C207 H102 Cu24 O129 -","- C207 H102 Cu24 O129 -","- C207 H102 Cu24 O129 -","1","0.25","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0608","0.0439","","","0.1175","0.1222","","","","","","0.911","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209712","16.8167","0.0003","14.2636","0.0003","12.007","0.0003","90","","118.469","0.0009","90","","2531.82","0.1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Co2 O14 -","- C17 H18 Co2 O14 -","- C68 H72 Co8 O56 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0733","0.0502","","","0.1387","0.1511","","","","","","0.982","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209713","16.8383","0.0005","14.7317","0.0004","11.9247","0.0004","90","","117.379","0.0012","90","","2626.65","0.14","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Mn2 O14 -","- C17 H18 Mn2 O14 -","- C68 H72 Mn8 O56 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0747","0.0529","","","0.1448","0.1551","","","","","","1.003","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209714","27.6223","0.0007","10.1486","0.0002","16.6182","0.0005","90","","94.794","0.001","90","","4642.2","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 Cd3 N3 O17 -","- C34 H25 Cd3 N3 O17 -","- C136 H100 Cd12 N12 O68 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0318","0.0256","","","0.0665","0.0699","","","","","","1.053","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209715","11.6416","0.0007","14.9517","0.0009","16.6108","0.0011","90","","93.893","0.003","90","","2884.6","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cu3 N4 O18 -","- C38 H38 Cu3 N4 O18 -","- C76 H76 Cu6 N8 O36 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.059","0.0516","","","0.1712","0.1752","","","","","","1.355","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209716","12.5175","0.0002","17.86","0.0003","12.3435","0.0002","90","","112.601","0.0006","90","","2547.62","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Co3 N4 O30 -","- C38 H62 Co3 N4 O30 -","- C76 H124 Co6 N8 O60 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0739","0.048","","","0.1263","0.1434","","","","","","0.982","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209717","12.663","0.0014","18.189","0.002","12.5528","0.0014","90","","113.388","0.005","90","","2653.7","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Mn3 N2 O24 -","- C32 H32 Mn3 N2 O24 -","- C64 H64 Mn6 N4 O48 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71069","MoKα","","0.0539","0.0477","","","0.1593","0.1674","","","","","","0.978","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209718","12.4428","0.0004","17.7483","0.0006","12.2315","0.0003","90","","112.51","0.001","90","","2495.39","0.13","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 N4 Ni3 O30 -","- C38 H62 N4 Ni3 O30 -","- C76 H124 N8 Ni6 O60 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0972","0.0521","","","0.1297","0.1462","","","","","","0.916","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209719","13.7904","0.0006","13.029","0.0005","16.7784","0.0007","90","","110.786","0.001","90","","2818.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-lutidinium pamoate THF solvate","","","- C34 H33 N O7 -","- C34 H33 N O7 -","- C136 H132 N4 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0815","0.0631","","","0.1745","0.1909","","","","","","1.067","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209720","10.866","0.0012","24.737","0.003","11.8896","0.0013","90","","96.584","0.001","90","","3174.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4-lutidinium pamoate dihydrate","","","- C37 H37.36 N2 O7.68 -","- C37 H37.354 N2 O7.677 -","- C148 H149.416 N8 O30.708 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0496","0.0399","","","0.1004","0.1074","","","","","","1.062","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209721","22.064","0.003","19.904","0.002","14.513","0.0017","90","","115.221","0.002","90","","5766","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-picolinium pamoate hydrate THF solvate","","","- C33 H32 N O7.5 -","- C33 H26 N O7.5 -","- C264 H208 N8 O60 -","8","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0862","0.0551","","","0.1295","0.1509","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209722","22.221","0.003","19.525","0.003","14.438","0.002","90","","115.645","0.002","90","","5647.1","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-picolinium pamoate hydrate THF solvate","","","- C33 H32 N O7.5 -","- C33 H30 N O7.5 -","- C264 H240 N8 O60 -","8","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0829","0.0493","","","0.1142","0.1347","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209723","13.445","0.0013","14","0.0013","13.8229","0.0013","90","","114.612","0.001","90","","2365.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-lutidinium pamoate","","","- C30 H25 N O6 -","- C30 H25 N O6 -","- C120 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0504","0.0386","","","0.0939","0.1018","","","","","","1.045","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209724","13.7002","0.001","13.2762","0.001","16.7596","0.0012","90","","112.418","0.001","90","","2818","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-picolinium pamoate NMP solvate","","","- C34 H32 N2 O7 -","- C34 H32 N2 O7 -","- C136 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0892","0.0517","","","0.1222","0.144","","","","","","1.033","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209725","7.3335","0.0006","5.8827","0.0004","12.8465","0.0009","90","","99.79","0.007","90","","546.14","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0508","0.0337","","","0.0585","0.0606","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209726","7.5402","0.0002","7.5402","0.0002","22.7232","0.0001","90","","90","","90","","1291.92","0.05","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.037","0.0356","","","0.0832","0.0845","","","","","","1.008","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209727","7.5385","0.00001","7.5385","0.00001","22.7308","0.0001","90","","90","","90","","1291.77","0.006","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.033","0.0298","","","0.0632","0.0649","","","","","","1.004","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209728","5.8266","0.0002","17.2093","0.0007","23.5764","0.0001","90","","90","","90","","2364.05","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cd N2 O11 -","- C22 H30 Cd N2 O11 -","- C88 H120 Cd4 N8 O44 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0593","0.0378","","","0.0763","0.084","","","","","","1.001","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209729","21.79","0.001","21.79","0.001","6.9741","0.0005","90","","90","","90","","3311.3","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Zn(tzeg)]n","[Zn(tzeg)]n","","- C5 H7 N5 O2 Zn -","- C5 H7 N5 O2 Zn -","- C80 H112 N80 O32 Zn16 -","16","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0324","0.0297","","","0.0742","0.0758","","","","","","1.008","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209730","18.904","0.005","7.5712","0.0015","14.406","0.004","90","","120.575","0.019","90","","1775.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cd(tzeg)(H2O)]n","","","- C5 H9 Cd N5 O3 -","- C5 H9 Cd N5 O3 -","- C40 H72 Cd8 N40 O24 -","8","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0313","0.026","","","0.0643","0.0675","","","","","","1.009","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209731","18.672","0.009","7.359","0.003","14.81","0.007","90","","125.297","0.005","90","","1660.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(tzeg)(H2O)]n","[Cu(tzeg)(H2O)]n","","- C5 H9 Cu N5 O3 -","- C5 H9 Cu N5 O3 -","- C40 H72 Cu8 N40 O24 -","8","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0346","0.0279","","","0.0686","0.0728","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209732","11.5417","0.001","19.8125","0.0017","15.9144","0.0014","90","","99.277","0.002","90","","3591.5","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N7 O3 Zn -","- C36 H29 N7 O3 Zn -","- C144 H116 N28 O12 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.0648","0.0475","","","0.1288","0.1496","","","","","","1.126","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209733","10.3255","0.0006","17.0424","0.0008","19.2023","0.001","90","","105.25","0.001","90","","3260.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.52 H29.08 N7 O4.52 Zn -","- C35.52 H29.08 N7 O4.52 Zn -","- C142.08 H116.32 N28 O18.08 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.1059","0.0764","","","0.1987","0.2235","","","","","","1.056","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209734","10.0345","0.0002","17.8774","0.0005","18.5558","0.0004","90","","91.106","0.001","90","","3328.12","0.13","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N7 O5 Zn -","- C37 H33 N7 O5 Zn -","- C148 H132 N28 O20 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.0841","0.0442","","","0.1005","0.1436","","","","","","1.171","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209735","22.1947","0.0006","12.6975","0.0003","28.1501","0.0006","90","","112.104","0.001","90","","7350.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H73 N16 O9 Zn3 -","- C80 H61 N16 O9 Zn3 -","- C320 H244 N64 O36 Zn12 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.1035","0.0576","","","0.1408","0.1787","","","","","","1.091","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209736","7.0862","0.0005","9.8582","0.0007","12.1267","0.0008","71.132","0.004","83.785","0.004","86.867","0.004","796.73","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H3 Bi3 Cu N4 O11 -","- C10 H3 Bi3 Cu N4 O11 -","- C20 H6 Bi6 Cu2 N8 O22 -","2","1","","SHI, Fa-Nian; Silva, Ana Rosa; Yang, Ting-Hai; Rocha, João","Mixed Cu(ii)‒Bi(iii) metal organic framework with a 2D inorganic subnetwork and its catalytic activity","CrystEngComm","2013","15","19","3776","","10.1039/c3ce27056d","","","0.71073","MoKα","","0.0604","0.0414","","","0.0887","0.0955","","","","","","1.044","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209737","11.8179","0.001","11.8179","0.001","37.714","0.005","90","","90","","90","","5267.2","0.9","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C20 H25 Co N4 O11 -","- C20 H13 Co N4 O11 -","- C160 H104 Co8 N32 O88 -","8","0.5","","Liu, Yong-Liang; Yue, Ke-Fen; Li, Dong-Sheng; Yu, Yang; Hou, Lei; Wang, Yao-Yu","The first one-fold inclined 1D →3D polycatenation assembly from unique interweaving triple-stranded helices","CrystEngComm","2013","15","15","2791","","10.1039/c3ce27061k","","","0.71073","MoKα","","0.1195","0.0659","","","0.1745","0.2097","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209738","19.362","0.0003","19.362","0.0003","19.362","0.0003","90","","90","","90","","7258.56","0.19","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cd0.25 Cl0.06 N2 O0.25 -","- C1.5 H0.5 Cd0.25 Cl0.0625 N2 O0.25 -","- C72 H24 Cd12 Cl3 N96 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0295","0.0268","","","0.0701","0.0718","","","","","","1.131","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209739","19.2945","0.0002","19.2945","0.0002","19.2945","0.0002","90","","90","","90","","7182.91","0.13","423","2","423","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cd0.29 Cl0.13 N2 -","- C1.5 H0.5 Cd0.29 Cl0.125 N2 -","- C72 H24 Cd13.92 Cl6 N96 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0606","0.0558","","","0.164","0.1698","","","","","","1.257","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209740","18.7976","0.0003","18.7976","0.0003","18.7976","0.0003","90","","90","","90","","6642.13","0.18","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.06 Co0.29 N2 O0.25 -","- C1.5 H0.5 Cl0.0625 Co0.28 N2 O0.25 -","- C72 H24 Cl3 Co13.44 N96 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0702","0.0653","","","0.1889","0.1939","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209741","18.5015","0.0003","18.5015","0.0003","18.5015","0.0003","90","","90","","90","","6333.17","0.18","423","2","423","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.19 Co0.31 N2 -","- C1.5 H0.5 Cl0.1875 Co0.315 N2 -","- C72 H24 Cl9 Co15.12 N96 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0942","0.0873","","","0.2512","0.2583","","","","","","1.221","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209742","18.6483","0.0003","18.6483","0.0003","18.6483","0.0003","90","","90","","90","","6485.12","0.18","294","2","294","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.13 N2 Ni0.31 O0.25 -","- C1.5 H0.5 Cl0.1275 N2 Ni0.315 O0.25 -","- C72 H24 Cl6.12 N96 Ni15.12 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0723","0.0675","","","0.2012","0.2056","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209743","18.5564","0.0003","18.5564","0.0003","18.5564","0.0003","90","","90","","90","","6389.71","0.18","423","2","423","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.1 N2 Ni0.42 O0.38 -","- C1.5 H0.5 Cl0.1125 N2 Ni0.415 O0.375 -","- C72 H24 Cl5.4 N96 Ni19.92 O18 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0801","0.0525","","","0.1491","0.1866","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209744","12.1273","0.0011","13.8348","0.0014","20.0191","0.0018","73.539","0.006","73.108","0.006","70.312","0.006","2961.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","1","0.5","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1773","0.069","","","0.1617","0.2169","","","","","","1.015","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209745","15.0704","0.0004","19.5784","0.0005","20.9873","0.0006","70.3","0.001","80.675","0.001","87.877","0.001","5751.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Co2 Mn2 N20 O10 -","- C134 H104 Co2 Mn2 N20 O10 -","- C268 H208 Co4 Mn4 N40 O20 -","2","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0624","0.0459","","","0.1418","0.1577","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209746","15.0924","0.0007","19.7862","0.0009","21.0071","0.0011","70.461","0.003","81.22","0.003","88.865","0.003","5839.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","- C268 H208 Cr4 Mn4 N40 O20 -","2","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0635","0.0447","","","0.1311","0.1615","","","","","","1.028","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209747","12.0132","0.0018","13.8829","0.0019","19.838","0.003","72.979","0.002","73.582","0.002","70.255","0.002","2914.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H108 Co2 Mn2 N20 O12 -","- C134 H108 Co2 Mn2 N20 O12 -","- C134 H108 Co2 Mn2 N20 O12 -","1","0.5","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1117","0.0722","","","0.2041","0.2383","","","","","","1.017","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209748","15.9553","0.0014","17.9118","0.0016","24.897","0.002","90","","99.081","0.005","90","","7026.1","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H52 Cl4 Co Mn N10 O6 -","- C68 H52 Cl4 Co Mn N10 O6 -","- C272 H208 Cl16 Co4 Mn4 N40 O24 -","4","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0791","0.0581","","","0.1727","0.1878","","","","","","1.055","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209749","16.102","0.004","18.12","0.004","24.444","0.005","90","","99.438","0.004","90","","7035","3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H44 Cl4 Cr Mn N10 O5 -","- C65 H44 Cl4 Cr Mn N10 O5 -","- C260 H176 Cl16 Cr4 Mn4 N40 O20 -","4","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1894","0.0759","","","0.172","0.226","","","","","","1.005","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209750","8.974","0.0018","9.951","0.002","29.751","0.006","90","","90.34","0.03","90","","2656.7","0.9","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone-phenol co-crystal","","- C34 H28 N2 O3 -","- C34 H28 N2 O3 -","- C136 H112 N8 O12 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1614","0.0788","","","0.1346","0.1651","","","","","","1","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209751","8.7264","0.0017","13.335","0.003","19.06","0.004","84.69","0.03","86.33","0.03","75.72","0.03","2138.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1317","0.0667","","","0.1656","0.1947","","","","","","1.034","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209752","10.133","0.002","8.776","0.0018","16.458","0.003","90","","92.6","0.03","90","","1462.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol- 1-yl)ethanone-2-naphthol co-crystal","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C76 H60 N4 O6 -","2","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1318","0.0651","","","0.1142","0.1343","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209753","5.6999","0.0002","6.5428","0.0003","23.1874","0.001","90","","94.835","0.004","90","","861.66","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - S-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0411","0.0389","","","0.1136","0.1168","","","","","","1.097","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209754","5.7713","0.0002","6.252","0.0003","23.8346","0.0011","90","","92.047","0.004","90","","859.46","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - R-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0658","0.0642","","","0.1795","0.1811","","","","","","1.064","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209755","6.1054","0.0002","12.475","0.0005","49.1664","0.0013","90","","90","","90","","3744.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C152 H200 N8 O48 -","8","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0717","0.0524","","","0.1415","0.1566","","","","","","1.026","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209756","13.122","0.002","5.898","0.001","24.075","0.003","90","","95.56","0.005","90","","1854.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","2","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","0.71073","MoKα","","0.05","0.0421","","","0.1052","0.1124","","","","","","0.832","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209757","12.1297","0.0004","13.0897","0.0004","14.3302","0.0006","91.39","0.003","98.373","0.003","90.423","0.002","2250.21","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H73.6 Cd4 Cl2 N18 Na0.4 O26 -","- C92 H64 Cd4 Cl2 N18 Na0.4 O26 -","- C92 H64 Cd4 Cl2 N18 Na0.4 O26 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.0488","0.0374","","","0.0889","0.0955","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209758","12.138","0.0007","13.146","0.0007","14.321","0.0008","91.158","0.005","98.911","0.005","90.567","0.004","2256.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 Cd4 N18 O25 -","- C84 H60 Cd4 N18 O25 -","- C84 H60 Cd4 N18 O25 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.0856","0.0567","","","0.1438","0.1627","","","","","","1.043","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209759","10.6682","0.0006","13.4763","0.0007","15.2036","0.0005","94.98","0.004","105.397","0.004","110.916","0.005","1928.04","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H64 N18 O19 Zn2 -","- C84 H62 N18 O19 Zn2 -","- C84 H62 N18 O19 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.0686","0.0462","","","0.0996","0.1102","","","","","","1.026","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209760","10.927","0.0008","13.416","0.0007","14.968","0.001","90.755","0.005","109.04","0.006","103.885","0.005","2003.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 N18 O17 Zn2 -","- C76 H44 N18 O18 Zn2 -","- C76 H44 N18 O18 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.1462","0.0883","","","0.1751","0.1981","","","","","","1.074","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209761","10.312","0.0011","15.257","0.0013","15.919","0.0018","61.382","0.01","73.331","0.009","74.962","0.008","2083.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H68 N18 O18 Zn2 -","- C88 H66 N18 O18 Zn2 -","- C88 H66 N18 O18 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.1219","0.0751","","","0.1718","0.199","","","","","","1.074","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209762","10.44","0.0005","14.925","0.0009","15.176","0.0006","65.274","0.005","75.741","0.004","71.068","0.005","2014.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H68 N18 O14 Zn2 -","- C88 H48 N18 O14 Zn2 -","- C88 H48 N18 O14 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.1248","0.0707","","","0.161","0.1933","","","","","","1.017","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209763","25.601","0.0013","23.058","0.0008","17.317","0.0009","90","","116.446","0.007","90","","9152.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H78 Cd4 N18 O30 -","- C76 H58 Cd4 N18 O30 -","- C304 H232 Cd16 N72 O120 -","4","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.0742","0.0513","","","0.1439","0.1631","","","","","","1.047","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209764","8.503","0.013","11.983","0.017","15.39","0.02","90","","90.509","0.018","90","","1568","4","301","2","301","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C12 H48 Bi4 Cl12 N24 S12 -","4","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0643","0.0496","","","0.1012","0.109","","","","","","1.071","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209765","13.593","0.0011","13.593","0.0011","7.1406","0.0011","90","","90","","120","","1142.6","0.2","299","2","299","2","","","","","","","","6","P 3","P 3","143","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C9 H36 Bi3 Cl9 N18 S9 -","3","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0672","0.0481","","","0.0703","0.0765","","","","","","1.111","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209766","16.091","0.012","8.987","0.006","24.71","0.013","90","","128.62","0.03","90","","2792","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co N4 Ni O10 -","- C28 H25 Co N4 Ni O10 -","- C112 H100 Co4 N16 Ni4 O40 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.0666","0.0517","","","0.1686","0.1763","","","","","","1.04","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209767","15.674","0.003","8.6916","0.0017","19.06","0.004","90","","91.3","0.03","90","","2595.9","0.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cu N4 Ni O12 -","- C24 H24 Cu N4 Ni O12 -","- C96 H96 Cu4 N16 Ni4 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.04","0.0333","","","0.0907","0.0945","","","","","","1.1","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209768","15.9","0.02","8.875","0.011","24.97","0.02","90","","128.93","0.05","90","","2741","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N4 Ni O12 -","- C24 H16 Mn N4 Ni O12 -","- C96 H64 Mn4 N16 Ni4 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.1275","0.0894","","","0.2367","0.294","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209769","15.86","0.005","14.713","0.005","7.995","0.003","104.946","0.003","82.339","0.001","68.821","0.003","1626.8","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.5 H20.5 Cu I4 N4.5 O Pb -","- C21.5 H20.5 Cu I4 N4.5 O Pb -","- C43 H41 Cu2 I8 N9 O2 Pb2 -","2","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0417","0.0368","","","0.0941","0.0954","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209770","17.943","0.006","19.378","0.006","7.853","0.002","90","","95.009","0.005","90","","2720.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu I4 N4 Pb -","- C20 H16 Cu I4 N4 Pb -","- C80 H64 Cu4 I16 N16 Pb4 -","4","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0439","0.0309","","","0.0601","0.0631","","","","","","0.959","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209771","17.604","0.006","14.926","0.005","16.292","0.006","90","","105.311","0.005","90","","4129","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu I6 N6 Pb2 -","- C30 H24 Cu I6 N6 Pb2 -","- C120 H96 Cu4 I24 N24 Pb8 -","4","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0735","0.0526","","","0.1392","0.1565","","","","","","1.011","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209772","13.5031","0.0006","11.2985","0.0005","25.4543","0.0012","90","","98.694","0.004","90","","3838.8","0.3","100","2","100","2","","","","","","","Starting reagent was purchased from SIGMA","5","P 1 21/n 1","-P 2yn","14","n-butylammoniun salt of tolbutamide","","","- C16 H29 N3 O3 S -","- C16 H29 N3 O3 S -","- C128 H232 N24 O24 S8 -","8","2","","Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.","Crystalline products of tolbutamide decomposition in water after microwave treatment","CrystEngComm","2013","15","18","3582","","10.1039/c3ce40145f","","","0.71073","MoKα","","0.1041","0.0677","","","0.1339","0.1506","","","","","","1.041","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209773","5.1562","0.0002","8.325","0.0004","9.8583","0.0007","100.801","0.005","102.284","0.004","90.371","0.003","405.68","0.04","295","2","295","2","","","","","","","Starting reagent was purchased from SIGMA","5","P 1","P 1","1","p-toluenesulfonamide","","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C14 H18 N2 O4 S2 -","2","2","","Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.","Crystalline products of tolbutamide decomposition in water after microwave treatment","CrystEngComm","2013","15","18","3582","","10.1039/c3ce40145f","","","0.71073","MoKα","","0.0539","0.0421","","","0.0893","0.0972","","","","","","1.027","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209774","17.795","0.0014","7.3167","0.0006","11.3957","0.0009","90","","97.479","0.001","90","","1471.1","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0447","0.0387","","","0.1067","0.1104","","","","","","1.066","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209775","17.857","0.01","7.324","0.004","11.409","0.006","90","","97.668","0.009","90","","1478.8","1.4","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0618","0.0527","","","0.1512","0.1585","","","","","","1.051","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209776","23.6899","0.0004","23.6899","0.0004","30.8058","0.0007","90","","90","","120","","14972.3","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61.5 H69.5 N4.5 O24.5 Zn4 -","- C48 H37.98 O20 Zn4 -","- C288 H227.88 O120 Zn24 -","6","0.333333","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0561","0.0465","","","0.135","0.14","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209777","22.3139","0.0002","22.3139","0.0002","43.2016","0.0008","90","","90","","90","","21510.5","0.5","130","2","130","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C200 H240 Cd7 Cl2 N16 O68 -","- C200 H240 Cd7 Cl2 N16 O68 -","- C800 H960 Cd28 Cl8 N64 O272 -","4","0.25","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.1195","0.0526","","","0.1176","0.1295","","","","","","0.817","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209778","29.5046","0.0005","14.3407","0.0002","18.4708","0.0003","90","","90","","90","","7815.3","0.2","130","2","130","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C68 H60 O28 Pb6 -","- C68 H60 O28 Pb6 -","- C272 H240 O112 Pb24 -","4","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0673","0.03","","","0.0591","0.0624","","","","","","0.847","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209779","15.1458","0.0006","20.2514","0.0009","8.6838","0.0004","90","","90","","90","","2663.5","0.2","130","2","130","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0429","0.0376","","","0.1039","0.1061","","","","","","1.039","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209780","32.547","0.001","17.5335","0.0006","13.7923","0.0006","90","","90","","90","","7870.8","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H86 Ce2 N12 O34 -","- C66 H78 Ce2 N12 O30 -","- C264 H312 Ce8 N48 O120 -","4","0.5","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1123","0.056","","","0.0885","0.1057","","","","","","0.966","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209781","15.9742","0.0003","15.9742","0.0003","19.4383","0.0006","90","","90","","120","","4295.63","0.17","293","2","293","2","","","","","","","","7","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C48 H58 Ce F6 N8 O14 P -","- C48 H58 Ce F6 N8 O14 P -","- C144 H174 Ce3 F18 N24 O42 P3 -","3","0.25","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.0614","0.0453","","","0.121","0.1314","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209782","29.134","0.006","14.254","0.003","14.244","0.003","90","","104.1","0.03","90","","5737","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 Ce N5 O14 -","- C23 H30 Ce N5 O14 -","- C184 H240 Ce8 N40 O112 -","8","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1183","0.0838","","","0.2104","0.2347","","","","","","1.053","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209783","17.751","0.004","10.493","0.002","22.403","0.004","90","","104.44","0.03","90","","4041","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Ce N4 O8 -","- C44 H48 Ce N4 O8 -","- C176 H192 Ce4 N16 O32 -","4","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.0967","0.0615","","","0.1154","0.1317","","","","","","1.069","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209784","14.56","0.003","15.267","0.003","16.804","0.003","70.46","0.03","72.52","0.03","64.76","0.03","3129.1","1.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H62 Ce Cl2 F18 N4 O11 P3 -","- C46 H58 Ce Cl2 F18 N4 O11 P3 -","- C92 H116 Ce2 Cl4 F36 N8 O22 P6 -","2","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1062","0.0727","","","0.1905","0.216","","","","","","1.021","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209785","19.663","0.0003","19.663","0.0003","19.663","0.0003","90","","90","","90","","7602.4","0.2","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C96 H96 Cu6 Mo12 N72 O43 -","- C96 H96 Cu6 Mo12 N72 O43 -","- C192 H192 Cu12 Mo24 N144 O86 -","2","0.0416667","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71073","MoKα","","0.1236","0.1125","","","0.1915","0.1967","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209786","26.7741","0.0007","10.0535","0.0003","22.0865","0.0007","90","","97.275","0.003","90","","5897.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Mo10 N18 O42 Zn3 -","- C24 H26 Mo10 N18 O42 Zn3 -","- C96 H104 Mo40 N72 O168 Zn12 -","4","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71073","MoKα","","0.0368","0.0307","","","0.0676","0.0711","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209787","10.575","0.0005","10.894","0.0005","13.87","0.0007","87.233","0.004","72.403","0.004","66.408","0.004","1390.96","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Mo8 N18 O34 Zn2 -","- C24 H26 Mo8 N18 O34 Zn2 -","- C24 H26 Mo8 N18 O34 Zn2 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.0508","0.0356","","","0.0819","0.0895","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209788","10.549","0.0007","10.842","0.0007","13.8","0.0009","87.135","0.006","72.428","0.006","66.412","0.007","1374.43","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Co2 Mo8 N18 O34 -","- C24 H22 Co2 Mo8 N18 O34 -","- C24 H22 Co2 Mo8 N18 O34 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.0572","0.0379","","","0.0823","0.0908","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209789","12.113","0.0018","12.226","0.0015","12.289","0.0016","102.178","0.011","100.545","0.012","119.663","0.014","1454.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H52 Co2 Mo8 N18 O40 -","- C24 H24 Co2 Mo8 N18 O40 -","- C24 H24 Co2 Mo8 N18 O40 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.1432","0.069","","","0.123","0.1567","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209790","20.9095","0.0016","19.3423","0.0008","11.6313","0.0008","90","","119.1","0.01","90","","4110.3","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 Ag3 F6 O5 -","- C19 H11 Ag3 F6 O5 -","- C152 H88 Ag24 F48 O40 -","8","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0619","0.0484","","","0.1214","0.1298","","","","","","1.086","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209791","11.746","0.002","12.454","0.003","14.005","0.003","76.38","0.03","74.67","0.03","87.77","0.03","1919.7","0.8","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H16 Ag6 F15 N O12 -","- C27 H16 Ag6 F15 N O12 -","- C54 H32 Ag12 F30 N2 O24 -","2","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0594","0.0524","","","0.118","0.1226","","","","","","1.03","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209792","7.6485","0.0002","11.1943","0.0003","30.1822","0.0007","94.781","0.002","92.459","0.002","90.367","0.002","2572.7","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Ag6 N2 O10 -","- C60 H44 Ag6 N2 O10 -","- C120 H88 Ag12 N4 O20 -","2","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0709","0.0542","","","0.1253","0.1351","","","","","","1.024","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209793","9.0069","0.0018","23.389","0.005","16.537","0.005","90","","118.56","0.02","90","","3059.8","1.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 Ag5 F12 O10 -","- C23 H11 Ag5 F12 O10 -","- C92 H44 Ag20 F48 O40 -","4","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0854","0.0727","","","0.1752","0.1855","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209794","32.536","0.006","11.67","0.002","26.226","0.005","90","","127.6","0.03","90","","7890","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Ag5 F9 O10 -","- C36 H22 Ag5 F9 O10 -","- C288 H176 Ag40 F72 O80 -","8","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.1495","0.1255","","","0.4347","0.4614","","","","","","1.082","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209795","13.8833","0.0014","24.923","0.003","13.0817","0.0013","90","","114.308","0.002","90","","4125.2","0.8","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H54 Ag8 F18 N8 O14 -","- C82 H54 Ag8 F18 N8 O14 -","- C164 H108 Ag16 F36 N16 O28 -","2","0.5","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0345","0.027","","","0.0645","0.0671","","","","","","1.003","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209796","4.128","0.0004","29.664","0.003","8.02","0.0007","90","","101.296","0.009","90","","963.05","0.16","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 S -","- C4 H4 N2 S -","- C32 H32 N16 S8 -","8","2","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0686","0.0658","","","0.2012","0.2028","","","","","","1.147","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209797","8.0166","0.001","12.9113","0.0009","6.5423","0.0006","90","","90","","90","","677.16","0.11","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H5 Cl N2 S -","- C4 H5 Cl N2 S -","- C16 H20 Cl4 N8 S4 -","4","0.25","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.71073","MoKα","","0.0377","0.0318","","","0.0848","0.0867","","","","","","1.138","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209798","14.0264","0.0006","4.6351","0.0002","10.5403","0.0005","90","","90","","90","","685.26","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C16 H20 Br4 N8 S4 -","4","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0346","0.0341","","","0.0969","0.0975","","","","","","1.115","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209799","11.5502","0.0003","8.6872","0.0004","13.6237","0.0006","90","","90","","90","","1366.99","0.09","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C32 H40 Br8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0244","0.0235","","","0.0632","0.0641","","","","","","1.069","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209800","11.812","0.005","9.152","0.005","13.478","0.005","90","","90","","90","","1457","1.1","100","2","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 I N2 S -","- C4 H5 I N2 S -","- C32 H40 I8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.7107","MoKα","","0.0789","0.0439","","","0.0743","0.0841","","","","","","1.064","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209801","34.1862","0.0007","20.4477","0.0003","34.3172","0.001","90","","108.802","0.002","90","","22708.6","0.9","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C127.5 H128 As4 O4 V8 -","- C127.49 H127.98 As4 O4 V8 -","- C1019.92 H1023.84 As32 O32 V64 -","8","1","","Elschenbroich, Christoph; Lu, Feng; Harms, Klaus; Pietzonka, Clemens","Intermolecular hydrogen bonds directed tetramer and intramolecular electronic communication: paramagnetic di([5]trovacenyl)arsinous acid","CrystEngComm","2013","15","18","3525","","10.1039/c3ce40246k","","","0.71073","MoKα","","0.085","0.0442","","","0.0962","0.1076","","","","","","0.901","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209802","18.3107","0.0004","16.6058","0.0004","11.7604","0.0003","90","","99.501","0.002","90","","3526.86","0.15","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Br2 Cu N4 O6 Si2 -","- C28 H48 Br2 Cu N4 O6 Si2 -","- C112 H192 Br8 Cu4 N16 O24 Si8 -","4","0.5","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.1027","0.0859","","","0.2753","0.2887","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209803","12.1935","0.0002","20.2551","0.0003","15.1134","0.0002","90","","97.944","0.001","90","","3696.9","0.1","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Br2 Cu N4 O2 S2 Si2 -","- C28 H40 Br2 Cu N4 O2 S2 Si2 -","- C112 H160 Br8 Cu4 N16 O8 S8 Si8 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.076","0.0457","","","0.0976","0.1033","","","","","","1.013","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209804","11.9663","0.0001","11.9663","0.0001","16.2923","0.0003","90","","90","","90","","2332.93","0.05","173","2","173","2","","","","","","","","8","P 43","P 4cw","78","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.051","0.0374","","","0.0709","0.076","","","","","","0.929","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209805","11.9456","0.0001","11.9456","0.0001","16.2905","0.0004","90","","90","","90","","2324.61","0.06","173","2","173","2","","","","","","","","8","P 41","P 4w","76","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.0736","0.0585","","","0.1426","0.1613","","","","","","0.999","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209806","8.0406","0.0012","22.942","0.003","11.6153","0.0015","90","","108.4","0.012","90","","2033.1","0.5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F8 I2 N4 O -","- C16 H8 F8 I2 N4 O -","- C64 H32 F32 I8 N16 O4 -","4","1","","Saccone, Marco; Cavallo, Gabriella; Metrangolo, Pierangelo; Pace, Andrea; Pibiri, Ivana; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Halogen bond directionality translates tecton geometry into self-assembled architecture geometry","CrystEngComm","2013","15","16","3102","","10.1039/c3ce40268a","","","0.71073","MoKα","","0.034","0.0242","","","0.0532","0.0573","","","","","","1.034","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209807","13.1606","0.0012","5.5451","0.0006","31.302","0.003","90","","91.877","0.01","90","","2283.1","0.4","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F12 I2 N4 O -","- C18 H8 F12 I2 N4 O -","- C72 H32 F48 I8 N16 O4 -","4","1","","Saccone, Marco; Cavallo, Gabriella; Metrangolo, Pierangelo; Pace, Andrea; Pibiri, Ivana; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Halogen bond directionality translates tecton geometry into self-assembled architecture geometry","CrystEngComm","2013","15","16","3102","","10.1039/c3ce40268a","","","0.71073","MoKα","","0.0375","0.0327","","","0.0821","0.0841","","","","","","1.122","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209808","8.7813","0.0017","15.715","0.003","10.4219","0.0014","90","","97.572","0.013","90","","1425.7","0.4","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 N6 S4 -","- C24 H30 Cu2 N6 S4 -","- C48 H60 Cu4 N12 S8 -","2","0.5","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.7107","MoKα","","0.0964","0.0631","","","0.1805","0.2154","","","","","","1.045","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209809","9.6447","0.0003","10.2793","0.0004","10.651","0.0003","90","","91.74","0.003","90","","1055.46","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu N3 S2 -","- C8 H7 Cu N3 S2 -","- C32 H28 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0668","0.0488","","","0.1093","0.1228","","","","","","0.947","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209810","10.2175","0.0003","11.0524","0.0004","10.7815","0.0003","90","","94.854","0.003","90","","1213.17","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cu N3 S2 -","- C10 H11 Cu N3 S2 -","- C40 H44 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0515","0.0376","","","0.0849","0.0927","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209811","8.4491","0.0004","14.2366","0.0005","10.4911","0.0004","90","","105.447","0.004","90","","1216.35","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cu2 N6 S4 -","- C20 H22 Cu2 N6 S4 -","- C40 H44 Cu4 N12 S8 -","2","0.5","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0786","0.0692","","","0.1781","0.1902","","","","","","1.075","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209812","11.659","0.0004","12.0484","0.0003","28.1225","0.0007","90","","90","","90","","3950.43","0.19","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cu2 N5 S3 -","- C17 H17 Cu2 N5 S3 -","- C136 H136 Cu16 N40 S24 -","8","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.7107","MoKα","","0.0667","0.0488","","","0.1218","0.1448","","","","","","1.076","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209813","11.0461","0.0015","10.8682","0.0014","11.0982","0.0015","90","","96.472","0.002","90","","1323.9","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 B0 Cu N3 O0 S2 -","- C11 H13 Cu N3 S2 -","- C44 H52 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0474","0.0326","","","0.0742","0.0818","","","","","","1.022","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209814","6.8994","0.0004","3.8566","0.0002","31.2021","0.0019","90","","90.571","0.001","90","","830.19","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0379","0.0345","","","0.09","0.0921","","","","","","1.106","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209815","6.8823","0.0002","3.9043","0.0001","31.4618","0.0012","90","","90.077","0.003","90","","845.4","0.05","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0413","0.0319","","","0.0634","0.0651","","","","","","1.118","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209816","6.6422","0.0004","3.9472","0.0004","32.9","0.003","90","","95.552","0.007","90","","858.53","0.13","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0661","0.0389","","","0.081","0.0868","","","","","","1.041","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209817","11.318","0.0004","11.3592","0.0004","16.8666","0.0006","98.753","0.003","102.761","0.003","103.029","0.003","2013.34","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20.8 H18 Br2 O4.9 -","- C20.8 H18 Br2 O4.9 -","- C83.2 H72 Br8 O19.6 -","4","2","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0629","0.0459","","","0.1095","0.1198","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209818","8.1051","0.0003","7.1178","0.0003","12.2732","0.0005","90","","103.646","0.004","90","","688.06","0.05","298","2","298","2","","","","","","","Synthetic Product","6","P 1 21 1","P 2yb","4","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","","- C14 H11 Cl N2 O4 S -","- C14 H11 Cl N2 O4 S -","- C28 H22 Cl2 N4 O8 S2 -","2","1","","Martins, Felipe T.; Bonfilio, Rudy; Rosa, Iara M. L.; Santos, Leandro M.; Santos, Olimpia M. M.; Araújo, Magali B.; Doriguetto, Antônio C.","The form II of the antihypertensive drug chlorthalidone","CrystEngComm","2013","15","19","3767","","10.1039/c3ce40303c","","","0.71073","MoKα","","0.0306","0.028","","","0.063","0.0645","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209819","6.6796","0.0002","7.6493","0.0003","10.2128","0.0005","90","","90","","90","","521.82","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2,3,5,6-tetrafluoropyridine","","","- C5 H F4 N -","- C5 H F4 N -","- C20 H4 F16 N4 -","4","0.5","","Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.","Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine","CrystEngComm","2013","15","18","3536","","10.1039/c3ce40332g","","","0.71073","MoKα","","0.041","0.0202","","","","0.0221","0.0184","","","","","2.106","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209820","10.8764","0.0007","10.2849","0.001","11.1336","0.0015","90","","116.979","0.005","90","","1109.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Pyridine, 2,3,4,5,6-pentafluoro-","","","- C5 F5 N -","- C5 F5 N -","- C40 F40 N8 -","8","2","","Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.","Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine","CrystEngComm","2013","15","18","3536","","10.1039/c3ce40332g","","","0.71073","MoKα","","0.066","0.0295","","","","0.0326","0.024","","","","","2.944","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209821","14.9116","0.0006","21.1567","0.0009","16.8197","0.0006","90","","110.715","0.001","90","","4963.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 Cu N6 O4 P2 -","- C55 H51 Cu N6 O4 P2 -","- C220 H204 Cu4 N24 O16 P8 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0922","0.0671","","","0.2002","0.2188","","","","","","1.088","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209822","11.7362","0.0002","12.7941","0.0003","13.0346","0.0003","79.994","0.001","85.875","0.001","74.651","0.0009","1857.99","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cu F6 N8 O5 -","- C36 H30 Cu F6 N8 O5 -","- C72 H60 Cu2 F12 N16 O10 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0615","0.0575","","","0.1718","0.1762","","","","","","1.066","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209823","18.311","0.0007","15.5229","0.0006","13.5546","0.0009","90","","128.044","0.001","90","","3034.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl4 Cu2 N8 -","- C30 H24 Cl4 Cu2 N8 -","- C120 H96 Cl16 Cu8 N32 -","4","0.5","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0541","0.0407","","","0.1065","0.1117","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209824","9.4972","0.0004","18.641","0.0007","21.2437","0.0007","90","","90","","90","","3760.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl2 Cu N5 O -","- C18 H19 Cl2 Cu N5 O -","- C144 H152 Cl16 Cu8 N40 O8 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0315","0.0266","","","0.0688","0.071","","","","","","1.063","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209825","11.113","0.0003","12.054","0.0003","20.2158","0.0005","90","","95.667","0.001","90","","2694.79","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag N9 O3 -","- C30 H24 Ag N9 O3 -","- C120 H96 Ag4 N36 O12 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0358","0.0273","","","0.0634","0.0663","","","","","","1.04","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209826","13.0088","0.0007","15.4845","0.0008","14.3809","0.0008","90","","106.056","0.002","90","","2783.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag N9 O3 -","- C30 H24 Ag N9 O3 -","- C120 H96 Ag4 N36 O12 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0538","0.0377","","","0.0928","0.1016","","","","","","1.049","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209827","8.3882","0.0015","14.56","0.003","15.502","0.003","71.291","0.004","89.483","0.005","80.025","0.004","1763.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Ag2 F6 N8 O4 -","- C34 H24 Ag2 F5.97 N8 O4 -","- C68 H48 Ag4 F11.94 N16 O8 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0718","0.0504","","","0.159","0.1964","","","","","","1.037","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209828","12.1082","0.0003","12.1082","0.0003","24.2726","0.0007","90","","90","","90","","3558.57","0.16","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C17 H12 Ag F3 N4 O2 -","- C17 H12 Ag F3 N4 O2 -","- C136 H96 Ag8 F24 N32 O16 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0407","0.0354","","","0.0946","0.0993","","","","","","1.07","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209829","43.4103","0.0009","12.3013","0.0003","19.7415","0.0004","90","","112.011","0.001","90","","9773.6","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Ag N8 O3 S -","- C31 H27 Ag N8 O3 S -","- C372 H324 Ag12 N96 O36 S12 -","12","1.5","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0989","0.0643","","","0.1459","0.21","","","","","","1.106","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209830","6.8541","0.0004","10.2636","0.0006","12.8115","0.0007","90.296","0.002","100.408","0.001","95.783","0.001","881.67","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Ag N4 O3 S -","- C16 H15 Ag N4 O3 S -","- C32 H30 Ag2 N8 O6 S2 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.03","0.0265","","","0.074","0.0765","","","","","","1.069","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209831","12.0012","0.0008","12.6108","0.0008","21.0839","0.0014","81.438","0.002","85.256","0.002","74.156","0.001","3032.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H48 Ag2 F6 N16 O6 S2 -","- C62 H48 Ag2 F6 N16 O6 S2 -","- C124 H96 Ag4 F12 N32 O12 S4 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.1136","0.0634","","","0.148","0.1759","","","","","","1.018","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209832","11.3429","0.0003","12.3026","0.0004","20.4226","0.0006","90","","95.378","0.001","90","","2837.37","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag Cl N8 O4 -","- C30 H24 Ag Cl N8 O4 -","- C120 H96 Ag4 Cl4 N32 O16 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0534","0.0413","","","0.1092","0.1177","","","","","","1.041","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209833","11.323","0.0007","12.173","0.0008","20.4002","0.0013","90","","95.93","0.001","90","","2796.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag B F4 N8 -","- C30 H24 Ag B F4 N8 -","- C120 H96 Ag4 B4 F16 N32 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0376","0.0324","","","0.0842","0.0874","","","","","","1.057","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209834","10.5418","0.0006","10.6453","0.0007","10.6524","0.0006","67.967","0.001","71.49","0.002","78.281","0.002","1045.98","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au2 Cl6 N4 -","- C15 H12 Au2 Cl6 N4 -","- C30 H24 Au4 Cl12 N8 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0319","0.0221","","","0.0418","0.0447","","","","","","1","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209835","7.9242","0.0007","15.9274","0.0012","20.1872","0.0016","90","","90","","90","","2547.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Au2 Cl6 N6 -","- C19 H18 Au2 Cl6 N6 -","- C76 H72 Au8 Cl24 N24 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0263","0.0239","","","0.0568","0.0577","","","","","","1.045","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209836","17.198","0.0008","5.0156","0.0002","27.3815","0.0015","90","","97.311","0.002","90","","2342.68","0.19","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Indomethacin Nicotinamide (1/1)","2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Pyridine-3-carboxamide (1/1)","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C100 H88 Cl4 N12 O20 -","4","1","","Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare F.; Williams, Adrian C.; Spillman, Mark J.; Pidcock, Elna; Shankland, Kenneth","Application of hydrogen-bond propensity calculations to an indomethacin‒nicotinamide (1 : 1) co-crystal","CrystEngComm","2013","15","20","4041","","10.1039/c3ce40367j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209837","13.253","0.013","12.775","0.012","43.66","0.04","90","","93.319","0.012","90","","7380","12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H120 N2 O16 -","- C73 H120 N2 O16 -","- C292 H480 N8 O64 -","4","1","","Kumari, Harshita; Zhang, Jin; Erra, Loredana; Barbour, Leonard J.; Deakyne, Carol A.; Atwood, Jerry L.","Cocrystals of gabapentin with C-alkylresorcin[4]arenes","CrystEngComm","2013","15","20","4045","","10.1039/c3ce40441b","","","0.71073","MoKα","","0.1493","0.0868","","","0.2262","0.2776","","","","","","1.015","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209838","15.554","0.006","17.839","0.007","20.092","0.008","104.263","0.005","92.785","0.005","91.068","0.005","5394","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H73 N O17.63 -","- C51 H73 N O17.6315 -","- C204 H292 N4 O70.526 -","4","2","","Kumari, Harshita; Zhang, Jin; Erra, Loredana; Barbour, Leonard J.; Deakyne, Carol A.; Atwood, Jerry L.","Cocrystals of gabapentin with C-alkylresorcin[4]arenes","CrystEngComm","2013","15","20","4045","","10.1039/c3ce40441b","","","0.71073","MoKα","","0.1274","0.0769","","","0.207","0.2482","","","","","","1.015","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209839","12.6185","0.0016","6.6178","0.0008","15.435","0.0019","90","","111.15","0.007","90","","1202.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","FvFe","vollhardt10","","- C14 H8 Fe2 O4 -","- C14 H8 Fe2 O4 -","- C56 H32 Fe8 O16 -","4","1","","Hou, Zongrui; Nguyen, Son C; Lomont, Justin P; Harris, Charles B; Vinokurov, Nikolai; Vollhardt, K Peter C","Switching from Ru to Fe: picosecond IR spectroscopic investigation of the potential of the (fulvalene)tetracarbonyldiiron frame for molecular solar-thermal storage.","Physical chemistry chemical physics : PCCP","2013","15","20","7466","7469","10.1039/c3cp51292d","","","0.71073","MoKα","","0.0875","0.0405","","","0.0648","0.0765","","","","","","1.026","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7209840","7.4617","0.0015","7.5189","0.0018","9.84","0.002","109.76","0.02","90.103","0.017","90.706","0.018","519.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O S2 -","- C10 H8 N2 O S2 -","- C20 H16 N4 O2 S4 -","2","1","","Singh, Maya Shankar; Nagaraju, Anugula; Verma, Girijesh Kumar; Shukla, Gaurav; Verma, Rajiv Kumar; Srivastava, Abhijeet; Raghuvanshi, Keshav","Eco-efficient, regioselective and rapid access to 4,5-disubstituted 1,2,3-thiadiazoles via [3 + 2] cycloaddition of α-enolicdithioesters with tosyl azide under solvent-free conditions","Green Chemistry","2013","15","4","954","","10.1039/c3gc37047j","","","0.71073","MoKα","","0.0637","0.0426","","","0.0991","0.1154","","","","","","1.024","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7209841","8.0015","0.0006","8.1903","0.0006","9.1812","0.0006","85.565","0.005","75.327","0.006","86.509","0.006","579.79","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C11H10N2O2S2","","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C22 H20 N4 O4 S4 -","2","1","","Singh, Maya Shankar; Nagaraju, Anugula; Verma, Girijesh Kumar; Shukla, Gaurav; Verma, Rajiv Kumar; Srivastava, Abhijeet; Raghuvanshi, Keshav","Eco-efficient, regioselective and rapid access to 4,5-disubstituted 1,2,3-thiadiazoles via [3 + 2] cycloaddition of α-enolicdithioesters with tosyl azide under solvent-free conditions","Green Chemistry","2013","15","4","954","","10.1039/c3gc37047j","","","0.71073","MoKα","","0.0678","0.0453","","","0.1078","0.1238","","","","","","1.016","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209842","9.5564","0.0013","16.83","0.002","7.9596","0.001","90","","98.532","0.001","90","","1266","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Shen, Shao-Chun; Sun, Xing-Wen; Lin, Guo-Qiang","An eco-benign and highly efficient access to 3-heterocyclic-substituted isoindolinones in ammonia water","Green Chemistry","2013","15","4","896","","10.1039/c3gc40162f","","","0.71073","MoKα","","0.056","0.0399","","","0.0983","0.11","","","","","","1.031","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209843","7.9448","0.0012","11.1929","0.0017","18","0.003","85.128","0.002","81.477","0.002","85.234","0.002","1573.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H38 Cd2 N4 O16 -","- C23 H34 Cd2 N4 O16 -","- C46 H68 Cd4 N8 O32 -","2","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.0881","0.0621","","","0.1599","0.1685","","","","","","1.132","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209844","7.9857","0.0008","17.5783","0.0017","16.1584","0.0016","90","","94.614","0.001","90","","2260.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cd N4 O8 -","- C20 H21 Cd N4 O8 -","- C80 H84 Cd4 N16 O32 -","4","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.042","0.0345","","","0.0683","0.0703","","","","","","1.122","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209845","8.506","0.007","10.573","0.009","20.792","0.018","78.711","0.015","79.649","0.015","88.877","0.015","1804","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cd2 N6 O12 -","- C34 H38 Cd2 N6 O12 -","- C68 H76 Cd4 N12 O24 -","2","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.084","0.0583","","","0.1487","0.1625","","","","","","1.027","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209846","5.6991","0.0007","9.5878","0.0012","14.1723","0.0018","74.213","0.001","89.714","0.001","84.881","0.001","742.07","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cd N6 O10 -","- C28 H34 Cd N6 O10 -","- C28 H34 Cd N6 O10 -","1","0.5","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.0257","0.0233","","","0.0467","0.0473","","","","","","1.013","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209847","8.1772","0.0012","16.157","0.002","3.6286","0.0005","90","","101.399","0.001","90","","469.95","0.11","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Pr -","- B3 Ca4 O10 Pr -","- B6 Ca8 O20 Pr2 -","2","0.5","","Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian","Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3","CrystEngComm","2013","15","26","5226","","10.1039/c3ce00024a","","","0.71073","MoKα","","0.0153","0.0152","","","0.0305","0.0305","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209848","17.222","0.003","21.526","0.004","26.316","0.009","90","","109.84","0.03","90","","9177","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H53 As2 Na6 Ni4 O83.5 Ru3 W17 -","- C18 H18 As2 Na4 Ni4 O83.5 Ru3 W17 -","- C72 H72 As8 Na16 Ni16 O334 Ru12 W68 -","4","1","","Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin","Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties","CrystEngComm","2013","15","29","5867","","10.1039/c3ce00045a","","","0.71073","MoKα","","0.1115","0.0653","","","0.1252","0.1425","","","","","","1.05","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7209849","17.345","0.004","21.607","0.004","26.322","0.005","90","","110.05","0.02","90","","9267","3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 As2 K1.5 Na4.5 O84.5 Ru3 W17 Zn4 -","- C18 H18 As2 K1.5 Na4.5 O85.5 Ru3 W17 Zn4 -","- C72 H72 As8 K6 Na18 O342 Ru12 W68 Zn16 -","4","1","","Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin","Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties","CrystEngComm","2013","15","29","5867","","10.1039/c3ce00045a","","","0.71073","MoKα","","0.0878","0.0547","","","0.1121","0.1247","","","","","","1.021","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7209850","7.1312","0.0012","9.5963","0.0016","12.431","0.002","100.546","0.002","98.09","0.002","95.025","0.002","822.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl Er N2 O14 -","- C9 H16 Cl Er N2 O14 -","- C18 H32 Cl2 Er2 N4 O28 -","2","1","","Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng","Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating","CrystEngComm","2013","15","28","5606","","10.1039/c3ce00060e","","","0.71073","MoKα","","0.0298","0.0283","","","0.0756","0.0764","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209851","6.8722","0.0009","7.8857","0.0011","10.9592","0.0015","101.529","0.002","106.681","0.002","95.551","0.002","549.87","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H4 Cl Er N2 O8 -","- C9 H4 Cl Er N2 O8 -","- C18 H8 Cl2 Er2 N4 O16 -","2","1","","Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng","Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating","CrystEngComm","2013","15","28","5606","","10.1039/c3ce00060e","","","0.71073","MoKα","","0.0259","0.0241","","","0.0584","0.0594","","","","","","1.021","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209852","7.044","","10.511","","9.693","","90","","106.24","","90","","689.029","","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C10 H6 Cl2 Cu2 N4 O4 -","- C10 H6 Cl2 Cu2 N4 O4 -","- C20 H12 Cl4 Cu4 N8 O8 -","2","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1202","0.0942","","","0.2265","0.2602","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209853","11.545","0.007","7.765","0.005","14.669","0.009","90","","95.146","0.008","90","","1309.7","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl Cu2 N4 O5 -","- C10 H8 Cl Cu2 N4 O5 -","- C40 H32 Cl4 Cu8 N16 O20 -","4","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1617","0.1278","","","0.2654","0.2857","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209854","7.6664","0.0016","31.951","0.007","15.481","0.003","90","","90","","90","","3792.1","1.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H10 Cu3 I2 N4 O6 -","- C10 H10 Cu3 I2 N4 O6 -","- C80 H80 Cu24 I16 N32 O48 -","8","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1308","0.0867","","","0.1536","0.1696","","","","","","1.087","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209855","10.2783","0.0007","9.3993","0.0007","17.5516","0.0012","90","","103.055","0.001","90","","1651.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cd N6 O5 -","- C14 H9 Cd N6 O5 -","- C56 H36 Cd4 N24 O20 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0301","0.0258","","","0.0894","0.1047","","","","","","1.008","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209856","23.6066","0.0015","10.0599","0.0006","17.7135","0.0011","90","","124.836","0.001","90","","3452.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cd N6 O6 -","- C14 H9 Cd N6 O6 -","- C112 H72 Cd8 N48 O48 -","8","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0401","0.0307","","","0.1122","0.144","","","","","","1.015","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209857","6.9138","0.0009","17.721","0.002","15.812","0.002","90","","100.216","0.002","90","","1906.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cd N6 O5 -","- C19 H14 Cd N6 O5 -","- C76 H56 Cd4 N24 O20 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0274","0.0235","","","0.0783","0.0908","","","","","","1.003","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209858","7.6227","0.0004","10.5639","0.0005","12.0613","0.0006","68.254","0.001","84.76","0.001","76.642","0.001","877.7","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cd N6 O7 -","- C15 H9 Cd N6 O7 -","- C30 H18 Cd2 N12 O14 -","2","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0322","0.0265","","","0.0875","0.1133","","","","","","1.038","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209859","17.9451","0.0011","8.3941","0.0005","19.5874","0.0012","90","","90","","90","","2950.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H9 N6 O4 Zn -","- C15 H9 N6 O4 Zn -","- C120 H72 N48 O32 Zn8 -","8","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0476","0.0297","","","0.1041","0.1383","","","","","","1.098","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209860","12.8475","0.001","19.5073","0.0015","17.9838","0.0013","90","","95.312","0.001","90","","4487.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H27 N18 O12 Zn3 -","- C45 H27 N18 O12 Zn3 -","- C180 H108 N72 O48 Zn12 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0734","0.0395","","","0.108","0.137","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209861","10.5471","0.0005","11.3694","0.0006","12.8451","0.0007","105.556","0.001","102.637","0.001","101.969","0.001","1388.74","0.13","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Gd2 N8 O12 -","- C60 H66 Gd2 N8 O12 -","- C60 H66 Gd2 N8 O12 -","1","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0336","0.0288","","","0.0667","0.0697","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209862","10.5341","0.0004","11.3689","0.0005","12.817","0.0006","105.56","0.001","102.874","0.001","101.815","0.001","1383.19","0.1","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 N8 O12 Tb2 -","- C60 H66 N8 O12 Tb2 -","- C60 H66 N8 O12 Tb2 -","1","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0359","0.03","","","0.0666","0.0698","","","","","","1.054","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209863","12.2399","0.0005","18.9948","0.0008","14.4502","0.0006","90","","95.78","0.001","90","","3342.5","0.2","191","2","191","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 Dy2 N12 O12 -","- C68 H78 Dy2 N12 O12 -","- C136 H156 Dy4 N24 O24 -","2","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0294","0.0233","","","0.0594","0.0623","","","","","","1.107","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209864","12.34","0.003","7.8967","0.0015","14.187","0.003","90","","100.414","0.003","90","","1359.7","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","? 4-(2-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0488","0.0359","","","0.0887","0.0959","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209865","7.705","0.018","7.191","0.018","12.34","0.03","90","","92.39","0.07","90","","683","3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","? 4-(3-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0845","0.0697","","","0.1752","0.1845","","","","","","1.088","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209866","10.8467","0.0015","14.129","0.002","26.79","0.004","90","","90","","90","","4105.6","1","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","? 4-(4-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C168 H108 Cl12 N48 O24 -","12","3","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0859","0.0449","","","0.0761","0.0883","","","","","","1.026","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209867","12.448","0.004","6.999","0.002","15.083","0.004","90","","95.273","0.006","90","","1308.5","0.7","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(2-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1069","0.0844","","","0.1507","0.1596","","","","","","1.243","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7209868","7.08","0.002","8.369","0.002","13.026","0.004","102.628","0.004","94.538","0.005","114.741","0.004","671.2","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","? 4-(3-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1067","0.0821","","","0.1925","0.205","","","","","","1.167","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209869","8.55","0.005","5.256","0.003","29.749","0.018","90","","96.543","0.01","90","","1328.2","1.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","? 4-(3-Chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0993","0.0649","","","0.1399","0.1594","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209870","7.013","0.004","7.312","0.004","13.309","0.007","94.793","0.008","96.114","0.008","107.261","0.008","643.2","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","? 4-(4-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0634","0.0527","","","0.1434","0.1507","","","","","","1.07","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209871","7.587","0.008","13.601","0.014","13.338","0.013","90","","91.266","0.017","90","","1376","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(4-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1394","0.1","","","0.247","0.2781","","","","","","1.024","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209872","7.954","0.007","13.263","0.011","12.684","0.011","90","","94.559","0.014","90","","1334","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(4-Chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0637","0.0497","","","0.1148","0.1242","","","","","","1.04","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209873","5.4744","0.0014","11.366","0.003","11.235","0.003","90","","93.816","0.004","90","","697.5","0.3","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0296","0.0293","","","0.0743","0.0749","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209874","9.4462","0.0015","7.2925","0.0011","20.875","0.003","90","","96.379","0.002","90","","1429.1","0.4","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0343","0.0316","","","0.0806","0.0828","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209875","5.431","0.002","21.767","0.009","12.162","0.005","90","","101.372","0.007","90","","1409.5","1","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.039","0.037","","","0.0934","0.0952","","","","","","1.078","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209876","8.945","0.0014","15.147","0.002","10.2164","0.0017","90","","92.321","0.003","90","","1383.1","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0334","0.0302","","","0.0781","0.0805","","","","","","1.029","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209877","8.566","0.004","8.694","0.004","10.011","0.005","85.508","0.007","71.441","0.007","72.559","0.007","674.2","0.6","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0335","0.0314","","","0.0769","0.0781","","","","","","1.089","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209878","7.587","0.004","8.31","0.004","12.755","0.006","95.053","0.007","100.946","0.007","116.761","0.007","691","0.6","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0477","0.0427","","","0.0991","0.1014","","","","","","1.138","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209879","7.1884","0.0008","11.985","0.0013","16.2685","0.0017","90","","96.66","0.002","90","","1392.1","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0418","0.0345","","","0.0776","0.0812","","","","","","1.15","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209880","7.8521","0.0011","7.089","0.001","24.5","0.003","90","","90.151","0.002","90","","1363.8","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0296","0.0281","","","0.0662","0.0672","","","","","","1.172","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209881","27.638","0.006","5.5912","0.0013","17.974","0.004","90","","96.932","0.006","90","","2757.2","1.1","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C112 H72 I8 N32 O16 -","8","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0423","0.0338","","","0.0757","0.0884","","","","","","1.127","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209882","8.691","0.0004","12.9024","0.0007","14.6057","0.0008","90","","90","","90","","1637.81","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Co N4 S2 -","- C14 H14 Co N4 S2 -","- C56 H56 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0519","0.0353","","","0.0798","0.0875","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209883","8.7299","0.0005","12.9","0.0006","14.6546","0.0006","90","","90","","90","","1650.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 S2 Zn -","- C14 H14 N4 S2 Zn -","- C56 H56 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0602","0.0418","","","0.079","0.0847","","","","","","1.069","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209884","11.3517","0.0007","9.6554","0.0005","15.5866","0.0008","90","","90","","90","","1708.37","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 Co N4 S2 -","- C12 H8 Br2 Co N4 S2 -","- C48 H32 Br8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.065","0.0515","","","0.1182","0.1265","","","","","","1.054","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209885","11.3675","0.0003","9.7875","0.0003","15.6246","0.0007","90","","90","","90","","1738.38","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 N4 S2 Zn -","- C12 H8 Br2 N4 S2 Zn -","- C48 H32 Br8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0584","0.0499","","","0.0887","0.0917","","","","","","1.327","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209886","8.6064","0.0002","12.7726","0.0003","14.6199","0.0004","90","","90","","90","","1607.11","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0322","0.0291","","","0.0629","0.064","","","","","","1.111","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209887","11.2928","0.0007","9.7123","0.0005","15.1913","0.0008","90","","90","","90","","1666.17","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0398","0.0312","","","0.0754","0.0799","","","","","","1.036","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209888","8.6264","0.0004","12.7738","0.0004","14.6614","0.0004","90","","90","","90","","1615.57","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.033","0.0283","","","0.0618","0.0637","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209889","11.3237","0.0004","9.7997","0.0003","15.2661","0.0006","90","","90","","90","","1694.06","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0424","0.0376","","","0.0867","0.0891","","","","","","1.166","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209890","11.357","0.0008","9.7125","0.0005","15.391","0.0012","90","","90","","90","","1697.7","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0685","0.0507","","","0.0921","0.0986","","","","","","1.186","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209891","11.138","0.006","11.333","0.006","15.819","0.008","102.563","0.002","109.028","0.005","99.004","0.005","1785.6","1.6","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C52 H72 N2 Ni2 O14 S20 -","2","2","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0519","0.0411","","","0.1155","0.1343","","","","","","0.869","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209892","8.752","0.004","10.936","0.007","11.13","0.007","84.99","0.03","67.779","0.018","70.16","0.02","926.6","0.9","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","1","1","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0754","0.0419","","","0.0961","0.1318","","","","","","0.97","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209893","10.0145","0.0004","8.8239","0.0003","13.7249","0.0008","90","","90","","90","","1212.83","0.1","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0471","0.0383","","","0.079","0.0837","","","","","","1.031","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209894","10.0153","0.0005","9.8465","0.0005","12.7219","0.0006","90","","100.535","0.005","90","","1233.43","0.11","275","2","275","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0697","0.0446","","","0.0952","0.113","","","","","","1.046","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209895","8.9165","0.0005","13.8016","0.0008","10.3354","0.0004","90","","102.248","0.005","90","","1242.94","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0832","0.0629","","","0.1032","0.1254","","","","","","1.024","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209896","9.4912","0.0006","14.474","0.0008","10.4976","0.001","90","","104.455","0.008","90","","1396.46","0.18","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C44 H52 N20 O24 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0743","0.0626","","","0.1168","0.139","","","","","","1.025","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209897","5.6882","0.0011","7.1254","0.001","18.859","0.003","93.019","0.012","93.569","0.014","112.646","0.015","701.6","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C22 H26 N10 O12 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0975","0.0614","","","0.1457","0.1663","","","","","","1.018","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209898","9.3186","0.0019","13.311","0.003","11.444","0.002","90","","95.92","0.03","90","","1411.9","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C44 H52 N20 O24 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.092","0.0456","","","0.1178","0.1601","","","","","","1.088","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209899","6.2576","0.0013","14.176","0.003","9.4606","0.0019","90","","107.55","0.03","90","","800.2","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0952","0.0623","","","0.1382","0.1542","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209900","14.059","0.003","5.0058","0.001","21.608","0.004","90","","95.23","0.03","90","","1514.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C44 H52 Cl8 N12 O32 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0874","0.065","","","0.1848","0.2053","","","","","","1.097","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209901","6.0703","0.0013","14.175","0.003","9.5289","0.0019","90","","105.04","0.03","90","","791.8","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0991","0.0638","","","0.1525","0.1774","","","","","","1.026","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209902","10.083","0.0004","13.1064","0.0005","23.2914","0.0013","90","","103.232","0.004","90","","2996.3","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 F6 N3 P -","- C11 H12 F6 N3 P -","- C88 H96 F48 N24 P8 -","8","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0799","0.0539","","","0.1519","0.166","","","","","","1.053","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209903","7.3681","0.0015","12.231","0.002","15.253","0.003","90","","98.31","0.03","90","","1360.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F6 N3 P -","- C11 H12 F6 N3 P -","- C44 H48 F24 N12 P4 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0881","0.0681","","","0.2058","0.2261","","","","","","1.078","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209904","6.3859","0.0002","13.0144","0.0005","18.0253","0.0007","90","","98.581","0.004","90","","1481.29","0.09","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H25 F18 N6 P3 -","- C22 H25 F18 N6 P3 -","- C44 H50 F36 N12 P6 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.074","0.0508","","","0.1329","0.1538","","","","","","1.006","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209905","8.16","0.003","22.912","0.008","10.715","0.004","90","","102.583","0.005","90","","1955.2","1.2","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C5 H40 Mo6 N Na2 O42 P3 -","- C5 H8 Mo6 N Na2 O42 P3 -","- C10 H16 Mo12 N2 Na4 O84 P6 -","2","0.5","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Self-assembly of two ring-shaped hexanuclear Mo(vi) clusters","CrystEngComm","2013","15","27","5452","","10.1039/c3ce40228b","","","0.71073","MoKα","","0.0689","0.0552","","","0.1485","0.1565","","","","","","1.006","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209906","13.636","0.005","17.391","0.006","20.271","0.008","74.282","0.007","81.167","0.007","78.259","0.007","4506","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H68 Mn2 Mo12 N6 Na4 O78 P6 -","- C8 H16 Mn2 Mo12 N6 Na4 O78 P6 -","- C16 H32 Mn4 Mo24 N12 Na8 O156 P12 -","2","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Self-assembly of two ring-shaped hexanuclear Mo(vi) clusters","CrystEngComm","2013","15","27","5452","","10.1039/c3ce40228b","","","0.71073","MoKα","","0.1479","0.07","","","0.1616","0.1841","","","","","","1.037","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209907","7.7424","0.0003","10.6628","0.0006","12.8135","0.0004","112.188","0.004","93.106","0.003","104.943","0.004","932.69","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 La N O12 -","- C14 H17 La N O12 -","- C28 H34 La2 N2 O24 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0339","0.0299","","","0.0624","0.0646","","","","","","1.039","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209908","10.2113","0.0005","12.0766","0.0007","12.9701","0.0007","74.784","0.005","76.254","0.005","71.416","0.005","1442.02","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Er2 N2 O17 -","- C28 H20 Er2 N2 O17 -","- C56 H40 Er4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0618","0.0448","","","0.0887","0.097","","","","","","0.999","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209909","10.1999","0.001","12.0085","0.0012","12.9253","0.001","74.968","0.008","76.328","0.008","71.456","0.009","1429","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Yb2 -","- C28 H20 N2 O17 Yb2 -","- C56 H40 N4 O34 Yb4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0339","0.0256","","","0.0541","0.0568","","","","","","1.002","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209910","7.7062","0.0006","10.6544","0.0006","12.7524","0.0012","112.492","0.007","93.296","0.007","104.776","0.006","921.2","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ce N O12 -","- C14 H17 Ce N O12 -","- C28 H34 Ce2 N2 O24 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.029","0.0265","","","0.0632","0.0645","","","","","","1.059","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209911","10.1992","0.0006","12.4966","0.0005","13.2905","0.0007","72.375","0.004","73.51","0.005","69.764","0.005","1484.08","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Pr2 -","- C28 H20 N2 O17 Pr2 -","- C56 H40 N4 O34 Pr4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0378","0.0317","","","0.0719","0.0758","","","","","","1.041","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209912","10.1782","0.001","12.457","0.0012","13.2659","0.0013","72.476","0.009","73.363","0.009","69.928","0.009","1474.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 Nd2 O17 -","- C28 H20 N2 Nd2 O17 -","- C56 H40 N4 Nd4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0353","0.0286","","","0.0643","0.0672","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209913","10.1638","0.0004","12.3381","0.0005","13.1801","0.0007","73.301","0.004","74.382","0.004","70.393","0.004","1463.71","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Sm2 -","- C28 H20 N2 O17 Sm2 -","- C56 H40 N4 O34 Sm4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0489","0.0375","","","0.0726","0.077","","","","","","1.038","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209914","10.1851","0.0009","12.2709","0.0012","13.1055","0.0017","73.633","0.01","75.226","0.009","70.826","0.008","1460.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Eu2 N2 O17 -","- C28 H20 Eu2 N2 O17 -","- C56 H40 Eu4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0387","0.0286","","","0.0614","0.0646","","","","","","1.036","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209915","10.2255","0.0007","12.2071","0.0007","13.0585","0.001","74.105","0.006","75.466","0.006","71.01","0.006","1458.71","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Gd2 N2 O17 -","- C28 H20 Gd2 N2 O17 -","- C56 H40 Gd4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0493","0.035","","","0.0615","0.0658","","","","","","1.014","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209916","10.2253","0.0005","12.1473","0.0006","13.0025","0.0006","74.69","0.004","75.995","0.004","71.226","0.004","1452.88","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Tb2 -","- C28 H20 N2 O17 Tb2 -","- C56 H40 N4 O34 Tb4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0387","0.0317","","","0.0733","0.0764","","","","","","1.092","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209917","10.223","0.0004","12.1165","0.0005","12.9755","0.0005","74.697","0.003","76.106","0.003","71.311","0.004","1447.07","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Dy2 N2 O17 -","- C28 H20 Dy2 N2 O17 -","- C56 H40 Dy4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0447","0.0325","","","0.0603","0.0642","","","","","","1.023","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209918","10.2863","0.0003","4.1579","0.0001","16.339","0.0005","90","","98.83","0.003","90","","690.53","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B La Mo O6 -","- B La Mo O6 -","- B6 La6 Mo6 O36 -","6","3","","Yu, Yan; Li, Lingyun; Lin, Zhoubin; Wang, Guofu","Growth, structure and optical properties of a nonlinear optical crystal α-LaBMoO6","CrystEngComm","2013","15","26","5245","","10.1039/c3ce40364e","","","0.71073","MoKα","","0.0382","0.03","","","0.0707","0.079","","","","","","0.999","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209919","8.1571","0.001","14.7919","0.0018","20.877","0.003","108.625","0.002","95.964","0.002","98.671","0.002","2328.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 Co4 N4 O14 -","- C54 H34 Co4 N4 O14 -","- C108 H68 Co8 N8 O28 -","2","1","","Liu, Bo; Liu, Bin; Pang, Lingyan; Yang, Guoping; Cui, Lin; Wang, Yao-Yu; Shi, Qizhen","Unprecedented 1D alternate Co5 chain and discrete Co3 unit embedded in a 3D framework exhibiting slow magnetic relaxation behaviour","CrystEngComm","2013","15","26","5205","","10.1039/c3ce40373d","","","0.71073","MoKα","","0.0902","0.0537","","","0.1325","0.1612","","","","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209920","20.5909","0.0004","20.5909","0.0004","28.3082","0.0009","90","","90","","120","","10394.3","0.4","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0308","","","0.0734","0.0746","","","","","","1.072","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209921","20.609","0.003","20.609","0.003","28.314","0.004","90","","90","","120","","10415","3","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0704","","","0.1639","0.1652","","","","","","1.106","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209922","10.5251","0.0007","11.6823","0.0007","15.5758","0.0008","110.077","0.003","92.702","0.004","109.083","0.004","1672.3","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 Cd2 N8 O6 -","- C37 H25 Cd2 N8 O6 -","- C74 H50 Cd4 N16 O12 -","2","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","Oxalate-extended Cd2±-acylhydrazidate coordination polymers: synthesis, structure and fluorescence property","CrystEngComm","2013","15","29","5919","","10.1039/c3ce40416a","","","0.71073","MoKα","","0.033","0.0259","","","0.0667","0.0723","","","","","","1.034","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209923","14.326","0.003","17.238","0.003","7.4095","0.0015","90","","97.4","0.03","90","","1814.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd2 N6 O8 -","- C16 H8 Cd2 N6 O9 -","- C64 H32 Cd8 N24 O36 -","4","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","Oxalate-extended Cd2±-acylhydrazidate coordination polymers: synthesis, structure and fluorescence property","CrystEngComm","2013","15","29","5919","","10.1039/c3ce40416a","","","0.71073","MoKα","","0.0431","0.0361","","","0.0866","0.093","","","","","","1.004","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209924","13.9731","0.0004","26.4604","0.0007","19.5809","0.0006","90","","90","","90","","7239.7","0.4","100.1","","100.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 La2 O51 S12 -","- C36 H18 La2 O51 S12 -","- C144 H72 La8 O204 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0455","","","","0.1257","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209925","13.916","0.0008","26.5308","0.0013","19.3049","0.0011","90","","90","","90","","7127.4","0.7","110.1","","110.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 Ce2 O47 S12 -","- C36 H18 Ce2 O47 S12 -","- C144 H72 Ce8 O188 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0722","","","","0.2427","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209926","15.5737","0.0006","12.2953","0.0005","20.6509","0.0008","90","","110.621","0.0011","90","","3701","0.3","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H74 Eu2 O56 S12 -","- C36 H74 Eu2 O56 S12 -","- C72 H148 Eu4 O112 S24 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.027","","","","0.068","","","","","","1.021","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209927","14.9888","0.0007","12.4793","0.0006","20.4181","0.001","90","","109.189","0.0015","90","","3607","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 Lu2 O56 S12 -","- C36 H18 Lu2 O56 S12 -","- C72 H36 Lu4 O112 S24 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0537","","","","0.1256","","","","","","1.158","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209928","15.5538","0.0004","12.2885","0.0004","20.6249","0.0006","90","","110.567","0.0009","90","","3690.84","0.19","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H78 O56 S12 Tb2 -","- C36 H78 O56 S12 Tb2 -","- C72 H156 O112 S24 Tb4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0207","","","","0.0543","","","","","","1.109","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209929","15.4846","0.0007","12.3023","0.0005","20.5851","0.0008","90","","110.451","0.0012","90","","3674.2","0.3","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H78 O56 S12 Tm2 -","- C36 H78 O56 S12 Tm2 -","- C72 H156 O112 S24 Tm4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0263","","","","0.0619","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209930","15.4625","0.0005","12.2942","0.0004","20.5701","0.0006","90","","110.442","0.0008","90","","3664.1","0.2","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 O56 S12 Yb2 -","- C36 H18 O56 S12 Yb2 -","- C72 H36 O112 S24 Yb4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0471","","","","0.115","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209931","7.9992","0.0006","9.3303","0.0005","9.5016","0.0004","95.094","0.004","97.795","0.005","108.464","0.006","659.85","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Mn N2 O6 P -","- C11 H10 Mn N2 O6 P -","- C22 H20 Mn2 N4 O12 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0394","0.0314","","","0.0692","0.072","","","","","","1.04","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209932","6.1008","0.0008","6.7115","0.0007","12.9864","0.0008","92.04","0.007","95.79","0.008","107.914","0.008","502.13","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H7 Mn N O8 P -","- C7 H7 Mn N O8 P -","- C14 H14 Mn2 N2 O16 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0397","0.0306","","","0.0676","0.0718","","","","","","1.057","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209933","7.7715","0.0009","9.4619","0.0008","10.7591","0.0008","114.628","0.007","90.843","0.006","102.125","0.008","698.47","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Mn N2 O6 P -","- C13 H10 Mn N2 O6 P -","- C26 H20 Mn2 N4 O12 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0423","0.0321","","","0.0724","0.077","","","","","","1.068","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209934","17.7951","0.0006","6.9089","0.0003","13.0784","0.0005","90","","109.667","0.002","90","","1514.12","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitrobenzoic acid 4-phenylpyridine","3-nitrobenzoic acid 4-phenylpyridine","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0512","0.0424","","","0.117","0.1255","","","","","","1.052","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209935","8.1839","0.0002","10.88","0.0003","19.2168","0.0005","73.589","0.001","83.558","0.001","68.897","0.001","1531.19","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-aminobenzoic acid 4-phenylpyridine","4-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0779","0.0445","","","0.0966","0.1143","","","","","","1.02","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209936","9.5861","0.0009","10.1179","0.0009","14.4262","0.0011","88.676","0.007","76.576","0.007","64.447","0.009","1223.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4-phenylpyridinium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","4-phenylpyridinium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","","- C25 H17 N5 O12 -","- C25 H17 N5 O12 -","- C50 H34 N10 O24 -","2","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0721","0.0374","","","0.0701","0.0757","","","","","","0.838","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209937","7.0267","0.0005","19.4733","0.0015","10.9698","0.0008","90","","102.362","0.003","90","","1466.23","0.19","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-phenylpyridinium gallate","4-phenylpyridinium gallate","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0378","0.036","","","0.0993","0.101","","","","","","1.05","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209938","22.4605","0.0005","7.1673","0.0002","20.0652","0.0005","90","","116.438","0.001","90","","2892.3","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-phenylpyridinium saliyclate","4-phenylpyridinium saliyclate","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0756","0.0565","","","0.1565","0.1654","","","","","","1.167","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209939","7.5367","0.0013","10.0173","0.0018","19.429","0.004","90","","92.881","0.008","90","","1465","0.5","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0542","0.0414","","","0.1051","0.1154","","","","","","1.025","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209940","7.5472","0.0009","10.0169","0.0012","19.516","0.003","90","","92.845","0.006","90","","1473.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0564","0.0421","","","0.1116","0.1192","","","","","","1.053","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209941","7.557","0.0007","10.0088","0.001","19.597","0.002","90","","92.793","0.005","90","","1480.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0621","0.0432","","","0.1133","0.1232","","","","","","1.044","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209942","7.5656","0.0006","10.0044","0.0009","19.6836","0.0018","90","","92.755","0.004","90","","1488.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0587","0.0474","","","0.1262","0.138","","","","","","1.031","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209943","43.423","0.005","10.002","0.001","16.577","0.0018","90","","97.896","0.01","90","","7131.4","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 Cu2 N8 O15 Si6 -","- C48 H90 Cu2 N8 O15 Si6 -","- C192 H360 Cu8 N32 O60 Si24 -","4","0.5","","Vlad, Angelica; Zaltariov, Mirela-Fernanda; Shova, Sergiu; Novitchi, Ghenadie; Varganici, Cristian-Dragos; Train, Cyrille; Cazacu, Maria","Flexible linkers and dinuclear metallic nodes build up an original metal‒organic framework","CrystEngComm","2013","15","26","5368","","10.1039/c3ce40506k","","","0.7107","MoKα","","0.1679","0.0951","","","0.2342","0.2736","","","","","","1.018","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209944","7.936","0.002","12.2","0.003","34.428","0.007","90","","90","","90","","3333.3","1.4","80","2","80","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1684","0.0993","","","0.181","0.2168","","","","","","1.06","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209945","7.89","0.002","12.081","0.003","34.782","0.005","90","","90","","90","","3315.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-serinate methanol 1.57-solvate","","- C34.57 H42.28 N4 O11.57 -","- C34.57 H42.28 N4 O11.57 -","- C138.28 H169.12 N16 O46.28 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1454","0.0565","","","0.115","0.1388","","","","","","0.934","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209946","7.938","0.002","12.33","0.003","35.775","0.005","90","","90","","90","","3501.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.84~L~0.16~)-threoninate ethanol solvate 0.79-hydrate","","- C36 H45.61 N4 O11.81 -","- C36 H45.588 N4 O11.794 -","- C144 H182.352 N16 O47.176 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.1631","0.0888","","","0.1948","0.2306","","","","","","0.834","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209947","7.904","0.002","12.189","0.003","15.721","0.003","106.65","0.02","103.48","0.02","98.91","0.03","1370.6","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3-nitrobenzoyl)-L-valinate brucine pentahydrate","","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","1","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1019","0.0511","","","0.0744","0.0902","","","","","","0.964","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209948","7.88","0.003","12.092","0.002","34.308","0.006","90","","90","","90","","3269","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-D-alaninate methanol 1.61-solvate","","- C34.61 H42.45 N4 O10.61 -","- C34.615 H42.461 N4 O10.615 -","- C138.46 H169.844 N16 O42.46 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0798","0.0485","","","0.0972","0.1132","","","","","","1.032","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209949","7.919","0.002","12.266","0.003","34.42","0.005","90","","90","","90","","3343.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-L-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0867","0.0711","","","0.1577","0.1638","","","","","","1.14","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209950","12.144","0.003","7.893","0.002","34.093","0.005","90","","90.63","0.03","90","","3267.7","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3-nitrobenzoy)-(D~0.55~L~0.45~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0909","0.0828","","","0.2016","0.2066","","","","","","1.172","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209951","7.826","0.002","12.048","0.003","35.119","0.006","90","","90","","90","","3311.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.73~L~0.27~)-alaninate propan-1-ol solvate","","- C36 H44 N4 O10 -","- C36 H44 N4 O10 -","- C144 H176 N16 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.5417","CuKα","","0.0808","0.0684","","","0.1715","0.1959","","","","","","1.055","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209952","7.798","0.002","12.117","0.003","35.287","0.005","90","","90","","90","","3334.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.77~L~0.23~)-alaninate propan-1,2-diol solvate","","- C36 H44 N4 O11 -","- C36 H44 N4 O11 -","- C144 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1351","0.0773","","","0.1727","0.1912","","","","","","1.023","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209953","7.882","0.002","12.211","0.003","35.713","0.006","90","","90","","90","","3437.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.51~L~0.49~)-alaninate propan-1,3-diol solvate","","- C36 H44 N4 O11 -","- C36.003 H44.008 N4 O11.002 -","- C144.012 H176.032 N16 O44.008 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1498","0.0704","","","0.1648","0.216","","","","","","0.984","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209954","7.922","0.002","12.252","0.003","35.746","0.006","90","","90","","90","","3469.5","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.82~L~0.18~)-alaninate butanol-1,2-diol 0.82-solvate 0.27-hydrate","","- C36.28 H44.74 N4 O10.91 -","- C36.284 H44.21 N4 O10.911 -","- C145.136 H176.84 N16 O43.644 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1495","0.0659","","","0.1374","0.1737","","","","","","1.033","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209955","7.837","0.002","12.202","0.003","35.412","0.006","90","","90","","90","","3386.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.59~L~0.41~)-alaninate butanol-1,2-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1156","0.0719","","","0.1806","0.1954","","","","","","1.071","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209956","7.906","0.002","12.047","0.003","35.802","0.004","90","","90","","90","","3409.9","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.57~L~0.43~)-alaninate butan-1,4-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.2015","0.0436","","","0.0602","0.0831","","","","","","0.756","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209957","7.944","0.002","12.52","0.003","33.073","0.004","90","","90","","90","","3289.4","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-D-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H42 N4 O13 -","- C132 H168 N16 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0514","0.0353","","","0.0717","0.0758","","","","","","0.94","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209958","7.835","0.002","12.067","0.003","34.634","0.006","90","","90","","90","","3274.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-L-serinate methanol solvate hydrate","","- C34 H42 N4 O12 -","- C34 H42 N4 O12 -","- C136 H168 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1096","0.048","","","0.0825","0.0953","","","","","","0.882","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209959","12.47","0.003","13.622","0.003","14.178","0.004","90","","90","","90","","2408.4","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine propan-1,2-diol solvate 0.19-hydrate","","- C26 H34.38 N2 O6.19 -","- C25.998 H34.369 N2 O6.185 -","- C103.992 H137.476 N8 O24.74 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0778","0.0588","","","0.1624","0.1797","","","","","","1.034","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209960","12.481","0.002","13.65","0.002","13.981","0.003","90","","90","","90","","2381.9","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine butan-1,2-diol 0.84-solvate 0.16-hydrate","","- C26.37 H34.74 N2 O5.84 -","- C26.372 H34.43 N2 O5.844 -","- C105.488 H137.72 N8 O23.376 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.0557","0.055","","","0.1489","0.1506","","","","","","1.048","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209961","15.2305","0.0018","15.2305","0.0018","15.2305","0.0018","90","","90","","90","","3533","0.7","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C12 H72 Co4 K O72 Ru6 -","- C12 H72.24 Co4 K O72 Ru6 -","- C24 H144.48 Co8 K2 O144 Ru12 -","2","0.0208333","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0499","0.0499","","","0.1625","0.1625","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209962","9.644","0.0019","9.592","0.0019","11.141","0.002","90","","109.71","0.03","90","","970.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H20 Co K O22 Ru2 -","- C4 H20 Co K O22 Ru2 -","- C8 H40 Co2 K2 O44 Ru4 -","2","1","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0389","0.0338","","","0.0717","0.0735","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209963","18.408","0.004","9.3923","0.0019","10.07","0.002","90","","90","","90","","1741","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H10 Co K O17 Ru2 -","- C4 H10 Co K O17 Ru2 -","- C16 H40 Co4 K4 O68 Ru8 -","4","0.5","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0669","0.0549","","","0.1483","0.1566","","","","","","1.083","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209964","9.586","0.0019","10.713","0.002","13.527","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0273","0.0237","","","0.064","0.0662","","","","","","0.88","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209965","9.589","0.0019","10.709","0.002","13.528","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0255","0.0235","","","0.0627","0.0635","","","","","","1.065","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209966","9.5958","0.0019","10.99","0.002","12.258","0.003","90","","90","","90","","1292.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cu N4 O3 -","- C12 H12 Cu N4 O3 -","- C48 H48 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0293","0.0238","","","0.0518","0.0525","","","","","","0.96","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209967","8.2239","0.0016","9.5128","0.0019","10.46","0.002","64.03","0.03","71.43","0.03","83.95","0.03","696.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br2 Cu2 N8 O4 -","- C24 H22 Br2 Cu2 N8 O4 -","- C24 H22 Br2 Cu2 N8 O4 -","1","0.5","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0843","0.0759","","","0.1943","0.1973","","","","","","1.266","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209968","9.518","0.004","11.058","0.004","14.814","0.006","92.275","0.007","105.925","0.007","109.584","0.006","1397.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br Cu N4 O2 -","- C12 H11 Br Cu N4 O2 -","- C48 H44 Br4 Cu4 N16 O8 -","4","2","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.1529","0.0659","","","0.1619","0.1906","","","","","","1.018","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209969","13.724","0.003","13.478","0.003","15.482","0.007","90","","117.98","0.02","90","","2529","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br Cu N4 O2 -","- C11 H9 Br Cu N4 O2 -","- C88 H72 Br8 Cu8 N32 O16 -","8","2","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0426","0.0271","","","0.0656","0.0707","","","","","","1.057","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209970","10.2341","0.0002","10.5536","0.0002","10.9976","0.0002","94.6444","0.0018","108.019","0.0019","108.183","0.002","1052.24","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Mn2 N10 O4 Pt S6 -","- C38 H28 Mn2 N10 O4 Pt S6 -","- C38 H28 Mn2 N10 O4 Pt S6 -","1","0.5","","Šilha, Tomáš; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic characterizations of the first manganese(iii) Schiff base complexes involving hexathiocyanidoplatinate(iv) bridges","CrystEngComm","2013","15","26","5351","","10.1039/c3ce40524a","","","0.71073","MoKα","","0.0143","0.0142","","","0.0363","0.0364","","","","","","1.048","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209971","14.055","0.0004","14.4443","0.0004","17.5311","0.0007","90","","122.72","0.002","90","","2994.32","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Mn2 N10 O10 Pt S6 -","- C56 H52 Mn2 N10 O10 Pt S6 -","- C112 H104 Mn4 N20 O20 Pt2 S12 -","2","0.5","","Šilha, Tomáš; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic characterizations of the first manganese(iii) Schiff base complexes involving hexathiocyanidoplatinate(iv) bridges","CrystEngComm","2013","15","26","5351","","10.1039/c3ce40524a","","","0.71073","MoKα","","0.0434","0.0314","","","0.0784","0.0812","","","","","","0.997","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209972","49.033","0.002","8.9877","0.0003","18.4357","0.0006","90","","90","","90","","8124.5","0.5","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cd Cl2 N14 O18 -","- C80 H80 Cd Cl2 N14 O18 -","- C320 H320 Cd4 Cl8 N56 O72 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1186","0.0712","","","0.1952","0.2251","","","","","","1.031","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209973","49.17","0.004","9.0156","0.0007","18.0678","0.0015","90","","90","","90","","8009.4","1.1","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cl2 N14 O18 Zn -","- C80 H78 Cl2 N14 O18 Zn -","- C320 H312 Cl8 N56 O72 Zn4 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1246","0.11","","","0.3009","0.3135","","","","","","1.235","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209974","25.242","0.009","19.401","0.007","8.718","0.003","90","","91.011","0.006","90","","4269","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 Cu I N9 O6 -","- C43 H45 Cu I N9 O6 -","- C172 H180 Cu4 I4 N36 O24 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1038","0.0932","","","0.2713","0.2845","","","","","","1.077","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209975","46.404","0.005","8.9009","0.0009","19.4327","0.0019","90","","90.374","0.003","90","","8026.3","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H75 Cu N19 O9 S2 -","- C83 H75 Cu N19 O9 S2 -","- C332 H300 Cu4 N76 O36 S8 -","4","0.5","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.0934","0.0593","","","0.1543","0.1869","","","","","","1.102","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209976","29.174","0.004","16.934","0.002","18.119","0.002","90","","110.166","0.002","90","","8402.6","1.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C83 H76 N15 O12 -","- C83 H76 N15 O12 -","- C332 H304 N60 O48 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1026","0.0818","","","0.2206","0.251","","","","","","1.077","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209977","7.2366","0.0003","8.4314","0.0003","7.2292","0.0003","90","","90","","90","","441.09","0.03","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C3 H3 I3 N2 -","- C3 H3 I3 N2 -","- C6 H6 I6 N4 -","2","0.25","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0276","0.023","","","0.0492","0.0514","","","","","","1.056","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209978","7.8732","0.0005","15.4592","0.0007","9.6771","0.0006","90","","106.647","0.006","90","","1128.47","0.12","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 I N2 -","- C3 H5 I N2 -","- C24 H40 I8 N16 -","8","2","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0683","0.0624","","","0.132","0.1342","","","","","","1.276","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209979","7.8956","0.0009","7.8956","0.0009","8.0774","0.0016","90","","90","","120","","436.09","0.11","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C3 H5 I N2 -","- C2.9988 H4.998 I N1.9992 -","- C8.9964 H14.994 I3 N5.9976 -","3","0.0833333","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0204","0.0204","","","0.0547","0.0547","","","","","","0.975","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209980","13.9633","0.0016","15.6595","0.001","14.9399","0.0013","90","","116.778","0.007","90","","2916.4","0.5","115","2","115","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I4 N4 -","- C6 H10 I4 N4 -","- C48 H80 I32 N32 -","8","1","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0581","0.0463","","","0.1224","0.1289","","","","","","1.201","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7209981","14.1543","0.0012","15.7359","0.001","27.1076","0.0017","90","","90","","90","","6037.7","0.7","295","2","295","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H20 I8 N8 -","- C12 H20 I8 N8 -","- C96 H160 I64 N64 -","8","0.25","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.1018","0.0343","","","0.0869","0.1057","","","","","","0.834","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209982","23.746","0.008","12.946","0.004","15.957","0.005","90","","90","","90","","4905","3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Mn2 N14 O4 -","- C18 H16 Mn2 N14 O4 -","- C144 H128 Mn16 N112 O32 -","8","1","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping","Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties","CrystEngComm","2013","15","27","5412","","10.1039/c3ce40565f","","","0.71073","MoKα","","0.0698","0.0542","","","0.1264","0.1356","","","","","","1.032","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209983","19.6971","0.0009","19.6971","0.0009","19.9978","0.0008","90","","90","","90","","7758.7","0.6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H21 Mn2 N15 O3 -","- C21 H21 Mn2 N15 O3 -","- C168 H168 Mn16 N120 O24 -","8","0.5","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping","Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties","CrystEngComm","2013","15","27","5412","","10.1039/c3ce40565f","","","0.71073","MoKα","","0.0711","0.0624","","","0.1755","0.1846","","","","","","1.064","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209984","16.2278","0.0013","10.2439","0.0009","17.3848","0.0014","90","","113.77","0.002","90","","2644.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 Cu Mn N2 O15 -","- C19 H26 Cl2 Cu Mn N2 O15 -","- C76 H104 Cl8 Cu4 Mn4 N8 O60 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0524","0.0396","","","0.1233","0.1341","","","","","","1.072","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209985","16.3338","0.001","10.193","0.0007","17.2984","0.0012","90","","114.814","0.002","90","","2614.1","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 Cu Fe N2 O15 -","- C19 H26 Cl2 Cu Fe N2 O15 -","- C76 H104 Cl8 Cu4 Fe4 N8 O60 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0487","0.0405","","","0.1348","0.1455","","","","","","1.161","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209986","11.5653","0.0015","26.5","0.003","22.771","0.003","90","","95.591","0.002","90","","6945.7","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 Cl2 Cu3 Mn N6 O24 -","- C69 H68 Cl2 Cu3 Mn N6 O24 -","- C276 H272 Cl8 Cu12 Mn4 N24 O96 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0618","0.0387","","","0.117","0.1384","","","","","","0.942","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209987","11.557","0.002","26.632","0.005","22.822","0.005","90","","95.719","0.006","90","","6989","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 Cl2 Cu3 Fe N6 O24 -","- C69 H68 Cl2 Cu3 Fe N6 O24 -","- C276 H272 Cl8 Cu12 Fe4 N24 O96 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0565","0.0376","","","0.1168","0.135","","","","","","0.953","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209988","12.2417","0.0004","12.8209","0.0005","20.5866","0.0008","94.519","0.003","90.329","0.003","111.576","0.003","2993.2","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H58 Cu3 N10 O52 P Tb W11 -","- C12 H40 Cu3 N10 O52 P Tb W11 -","- C24 H80 Cu6 N20 O104 P2 Tb2 W22 -","2","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Novel organic‒inorganic hybrid one-dimensional chain assembled by oxalate-bridging terbium-substituted phosphotungstate dimers and dinuclear copper(ii)‒oxalate clusters","CrystEngComm","2013","15","26","5209","","10.1039/c3ce40573g","","","0.71073","MoKα","","0.0519","0.0399","","","0.0962","0.1013","","","","","","1.063","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209989","10.814","0.0013","10.814","0.0013","25.41","0.004","90","","90","","90","","2971.5","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H13 N7 O8 Zn2 -","- C19 H13 N7 O8 Zn2 -","- C76 H52 N28 O32 Zn8 -","4","0.5","","Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun","The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties","CrystEngComm","2013","15","28","5673","","10.1039/c3ce40574e","","","0.71073","MoKα","","0.0325","0.0319","","","0.0873","0.0879","","","","","","1.096","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209990","20.73","0.008","14.751","0.005","20.709","0.008","90","","97.174","0.004","90","","6283","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cd2 N9 O9 -","- C27 H27 Cd2 N9 O9 -","- C216 H216 Cd16 N72 O72 -","8","1","","Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun","The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties","CrystEngComm","2013","15","28","5673","","10.1039/c3ce40574e","","","0.71073","MoKα","","0.0801","0.0626","","","0.1886","0.2053","","","","","","1.081","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209991","7.5673","0.0005","9.3773","0.0005","7.7862","0.0005","90","","108.734","0.007","90","","523.24","0.06","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Mg N2 O8 -","- C8 H12 Mg N2 O8 -","- C16 H24 Mg2 N4 O16 -","2","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0405","0.0368","","","0.1088","0.1116","","","","","","1.192","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209992","7.5941","0.0004","5.6569","0.0003","13.1056","0.0006","90","","95.284","0.004","90","","560.61","0.05","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Ca N2 O8 -","- C8 H12 Ca N2 O8 -","- C16 H24 Ca2 N4 O16 -","2","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0296","0.0257","","","0.0649","0.0669","","","","","","1.129","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209993","23.6213","0.0016","6.9431","0.0005","8.0865","0.0004","90","","104.072","0.009","90","","1286.43","0.15","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O9 Sr -","- C8 H14 N2 O9 Sr -","- C32 H56 N8 O36 Sr4 -","4","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0211","0.0196","","","0.0494","0.0501","","","","","","1.049","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209994","4.6423","0.0002","13.5308","0.0006","17.7254","0.0009","90","","93.474","0.004","90","","1111.36","0.09","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ba N2 O7 -","- C8 H10 Ba N2 O7 -","- C32 H40 Ba4 N8 O28 -","4","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0151","0.015","","","0.0352","0.0353","","","","","","1.2","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209995","17.7748","0.0005","10.7982","0.0003","19.9149","0.0005","90","","106.716","0.003","90","","3660.86","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl10 Cr14 H97 N29 O5 S16 -","- Cl10 Cr14 H97 N29 O5 S16 -","- Cl20 Cr28 H194 N58 O10 S32 -","2","0.25","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]","CrystEngComm","2013","15","28","5594","","10.1039/c3ce40592c","","","0.71073","MoKα","","0.0482","0.0288","","","0.0674","0.07","","","","","","1.006","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209996","15.1894","0.0004","12.7155","0.0003","16.4353","0.0004","90","","90","","90","","3174.33","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H22 As2 Br2.43 Cl1.56 N4 S8 Sn2 -","- C12 H22 As2 Br2.434 Cl1.56 N4 S8 Sn2 -","- C48 H88 As8 Br9.736 Cl6.24 N16 S32 Sn8 -","4","0.5","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]","CrystEngComm","2013","15","28","5594","","10.1039/c3ce40592c","","","0.71073","MoKα","","0.0471","0.0314","","","0.0641","0.0706","","","","","","1.005","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209997","29.585","0.013","3.8211","0.0018","11.156","0.005","90","","97.327","0.005","90","","1250.9","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Potassium hydrogen bis(benzoate)","","","- C14 H11 K O4 -","- C14 H11 K O4 -","- C56 H44 K4 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0548","0.0494","","","0.1323","0.1357","","","","","","1.122","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209998","6.875","0.0011","6.9872","0.0011","30.188","0.005","90","","90","","90","","1450.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonium benzoate","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0552","0.0428","","","0.0863","0.0916","","","","","","1.094","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209999","29.234","0.01","3.8543","0.0013","11.408","0.004","90","","94.455","0.005","90","","1281.5","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ammonium hydrogen bis(benzoate)","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0928","0.0616","","","0.1381","0.1545","","","","","","1.08","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210000","5.8207","0.0011","14.46","0.003","22.09","0.004","90","","97.084","0.003","90","","1845.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sodium dihydrogen tris(benzoate)","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0634","0.0437","","","0.1055","0.1159","","","","","","1.031","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210001","10.0863","0.0005","10.9647","0.0004","18.8209","0.0009","90","","92.043","0.004","90","","2080.14","0.16","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C88 H64 Br8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Halogen bonding synthon crossover in conformational polymorphism","CrystEngComm","2013","15","29","5813","","10.1039/c3ce40600h","","","0.71073","MoKα","","0.0831","0.0591","","","0.1117","0.1196","","","","","","1.153","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210002","3.8163","0.0006","22.85","0.003","11.918","0.002","90","","92.724","0.013","90","","1038.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C44 H32 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Halogen bonding synthon crossover in conformational polymorphism","CrystEngComm","2013","15","29","5813","","10.1039/c3ce40600h","","","0.71073","MoKα","","0.0558","0.0486","","","0.1216","0.1265","","","","","","1.09","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7210003","12.568","0.0003","13.59","0.0004","25.68","0.0008","80.498","0.003","76.872","0.002","76.607","0.002","4125.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H109 Mo8 N36 O44 Zn4 -","- C120 H82 Mo8 N36 O44.5 Zn4 -","- C120 H82 Mo8 N36 O44.5 Zn4 -","1","0.5","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71069","MoKα","","0.0961","0.0719","","","0.1964","0.2163","","","","","","1.074","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210004","16.994","0.0003","18.914","0.0004","18.948","0.0008","108.314","0.003","106.718","0.002","109.066","0.002","4920.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H122 Mo16 N36 O81 S Zn6 -","- C120 H60 Mo16 N36 O81 S Zn6 -","- C120 H60 Mo16 N36 O81 S Zn6 -","1","0.5","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71069","MoKα","","0.0962","0.0716","","","0.1976","0.2232","","","","","","1.044","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210005","16.4725","0.0007","18.9713","0.0004","19.232","0.0005","108.409","0.002","108.935","0.003","106.424","0.003","4871.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H61 Cd2 Mo8 N18 O38.5 -","- C60 H34 Cd2 Mo8 N18 O38.5 -","- C120 H68 Cd4 Mo16 N36 O77 -","2","1","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71073","MoKα","","0.0957","0.0637","","","0.1592","0.1894","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210006","16.1814","0.0015","10.4831","0.0009","18.8326","0.0016","90","","90","","90","","3194.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H24 N2 O5 -","- C13 H24 N2 O5 -","- C104 H192 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0688","0.0452","","","0.1045","0.1142","","","","","","1.271","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210007","9.4323","0.001","19.848","0.002","20.122","0.002","90","","90","","90","","3767.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C144 H208 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0778","0.0562","","","0.127","0.137","","","","","","1.163","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210008","10.864","0.003","11.56","0.003","31.828","0.009","90.032","0.005","90.091","0.005","91.966","0.004","3994.9","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N2 O6 -","- C18 H26 N2 O6 -","- C144 H208 N16 O48 -","8","4","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.1623","0.1255","","","0.3577","0.3793","","","","","","1.138","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210009","9.5387","0.0015","23.208","0.004","7.4056","0.0012","90","","90","","90","","1639.4","0.5","150","1","150","1","","","","","","","see text","3","P c c n","-P 2ab 2ac","56","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0441","0.0302","","","0.077","0.0811","","","","","","1.043","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210010","5.2422","0.0003","7.156","0.0004","13.2155","0.0007","93.426","0.004","98.645","0.004","109.868","0.005","457.66","0.05","150","1","150","1","","","","","","","see text","4","P -1","-P 1","2","","hexa-2,4-diyne-1,6-diyl bis(2,4,6-trifluorophenylcarbonate)","","- C20 H8 F6 O6 -","- C20 H8 F6 O6 -","- C20 H8 F6 O6 -","1","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0317","0.0285","","","0.0729","0.0747","","","","","","1.028","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210011","20.8305","0.0012","3.9051","0.0003","22.4954","0.0012","90","","110.433","0.007","90","","1714.8","0.2","150","1","150","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","hexa-2,4-diyne-1,6-diyl bis(3-fluorophenylcarbonate)","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","1","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0448","0.0364","","","0.097","0.1032","","","","","","1.053","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210012","22.665","0.005","9.956","0.005","7.442","0.005","90","","90","","90","","1679.3","1.5","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(2-fluorophenylcarbonate)","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0503","0.0367","","","0.0919","0.1004","","","","","","1.061","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210013","9.6359","0.0009","23.748","0.002","7.268","0.0006","90","","90","","90","","1663.2","0.3","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(4-fluorophenylcarbonate)'","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0508","0.0371","","","0.1015","0.1092","","","","","","1.049","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210014","14.8152","0.0019","9.6353","0.0018","7.0405","0.0009","90","","93.194","0.011","90","","1003.5","0.3","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C12 H18 N18 O6 -","- C12 H18 N18 O6 -","- C24 H36 N36 O12 -","2","0.25","","Prior, Timothy J.; Armstrong, Jennifer A.; Benoit, David M.; Marshall, Kayleigh L.","The structure of the melamine‒cyanuric acid co-crystal","CrystEngComm","2013","15","29","5838","","10.1039/c3ce40709h","","","0.71073","MoKα","","0.0727","0.0353","","","0.0898","0.1047","","","","","","0.957","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210015","7.007","0.0014","11.224","0.002","16.95","0.003","90","","91.95","0.03","90","","1332.3","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0879","0.0776","","","0.1913","0.2","","","","","","1.2","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210016","6.8143","0.0014","22.419","0.005","8.8759","0.0018","90","","101.85","0.03","90","","1327.1","0.5","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","2","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0565","0.053","","","0.1358","0.1402","","","","","","1.052","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210017","7.8906","0.0016","8.703","0.0017","12.517","0.003","90","","97.84","0.03","90","","851.5","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0526","0.0502","","","0.1207","0.1229","","","","","","1.153","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210018","3.7036","0.0007","7.8401","0.0016","29.573","0.006","90","","90.63","0.03","90","","858.6","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0749","0.0671","","","0.1879","0.2067","","","","","","1.164","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210019","5.0595","0.001","17.246","0.003","19.056","0.004","90","","97.25","0.03","90","","1649.5","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N5 O6 -","- C16 H17 N5 O6 -","- C64 H68 N20 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0602","0.0589","","","0.1548","0.1595","","","","","","1.184","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210020","5.1175","0.001","17.467","0.004","18.763","0.004","90","","96.71","0.03","90","","1665.7","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N5 O6 -","- C16 H19 N5 O6 -","- C64 H76 N20 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0474","0.0461","","","0.1217","0.1231","","","","","","1.082","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210021","5.569","0.002","24.721","0.01","13.606","0.006","90","","101.183","0.005","90","","1837.6","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br N O S -","- C21 H18 Br N O S -","- C84 H72 Br4 N4 O4 S4 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.1003","0.0703","","","0.1894","0.2097","","","","","","1.027","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210022","19.1534","0.001","10.4617","0.0005","12.4228","0.0006","90","","104.23","0.002","90","","2412.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.0935","0.0517","","","0.1301","0.1553","","","","","","0.993","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210023","16.0558","0.0004","13.068","0.0004","11.5754","0.0004","90","","122.419","0.002","90","","2050.2","0.12","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H23 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.0642","0.0554","","","0.1694","0.1855","","","","","","0.839","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210024","8.2221","0.0001","11.5994","0.0002","31.6633","0.0004","90","","90","","90","","3019.77","0.07","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H7 Ag F7 N3 O3 -","- C13 H7 Ag F7 N3 O3 -","- C104 H56 Ag8 F56 N24 O24 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0444","0.0286","","","0.0693","0.0743","","","","","","1.07","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210025","25.2591","0.0008","10.5671","0.0003","15.034","0.0005","90","","103.597","0.0018","90","","3900.3","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Ag F7 N3 O5 S -","- C14 H13 Ag F7 N3 O5 S -","- C112 H104 Ag8 F56 N24 O40 S8 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0455","0.0342","","","0.0869","0.095","","","","","","1.061","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210026","7.3177","0.0001","12.7615","0.0001","29.9513","0.0004","90","","90","","90","","2797","0.06","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Ag Cl F4 N3 O5 -","- C11 H7 Ag Cl F4 N3 O5 -","- C88 H56 Ag8 Cl8 F32 N24 O40 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0209","0.0187","","","0.0457","0.0466","","","","","","1.094","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210027","18.417","0.007","6.399","0.0008","11.262","0.004","90","","95.79","0.03","90","","1320.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Ag F4 N4 O4 -","- C11 H7 Ag F4 N4 O4 -","- C44 H28 Ag4 F16 N16 O16 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0285","0.0233","","","0.0567","0.0597","","","","","","1.047","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210028","7.4891","0.0019","13.333","0.002","51.316","0.008","90","","90","","90","","5124","1.7","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H10 F4 N4 -","- C12 H10 F4 N4 -","- C192 H160 F64 N64 -","16","0.5","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0617","0.0416","","","0.0968","0.1067","","","","","","1.109","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210029","28.875","0.008","6.4421","0.0002","20.64","0.004","90","","121.264","0.012","90","","3281.8","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag F7 N4 O2 -","- C14 H10 Ag F7 N4 O2 -","- C112 H80 Ag8 F56 N32 O16 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0613","0.0384","","","0.0794","0.0903","","","","","","1.031","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210030","13.6509","0.0005","10.3996","0.0003","15.5497","0.0006","90","","110.888","0.0019","90","","2062.42","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Ag F7 N4 O4 S -","- C15 H16 Ag F7 N4 O4 S -","- C60 H64 Ag4 F28 N16 O16 S4 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0501","0.0317","","","0.0715","0.0774","","","","","","1.013","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210031","6.4222","0.0001","16.1283","0.0003","14.7568","0.0003","90","","101.449","0.0013","90","","1498.08","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag Cl F4 N4 O4 -","- C12 H10 Ag Cl F4 N4 O4 -","- C48 H40 Ag4 Cl4 F16 N16 O16 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0505","0.0315","","","0.0667","0.0718","","","","","","1.018","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210032","6.3287","0.0001","25.1946","0.0008","9.113","0.0003","90","","100.591","0.0017","90","","1428.3","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag F4 N5 O3 -","- C12 H10 Ag F4 N5 O3 -","- C48 H40 Ag4 F16 N20 O12 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0389","0.0267","","","0.0564","0.0597","","","","","","1.086","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210033","7.8308","0.0003","31.6394","0.0014","12.6258","0.0005","90","","102.043","0.003","90","","3059.3","0.2","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ag F4 N5 O3 -","- C12 H10 Ag F4 N5 O3 -","- C96 H80 Ag8 F32 N40 O24 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0613","0.0336","","","0.0792","0.0876","","","","","","0.992","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210034","12.643","0.003","6.0744","0.0016","31.164","0.009","90","","101.399","0.005","90","","2346.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F N O4 -","- C29 H24 F N O4 -","- C116 H96 F4 N4 O16 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0687","0.0411","","","0.0985","0.1136","","","","","","1.017","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210035","10.01","0.002","6.179","0.0013","12.767","0.003","90","","107.203","0.003","90","","754.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C36 H32 F2 N2 O4 -","2","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0388","0.0374","","","0.0915","0.0927","","","","","","1.059","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210036","12.742","0.003","6.0989","0.0013","30.926","0.007","90","","101.313","0.003","90","","2356.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F N O4 -","- C29 H24 F N O4 -","- C116 H96 F4 N4 O16 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0558","0.0479","","","0.1341","0.1409","","","","","","1.09","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210037","6.3741","0.0012","8.417","0.0015","27.401","0.005","90","","90","","90","","1470.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C72 H64 F4 N4 O8 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0438","0.0407","","","0.1081","0.1101","","","","","","1.082","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210038","13.5941","0.0012","14.3621","0.0012","14.2561","0.0012","90","","96.141","0.002","90","","2767.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Bpene","","","- C24 H25 N7 Ni2 O3 S -","- C21 H18.5 N6.5 Ni2 O2.99 S -","- C84 H74 N26 Ni8 O11.96 S4 -","4","1","","Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.","Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4]","CrystEngComm","2013","15","23","4684","","10.1039/c3ce00017f","","","0.41328","","","0.1485","0.0448","","","0.0951","0.1064","","","","","","0.928","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210039","10.2891","0.0012","28.065","0.003","7.9247","0.0009","90","","90.885","0.002","90","","2288.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole hydrochloride salt","Aripiprazole hydrochloride salt","","- C23 H28 Cl3 N3 O2 -","- C23 H28 Cl3 N3 O2 -","- C92 H112 Cl12 N12 O8 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0756","0.0627","","","0.142","0.1504","","","","","","1.101","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210040","14.9688","0.001","9.9536","0.0006","20.9154","0.0014","90","","108.004","0.001","90","","2963.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole benzoate monohydrate","Aripiprazole benzoate monohydrate","","- C30 H35 Cl2 N3 O5 -","- C30 H35 Cl2 N3 O5 -","- C120 H140 Cl8 N12 O20 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0433","0.0372","","","0.1015","0.1079","","","","","","1.031","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210041","15.1552","0.0008","9.5732","0.0005","21.5283","0.0011","90","","103.887","0.001","90","","3032.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole-2,4-dihydoxybenzoate","Aripiprazole-2,4-dihydoxybenzoate","","- C30 H33 Cl2 N3 O6 -","- C30 H33 Cl2 N3 O6 -","- C120 H132 Cl8 N12 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0581","0.0524","","","0.1613","0.1682","","","","","","1.053","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210042","30.4165","0.0019","9.7801","0.0006","20.5636","0.0013","90","","105.319","0.001","90","","5899.8","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole-2,5-dihydroxybenzoate hemihydrate","Aripiprazole-2,5-dihydroxybenzoate hemihydrate","","- C30 H34 Cl2 N3 O6.5 -","- C30 H34 Cl2 N3 O6.5 -","- C240 H272 Cl16 N24 O52 -","8","2","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.075","0.06","","","0.1514","0.1651","","","","","","1.056","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210043","14.4399","0.0008","14.5184","0.0008","15.3895","0.001","97.541","0.005","112.786","0.006","107.054","0.005","2731.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cu4 N20 O31 -","- C40 H26 Cu4 N20 O31 -","- C80 H52 Cu8 N40 O62 -","2","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0552","0.0322","","","0.0687","0.0714","","","","","","0.862","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210044","15.7724","0.0003","21.0412","0.0005","16.7687","0.0005","90","","96.915","0.002","90","","5524.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 Cu4 N20 O29 -","- C42 H28 Cu4 N20 O29 -","- C168 H112 Cu16 N80 O116 -","4","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0933","0.0425","","","0.0591","0.0618","","","","","","1.011","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210045","16.836","0.0004","21.2727","0.0004","15.8167","0.0004","90","","90","","90","","5664.7","0.2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H18 Cu2 N10 O15 -","- C22 H18 Cu2 N10 O15 -","- C176 H144 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0569","0.0298","","","0.0593","0.0623","","","","","","0.823","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210046","16.2118","0.0004","16.2381","0.0003","22.4507","0.0005","90","","90","","90","","5910.1","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H20 Cu2 N10 O15 -","- C23 H20 Cu2 N10 O15 -","- C184 H160 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0668","0.0338","","","0.0533","0.055","","","","","","0.989","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210047","23.5968","0.0008","20.9087","0.001","14.5568","0.0004","90","","98.621","0.003","90","","7100.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Cu5 N20 O34 -","- C46 H40 Cu5 N20 O34.04 -","- C184 H160 Cu20 N80 O136.16 -","4","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.09","0.0552","","","0.1438","0.1678","","","","","","1.021","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210048","14.3577","0.0003","14.3577","0.0003","41.3854","0.0019","90","","90","","90","","8531.3","0.5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H18 Cu N8 O7 -","- C17 H10 Cu N8 O7 -","- C272 H160 Cu16 N128 O112 -","16","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.1146","0.0885","","","0.1858","0.1996","","","","","","1.137","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210049","13.9645","0.0001","13.9645","0.0001","35.2304","0.0005","90","","90","","90","","6870.18","0.12","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H28 Cu2 N10 O14 -","- C28 H28 Cu2 N10 O14 -","- C224 H224 Cu16 N80 O112 -","8","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","1.54184","CuKα","","0.073","0.0603","","","0.1571","0.1712","","","","","","0.981","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210050","5.0173","0.0002","19.7139","0.0007","21.1911","0.0007","90","","90.675","0.003","90","","2095.88","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cu N8 O7.5 -","- C19 H14 Cu N8 O7.5 -","- C76 H56 Cu4 N32 O30 -","4","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0583","0.0403","","","0.0831","0.0896","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210051","4.8279","0.0002","10.5174","0.0004","13.4622","0.0004","103.093","0.003","98.068","0.003","92.034","0.003","657.6","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cd2 N10 O16 -","- C20 H16 Cd2 N10 O16 -","- C20 H16 Cd2 N10 O16 -","1","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0178","0.0166","","","0.0403","0.0405","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210052","11.9076","0.0004","11.9605","0.0004","12.866","0.0004","93.78","0.003","90.696","0.003","110.675","0.003","1709.42","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 Cd2 N22 O14 -","- C56 H73.036 Cd2 N22 O14 -","- C56 H73.036 Cd2 N22 O14 -","1","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0498","0.0349","","","0.0747","0.0771","","","","","","0.92","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210053","13.616","0.0002","13.616","0.0002","42.9496","0.0015","90","","90","","90","","7962.7","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H56 Cd4 N32 O32 -","- C60 H56 Cd4 N32 O32 -","- C240 H224 Cd16 N128 O128 -","4","0.25","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0731","0.0567","","","0.1425","0.1475","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210054","8.9442","0.0018","9.2624","0.0019","16.481","0.003","94.62","0.03","97.63","0.03","104.75","0.03","1299.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H64 Cl2 Co4 O57 Ru4 -","- C8 H64 Cl2 Co4 O57 Ru4 -","- C8 H64 Cl2 Co4 O57 Ru4 -","1","0.5","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Xue, Gang-Lin","Layer structural bimetallic metamagnets obtained from the aggregation of Ru2(CO3)43− and Co2+ in existence of halogen","CrystEngComm","2013","15","21","4280","","10.1039/c3ce00071k","","","0.71073","MoKα","","0.0773","0.0691","","","0.1807","0.1866","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210055","15.064","0.003","16.143","0.003","10.759","0.002","90","","100.26","0.03","90","","2574.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H72 Br4 Co8 O106 Ru8 -","- C16 H72 Br4 Co8 O106 Ru8 -","- C16 H72 Br4 Co8 O106 Ru8 -","1","0.125","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Xue, Gang-Lin","Layer structural bimetallic metamagnets obtained from the aggregation of Ru2(CO3)43− and Co2+ in existence of halogen","CrystEngComm","2013","15","21","4280","","10.1039/c3ce00071k","","","0.71073","MoKα","","0.0696","0.0513","","","0.1145","0.1227","","","","","","1.083","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210056","14.1443","0.0015","14.3491","0.0015","15.0776","0.0016","109.334","0.005","105.904","0.005","99.933","0.005","2657.6","0.5","210","2","210","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H32 F8 I4 N4 -","- C58 H32 F8 I4 N4 -","- C116 H64 F16 I8 N8 -","2","2","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.1804","0.0874","","","0.1678","0.2062","","","","","","1.047","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7210057","14.4076","0.0015","16.0078","0.0017","22.228","0.003","90","","93.266","0.005","90","","5118.2","1","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H32 F8 I4 N4 -","- C58 H32 F8 I4 N4 -","- C232 H128 F32 I16 N16 -","4","1","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.0512","0.0341","","","0.0708","0.0779","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210058","13.137","0.0014","9.4089","0.001","34.762","0.004","90","","91.436","0.005","90","","4295.4","0.8","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 F4 I2 N4 -","- C52 H32 F4 I2 N4 -","- C208 H128 F16 I8 N16 -","4","1","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.0551","0.0431","","","0.1141","0.1236","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210059","14.8991","0.0011","16.8272","0.0012","22.2685","0.0017","73.868","0.004","74.7","0.004","66.883","0.003","4856.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H147 Mn Mo6 N10 O26 -","- C72 H147 Mn Mo6 N9.65 O26 -","- C144 H294 Mn2 Mo12 N19.3 O52 -","2","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0385","0.0287","","","0.0677","0.075","","","","","","1.046","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210060","18.0293","0.0007","20.8575","0.0008","26.7597","0.0011","90","","90","","90","","10062.9","0.7","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C79 H153 Mn Mo6 N8 O29 -","- C69.3 H128.5 Mn Mo6 N7.1 O28.4 -","- C277.2 H514 Mn4 Mo24 N28.4 O113.6 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1592","0.0823","","","0.1817","0.2247","","","","","","1.056","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210061","28.3641","0.0005","23.7876","0.0005","15.0216","0.0003","90","","90","","90","","10135.3","0.3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C68 H138 Mn Mo6 N7 O30 -","- C68 H136 Mn Mo6 N7 O30 -","- C272 H544 Mn4 Mo24 N28 O120 -","4","0.5","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0673","0.0482","","","0.1211","0.1302","","","","","","1.065","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210062","14.9246","0.0008","17.3492","0.001","20.5931","0.0011","77.925","0.004","78.223","0.003","74.076","0.003","4952.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H151 Mn Mo6 N10 O30 -","- C76 H133 Mn Mo6 N10 O30 -","- C152 H266 Mn2 Mo12 N20 O60 -","2","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1347","0.0831","","","0.1661","0.1891","","","","","","1.095","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210063","17.8569","0.0002","27.1013","0.0003","21.2905","0.0002","90","","90.111","0.001","90","","10303.4","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H161 Mn Mo6 N8 O33 -","- C75.2 H156.6 Mn Mo6 N7.5 O32.5 -","- C300.8 H626.4 Mn4 Mo24 N30 O130 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0553","0.0375","","","0.0891","0.0998","","","","","","1.037","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210064","17.24","0.0006","27.204","0.0011","20.4735","0.0008","90","","91.794","0.002","90","","9597.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H146 Mn Mo6 N7 O30 -","- C72 H146 Mn Mo6 N7 O30 -","- C288 H584 Mn4 Mo24 N28 O120 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.127","0.0551","","","0.0985","0.1263","","","","","","1.006","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210065","23.8498","0.0006","14.573","0.0003","15.4775","0.0004","90","","90","","90","","5379.4","0.2","150","2","150","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C78 H146 Mn Mo6 N7 O32 -","- C57 H14 Mn Mo6 N6.6 O32 -","- C114 H28 Mn2 Mo12 N13.2 O64 -","2","0.25","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0812","0.0672","","","0.2065","0.2248","","","","","","1.086","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210066","23.5808","0.0003","24.7645","0.0003","29.9716","0.0004","100.967","0.002","103.918","0.002","93.897","0.002","16559.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C143 H219 Mn Mo6 N10 O37 -","- C138.5 H201.1 Mn Mo6 N8.6 O36.65 -","- C554 H804.4 Mn4 Mo24 N34.4 O146.6 -","4","2","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1114","0.0497","","","0.1622","0.1866","","","","","","0.986","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210067","7.1512","0.00005","7.1512","0.00005","11.963","0.00011","90","","90","","120","","529.82","0.007","120","0.1","120","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0118","0.0111","","","0.0282","0.0283","","","","","","1.418","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210068","7.1641","0.00017","7.1641","0.00017","12.0317","0.0003","90","","90","","120","","534.79","0.02","150","0.1","150","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0212","0.0198","","","0.0516","0.0523","","","","","","1.205","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210069","7.17619","0.00014","7.17619","0.00014","12.1229","0.0003","90","","90","","120","","540.66","0.02","200","0.1","200","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0186","0.0167","","","0.0441","0.0447","","","","","","1.259","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210070","7.18791","0.00013","7.18791","0.00013","12.229","0.0003","90","","90","","120","","547.176","0.019","250","0.1","250","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0185","0.0155","","","0.0395","0.0404","","","","","","1.257","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210071","7.19508","0.00011","7.19508","0.00011","12.2986","0.0003","90","","90","","120","","551.388","0.018","280","0.1","280","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0192","0.0161","","","0.0421","0.043","","","","","","1.195","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210072","7.20163","0.00011","7.20163","0.00011","12.3501","0.0003","90","","90","","120","","554.706","0.018","300","0.1","300","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0203","0.0169","","","0.0407","0.0416","","","","","","1.186","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210073","7.20634","0.00014","7.20634","0.00014","12.402","0.0004","90","","90","","120","","557.77","0.02","320","0.1","320","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0228","0.0187","","","0.0431","0.0443","","","","","","1.219","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210074","7.21109","0.00019","7.21109","0.00019","12.461","0.0005","90","","90","","120","","561.16","0.03","340","0.1","340","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0254","0.0206","","","0.0479","0.0493","","","","","","1.183","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210075","5.23783","0.00009","7.54922","0.00014","6.98292","0.00013","90","","96.7315","0.0017","90","","274.212","0.009","360","0.1","360","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C2 H12 I2 N6 -","2","0.5","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0259","0.0232","","","0.0563","0.0583","","","","","","1.089","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210076","9.189","0.003","16.271","0.006","19.01","0.007","114.021","0.005","98.024","0.005","94.551","0.006","2541.4","1.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 N10 O12 S4 -","- C46 H54 N10 O12 S4 -","- C92 H108 N20 O24 S8 -","2","1","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1457","0.0892","","","0.1754","0.1987","","","","","","1.128","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210077","12.501","0.006","19.167","0.009","16.971","0.006","90","","120.12","0.02","90","","3517","3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H102 N12 O12 S -","- C70 H102 N12 O12 S -","- C140 H204 N24 O24 S2 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1885","0.1266","","","0.2498","0.2759","","","","","","1.196","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210078","9.538","0.012","13.957","0.017","22","0.03","94.69","0.015","100.617","0.017","99.018","0.016","2824","6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","1","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1487","0.079","","","0.1506","0.1768","","","","","","1.122","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210079","27.889","0.004","16.427","0.002","24.753","0.003","90","","98.54","0.002","90","","11214","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","- C408 H696 N56 O64 S8 -","4","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1931","0.104","","","0.1741","0.199","","","","","","1.002","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210080","12.43","0.005","14.615","0.006","21.187","0.009","90","","97.784","0.006","90","","3813","3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H108 N12 O12 -","- C74 H98 N12 O12 -","- C148 H196 N24 O24 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1552","0.0827","","","0.165","0.1952","","","","","","1.044","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210081","8.627","0.003","35.844","0.011","13.66","0.004","90","","102.017","0.004","90","","4131","2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H112 N12 O12 -","- C84 H112 N12 O12 -","- C168 H224 N24 O24 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1293","0.0837","","","0.1944","0.2225","","","","","","1.063","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210082","23.764","0.005","17.225","0.004","20.791","0.005","90","","113.214","0.003","90","","7821","3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H106 N12 O12 -","- C78 H106 N12 O12 -","- C312 H424 N48 O48 -","4","1","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.2458","0.1378","","","0.1693","0.1925","","","","","","1.172","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210083","41.951","0.007","8.8842","0.0015","19.048","0.003","90","","99.546","0.002","90","","7001","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H102 Cl2 N12 O8 -","- C70 H102 Cl2 N12 O8 -","- C280 H408 Cl8 N48 O32 -","4","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.0616","0.054","","","0.1511","0.16","","","","","","1.033","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210084","8.9484","0.0019","9.473","0.002","21.594","0.005","83.826","0.003","84.847","0.002","80.815","0.003","1791.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H102 Br2 N12 O8 -","- C70 H102 Br2 N12 O8 -","- C70 H102 Br2 N12 O8 -","1","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.0606","0.0479","","","0.1412","0.1615","","","","","","1.13","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210085","17.8097","0.0008","7.9282","0.0004","25.8018","0.0009","90","","119.499","0.002","90","","3170.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 N10 O6 -","- C31 H38 N10 O6 -","- C124 H152 N40 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Sawant, Kamlesh D.; Naik, Tushar A.; Patkar, Laxmikant N.; Cherukuvada, Suryanarayan; Sreedhar, Bojja","Polymorphism in metformin embonate salt ‒ recurrence of dimeric and tetrameric guanidinium‒carboxylate synthons","CrystEngComm","2013","15","22","4448","","10.1039/c3ce26986h","","","0.71073","MoKα","","0.0653","0.0439","","","0.1171","0.1364","","","","","","1.046","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210086","7.468","0.0006","13.8016","0.0011","16.2856","0.0013","73.334","0.001","83.171","0.001","82.666","0.001","1588.9","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H38 N10 O6 -","- C31 H38 N10 O6 -","- C62 H76 N20 O12 -","2","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Sawant, Kamlesh D.; Naik, Tushar A.; Patkar, Laxmikant N.; Cherukuvada, Suryanarayan; Sreedhar, Bojja","Polymorphism in metformin embonate salt ‒ recurrence of dimeric and tetrameric guanidinium‒carboxylate synthons","CrystEngComm","2013","15","22","4448","","10.1039/c3ce26986h","","","0.71073","MoKα","","0.0405","0.0363","","","0.104","0.1083","","","","","","1.04","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210087","11.399","0.0004","15.5354","0.0005","9.2351","0.0003","90","","109.568","0.004","90","","1540.97","0.1","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","","","0.71073","MoKα","","0.0802","0.044","","0.1142","0.0885","0.1136","","","","","","0.97","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210088","10.353","0.0003","12.3146","0.0003","9.4233","0.0002","90","","90","","90","","1201.41","0.05","173.1","","173.1","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","0.5","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","","","0.71073","","","0.054","0.0395","","0.1093","0.0947","0.1093","","","","","","0.9727","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210089","4.537803","","19.75839","","19.85653","","90","","95.3888","","90","","1772.46","","","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N4 O -","- C20 H16 N4 O -","- C80 H64 N16 O4 -","4","2","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","powder diffraction","","1.541","X-rays","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7210090","29.5404","0.0012","29.5404","0.0012","14.9218","0.0012","90","","90","","120","","11276.8","1.1","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Ce N2 Na0.33 O10 -","- C50 H32 Ce N2 Na0.333333 O10 -","- C450 H288 Ce9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0412","0.0332","","","0.0984","0.1073","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210091","22.264","0.012","28.623","0.016","29.104","0.015","90","","90","","90","","18547","17","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H14 Eu N3 O7 -","- C24 H14 Eu N3 O7 -","- C768 H448 Eu32 N96 O224 -","32","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0459","0.0359","","","0.1287","0.1336","","","","","","0.996","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210092","29.6966","0.0013","29.6966","0.0013","14.9618","0.0012","90","","90","","120","","11426.9","1.2","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Gd N2 Na0.33 O10 -","- C50 H32 Gd N2 Na0.333333 O10 -","- C450 H288 Gd9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.1196","0.0732","","","0.2235","0.2671","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210093","29.5657","0.0012","29.5657","0.0012","14.8222","0.0011","90","","90","","120","","11220.7","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 N2 Na0.33 O10 Pr -","- C50 H30.66 N2 Na0.333333 O10 Pr -","- C450 H275.94 N18 Na3 O90 Pr9 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0422","0.036","","","0.1006","0.1058","","","","","","1","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210094","22.304","0.003","28.721","0.004","29.158","0.004","90","","90","","90","","18678","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H14 N3 O7 Sm -","- C24 H12 N3 O7 Sm -","- C768 H384 N96 O224 Sm32 -","32","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0512","0.0403","","","0.1308","0.1373","","","","","","0.997","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210095","6.1029","0.001","21.056","0.003","6.3665","0.0009","90","","100.526","0.016","90","","804.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Ni O2 S4 -","- C12 H18 Ni O2 S4 -","- C24 H36 Ni2 O4 S8 -","2","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1005","0.0626","","","0.1343","0.166","","","","","","1.01","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210096","6.1216","0.0011","10.3788","0.0016","10.7918","0.0009","78.834","0.011","76.312","0.012","83.671","0.013","652.08","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 N4 Ni O2 S4 -","- C24 H22 N4 Ni O2 S4 -","- C24 H22 N4 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.0897","0.0575","","","0.1549","0.1758","","","","","","0.968","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210097","6.2494","0.0004","6.9702","0.0005","15.3641","0.0013","80.996","0.006","82.99","0.006","89.46","0.005","656.03","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 N2 Ni O2 S4 -","- C26 H24 N2 Ni O2 S4 -","- C26 H24 N2 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.0877","0.0569","","","0.1374","0.1526","","","","","","0.997","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210098","17.2196","0.0009","5.8144","0.0003","13.3549","0.0006","90","","98.728","0.005","90","","1321.63","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Ni O2 S4 -","- C30 H22 Ni O2 S4 -","- C60 H44 Ni2 O4 S8 -","2","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.109","0.0586","","","0.1199","0.1413","","","","","","1.004","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210099","6.414","0.0006","7.9477","0.0008","14.5825","0.0013","98.677","0.008","97.771","0.008","106.057","0.009","693.83","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 N2 Ni O2 S4 -","- C26 H32 N2 Ni O2 S4 -","- C26 H32 N2 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1713","0.0669","","","0.0965","0.1239","","","","","","0.903","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210100","6.4456","0.0014","10.11","0.002","11.407","0.003","76","0.019","80.634","0.019","73.41","0.02","687.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Ni S4 -","- C28 H26 N4 Ni S4 -","- C28 H26 N4 Ni S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1379","0.0867","","","0.2541","0.2835","","","","","","1.132","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210101","15.916","0.003","19.127","0.004","8.2011","0.0016","90","","90","","90","","2496.6","0.9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H8 Cd N10 O2 -","- C6 H8 Cd N10 O2 -","- C48 H64 Cd8 N80 O16 -","8","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0199","0.0196","","","0.0476","0.0481","","","","","","1.154","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210102","17.665","0.003","10.105","0.002","7.1333","0.0014","90","","91.73","0.03","90","","1272.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N10 O3 Zn -","- C6 H8 N10 O3 Zn -","- C24 H32 N40 O12 Zn4 -","4","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0321","0.0309","","","0.0787","0.0794","","","","","","1.138","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210103","7.0989","0.0014","9.0946","0.0018","8.1688","0.0016","90","","102.65","0.03","90","","514.59","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cu N10 O2 -","- C6 H8 Cu N10 O2 -","- C12 H16 Cu2 N20 O4 -","2","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0377","0.0352","","","0.0838","0.0851","","","","","","1.156","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210104","9.3707","0.0019","12.181","0.002","9.1857","0.0018","90","","90","","90","","1048.5","0.3","113","2","113","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C6 H8 Mn N10 O2 -","- C6 H8 Mn N10 O2 -","- C24 H32 Mn4 N40 O8 -","4","","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0731","0.0705","","","0.1862","0.1888","","","","","","1.303","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210105","9.4928","0.0019","18.587","0.004","8.9107","0.0018","90","","115.98","0.03","90","","1413.3","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Cd N10 O2 -","- C8 H12 Cd N10 O2 -","- C32 H48 Cd4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0231","0.0228","","","0.048","0.0481","","","","","","1.035","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210106","9.811","0.002","18.035","0.004","8.8072","0.0018","90","","117.44","0.03","90","","1383","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Mn N10 O2 -","- C8 H12 Mn N10 O2 -","- C32 H48 Mn4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.079","0.0747","","","0.1766","0.1809","","","","","","1.129","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210107","22.1366","0.0006","10.4274","0.0003","10.7186","0.0003","90","","90","","90","","2474.14","0.12","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C96 H112 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.054","0.039","","","0.085","0.092","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210108","10.057","0.003","17.51","0.004","14.102","0.004","90","","95.722","0.003","90","","2471","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N4 O2 -","- C12 H13 F N4 O2 -","- C96 H104 F8 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6911","synchrotron","","0.081","0.064","","","0.174","0.187","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210109","12.6207","0.0007","9.8187","0.0005","11.0587","0.0007","90","","105.846","0.003","90","","1318.31","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N4 O2 -","- C12 H13 Cl N4 O2 -","- C48 H52 Cl4 N16 O8 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.08","0.047","","","0.117","0.134","","","","","","1.03","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210110","12.7435","0.0003","9.9927","0.0002","11.115","0.0003","90","","105.305","0.0013","90","","1365.21","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br N4 O2 -","- C12 H13 Br N4 O2 -","- C48 H52 Br4 N16 O8 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.041","0.028","","","0.066","0.071","","","","","","1.02","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210111","11.033","0.002","10.411","0.002","24.957","0.005","90","","90","","90","","2866.7","1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H13 I N4 O2 -","- C12 H13 I N4 O2 -","- C96 H104 I8 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6893","synchrotron","","0.05","0.036","","","0.074","0.079","","","","","","1.01","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210112","8.965","0.004","9.911","0.004","15.067","0.007","90","","96.587","0.014","90","","1329.9","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71069","MoKα","","0.066","0.056","","","0.123","0.129","","","","","","1.17","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210113","10.1622","0.0019","17.127","0.003","15.487","0.003","90","","92.476","0.007","90","","2693","0.9","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C96 H104 N40 O32 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71069","MoKα","","0.088","0.07","","","0.15","0.159","","","","","","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210114","7.2818","0.0011","11.242","0.003","16.916","0.004","87.87","0.02","88.86","0.04","88.29","0.02","1383","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl2 N4 O2 -","- C12 H12 Cl2 N4 O2 -","- C48 H48 Cl8 N16 O8 -","4","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6893","Synchrotron","","0.059","0.051","","","0.131","0.136","","","","","","1.11","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210115","20.769","0.002","11.6795","0.0012","20.382","0.002","90","","105.572","0.001","90","","4762.6","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cd F3 N3 O5.5 -","- C24 H19 Cd F3 N3 O5.5 -","- C192 H152 Cd8 F24 N24 O44 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0469","0.0407","","","0.1053","0.1098","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210116","20.75","0.004","11.66","0.002","20.045","0.004","90","","105.057","0.002","90","","4683.3","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 Cd F3 N3 O4 -","- C24 H15 Cd F3 N3 O4 -","- C192 H120 Cd8 F24 N24 O32 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0594","0.0409","","","0.0925","0.1026","","","","","","1.029","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210117","27.5676","0.0009","27.5676","0.0009","14.3113","0.001","90","","90","","90","","10876.2","0.9","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 Co2 F6 N6 O10 -","- C57 H51 Co2 F6 N6 O10 -","- C456 H408 Co16 F48 N48 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0783","0.0465","","","0.0806","0.0877","","","","","","1.009","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210118","27.4279","0.0014","27.4279","0.0014","14.309","0.0019","90","","90","","90","","10764.5","1.6","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 F6 N6 Ni2 O10 -","- C57 H51 F6 N6 Ni2 O10 -","- C456 H408 F48 N48 Ni16 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.1227","0.0619","","","0.1161","0.1404","","","","","","1.031","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210119","13.023","0.016","10.525","0.013","14.555","0.019","90","","95.706","0.015","90","","1985","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cu F3 N2 O4 -","- C21 H15 Cu F3 N2 O4 -","- C84 H60 Cu4 F12 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.1948","0.0745","","","0.1424","0.1871","","","","","","1.005","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210120","13.567","0.003","11.779","0.002","11.206","0.002","90","","90","","90","","1790.8","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cu F4 N2 O4 -","- C20 H10 Cu F4 N2 O4 -","- C80 H40 Cu4 F16 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0413","0.0301","","","0.0563","0.0609","","","","","","1.049","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210121","14.162","0.003","13.601","0.003","10.898","0.002","90","","90","","90","","2099.1","0.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cl4 Cu N2 O4 -","- C20 H10 Cl4 Cu N2 O4 -","- C80 H40 Cl16 Cu4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0291","0.0239","","","0.054","0.0565","","","","","","1.029","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210122","11.302","0.005","11.733","0.005","19.506","0.005","105.608","0.005","101.952","0.005","98.351","0.005","2381.2","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 O20 Zn4 -","- C38 H48 N2 O20 Zn4 -","- C76 H96 N4 O40 Zn8 -","2","1","","Xu, Guohai; Lv, Jianyi; Guo, Peng; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Two ligand-length-tunable interpenetrating coordination networks with stable Zn2 unit as three-connected uninode and supramolecular topologies","CrystEngComm","2013","15","22","4473","","10.1039/c3ce40117k","","","0.71069","MoKα","","0.0889","0.0491","","","0.1211","0.1375","","","","","","0.907","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210123","29.662","0.001","11.265","0.005","21.545","0.002","90","","130.711","0.001","90","","5457","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N O9 Zn2 -","- C27 H26 N O9 Zn2 -","- C216 H208 N8 O72 Zn16 -","8","1","","Xu, Guohai; Lv, Jianyi; Guo, Peng; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Two ligand-length-tunable interpenetrating coordination networks with stable Zn2 unit as three-connected uninode and supramolecular topologies","CrystEngComm","2013","15","22","4473","","10.1039/c3ce40117k","","","0.71073","MoKα","","0.0415","0.0328","","","0.0891","0.0939","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210124","9.7785","0.0008","11.6587","0.0009","12.0337","0.0009","117.425","0.001","90.111","0.001","110.357","0.001","1119.78","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H50 Co Mo8 N4 O40 -","- C12 H20 Co Mo8 N4 O40 -","- C12 H20 Co Mo8 N4 O40 -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0359","0.0343","","","0.0969","0.0982","","","","","","1.125","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210125","11.8266","0.0008","13.3267","0.0009","15.1283","0.0007","90","","125.293","0.003","90","","1946.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Co2 Mo8 N2 O38 -","- C10 H18 Co2 Mo8 N2 O38 -","- C20 H36 Co4 Mo16 N4 O76 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0765","0.0745","","","0.2061","0.207","","","","","","1.374","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210126","11.4202","0.0003","12.6946","0.0003","15.3512","0.0004","90","","117.669","0.002","90","","1971.04","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Cu2 Mo8 N2 O38 -","- C10 H16 Cu2 Mo8 N2 O38 -","- C20 H32 Cu4 Mo16 N4 O76 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0417","0.041","","","0.1064","0.1067","","","","","","1.428","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210127","9.4918","0.0009","9.9627","0.0009","17.1173","0.0016","84.318","0.002","83.069","0.002","72.651","0.002","1530.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H66 Cu3 Mo8 N4 O51 -","- C12 H14 Cu3 Mo8 N4 O51 -","- C12 H14 Cu3 Mo8 N4 O51 -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.1105","0.1041","","","0.2077","0.2106","","","","","","1.301","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210128","11.8223","0.0008","13.3101","0.0009","15.1384","0.0008","90","","125.407","0.004","90","","1941.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Mo8 N2 O38 Zn2 -","- C10 H17 Mo8 N2 O38 Zn2 -","- C20 H34 Mo16 N4 O76 Zn4 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0847","0.0801","","","0.192","0.1935","","","","","","1.429","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210129","9.7735","0.0003","11.6942","0.0004","12.0719","0.0004","117.561","0.001","90.082","0.001","110.577","0.001","1122.53","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H50 Mo8 N4 O40 Zn -","- C12 H20 Mo8 N4 O40 Zn -","- C12 H20 Mo8 N4 O40 Zn -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0357","0.0343","","","0.0895","0.0903","","","","","","1.153","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210130","6.6796","0.0004","21.6754","0.0014","9.7556","0.0007","90","","94.919","0.002","90","","1407.24","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1012","0.041","","","0.1067","0.1347","","","","","","1.027","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210131","7.1644","0.0015","17.79","0.004","10.796","0.002","90","","96.59","0.005","90","","1366.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1505","0.062","","","0.1435","0.1871","","","","","","1.021","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210132","6.814","0.0003","18.4539","0.0009","10.2513","0.0005","90","","95.17","0.001","90","","1283.8","0.11","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.0508","0.0404","","","0.1125","0.1203","","","","","","1.086","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210133","20.0583","0.0004","7.1698","0.0001","20.374","0.0004","90","","113.15","0.001","90","","2694.13","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","1.54178","CuKα","","0.0858","0.0504","","","0.1305","0.1765","","","","","","1.114","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210134","6.8016","0.0006","12.5421","0.001","16.2644","0.0014","90","","93.012","0.002","90","","1385.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","0.5","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1183","0.0477","","","0.1177","0.1577","","","","","","1.067","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210135","6.7183","0.0002","18.3065","0.0004","31.5007","0.0008","90","","90","","90","","3874.23","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H21 Ge N3 O S6 Sb2 -","- C7 H21 Ge N3 O S6 Sb2 -","- C56 H168 Ge8 N24 O8 S48 Sb16 -","8","1","","Feng, Mei-Ling; Hu, Chun-Li; Wang, Kai-Yao; Du, Cheng-Feng; Huang, Xiao-Ying","[AEPH2][GeSb2S6]·CH3OH: a thiogermanate‒thioantimonate featuring an infinite ribbon-like structure with an unusual {GeSb3S11} unit and exhibiting the ability of photocatalytic degradation of organic dye","CrystEngComm","2013","15","25","5007","","10.1039/c3ce40143j","","","0.71073","MoKα","","0.0667","0.0384","","","0.06","0.0678","","","","","","1.015","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210136","8.4243","0.0014","12.227","0.002","13.193","0.002","96.96","0.002","93.427","0.002","101.28","0.002","1318","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O6 -","- C26 H32 N4 O6 -","- C52 H64 N8 O12 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0443","0.037","","","0.115","0.125","","","","","","0.878","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210137","9.2028","0.0009","11.529","0.0012","11.7206","0.0012","93.341","0.001","99.526","0.001","102.804","0.001","1190.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O4 -","- C26 H28 N4 O4 -","- C52 H56 N8 O8 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0413","0.0358","","","0.1322","0.1398","","","","","","1.181","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210138","6.5584","0.0005","40.426","0.003","7.1631","0.0005","90","","97.589","0.001","90","","1882.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O4 -","- C20 H23 N3 O4 -","- C80 H92 N12 O16 -","4","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.047","0.0411","","","0.1265","0.133","","","","","","0.878","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210139","8.835","0.003","10.724","0.003","15.174","0.004","91.638","0.004","100.515","0.004","106.191","0.004","1352.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N4 O5 -","- C30 H34 N4 O5 -","- C60 H68 N8 O10 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0715","0.0625","","","0.1653","0.1757","","","","","","1.053","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210140","11.241","0.002","9.006","0.0018","23.169","0.005","90","","94.8","0.03","90","","2337.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N4 O14 Sm -","- C18 H21 N4 O14 Sm -","- C72 H84 N16 O56 Sm4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0263","0.0231","","","0.0628","0.0644","","","","","","1.026","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210141","11.227","0.002","8.982","0.0018","23.119","0.005","90","","94.84","0.03","90","","2323","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Gd N4 O14 -","- C18 H21 Gd N4 O14 -","- C72 H84 Gd4 N16 O56 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.032","0.0274","","","0.0906","0.0962","","","","","","0.797","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210142","11.185","0.002","8.957","0.0018","23.074","0.005","90","","94.7","0.03","90","","2303.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N4 O14 Tb -","- C18 H21 N4 O14 Tb -","- C72 H84 N16 O56 Tb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0407","0.0339","","","0.1223","0.1314","","","","","","1.088","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210143","11.196","0.008","8.962","0.006","23.138","0.016","90","","94.772","0.008","90","","2314","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Dy N4 O14 -","- C18 H21 Dy N4 O14 -","- C72 H84 Dy4 N16 O56 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0417","0.0308","","","0.0695","0.0747","","","","","","0.972","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210144","6.5059","0.0006","9.8342","0.0008","10.9444","0.0009","99.882","0.007","106.505","0.007","106.19","0.007","620.36","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O9 Tb -","- C10 H10 N2 O9 Tb -","- C20 H20 N4 O18 Tb2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0279","0.0264","","","0.0689","0.0698","","","","","","1.05","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210145","6.482","0.002","9.848","0.003","10.907","0.004","100.004","0.003","106.484","0.003","106.293","0.003","616.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Ho N2 O9 -","- C10 H10 Ho N2 O9 -","- C20 H20 Ho2 N4 O18 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0221","0.0212","","","0.0609","0.0614","","","","","","1.117","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210146","6.733","0.002","7.45","0.003","12.049","0.004","87.684","0.004","77.44","0.004","80.434","0.003","581.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O8 Yb -","- C10 H8 N2 O8 Yb -","- C20 H16 N4 O16 Yb2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0207","0.0194","","","0.0483","0.0489","","","","","","1.063","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210147","7.501","0.007","9.435","0.009","9.706","0.009","117.238","0.01","93.257","0.011","99.498","0.011","595.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O8 Pr -","- C10 H8 N2 O8 Pr -","- C20 H16 N4 O16 Pr2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0359","0.0298","","","0.074","0.0782","","","","","","1.008","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210148","20.6997","0.0018","5.805","0.0006","30.904","0.003","90","","104.387","0.006","90","","3597","0.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 F N3 O2 S -","- C21 H14 F N3 O2 S -","- C168 H112 F8 N24 O16 S8 -","8","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0746","0.0508","","","0.1116","0.1224","","","","","","1.032","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210149","20.5635","0.0007","5.8117","0.0002","32.1855","0.0011","90","","106.079","0.002","90","","3696","0.2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 F2 N3 O2 S -","- C21 H13 F2 N3 O2 S -","- C168 H104 F16 N24 O16 S8 -","8","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0628","0.0416","","","0.097","0.1063","","","","","","1.027","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210150","8.2327","0.0016","8.8616","0.0017","13.577","0.003","87.741","0.012","85.797","0.01","73.758","0.01","948.2","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F N3 O2 S -","- C22 H16 F N3 O2 S -","- C44 H32 F2 N6 O4 S2 -","2","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0951","0.0488","","","0.1181","0.1412","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210151","8.4625","0.0004","8.7356","0.0004","13.4092","0.0006","86.664","0.003","82.318","0.003","74.281","0.003","945.39","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F N3 O3 S -","- C22 H16 F N3 O3 S -","- C44 H32 F2 N6 O6 S2 -","2","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0951","0.0488","","","0.0961","0.1104","","","","","","1.012","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210152","12.876","0.003","18.938","0.004","28.202","0.006","90","","90","","90","","6877","3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H72 Cl N16 O40 V15 Zn4 -","- C16 H64 Cl N16 O40 V15 Zn4 -","- C64 H256 Cl4 N64 O160 V60 Zn16 -","4","1","","Zhou, Jian; Liu, Xing; Hu, Feilong; Chen, Rong; Zou, Huahong; Fu, Wensheng; Liang, Guoming; Chen, Yi","A novel 3-D chiral polyoxovanadate architecture based on breaking high symmetry of spherical [V15O36Cl]8− cluster","CrystEngComm","2013","15","23","4593","","10.1039/c3ce40280k","","","0.71073","MoKα","","0.0605","0.054","","","0.1528","0.1583","","","","","","1.059","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210153","3.8348","0.0009","12.718","0.003","14.067","0.003","90","","90","","90","","686.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.039","0.0354","","","0.089","0.0908","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210154","6.9109","0.0014","12.289","0.003","12.647","0.003","112.713","0.008","93.424","0.007","103.103","0.007","951.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0677","0.0603","","","0.1615","0.1647","","","","","","1.214","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210155","3.908","0.0006","23.78","0.004","11.839","0.002","90","","100.833","0.009","90","","1080.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C52 H44 N4 O12 -","2","0.5","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0524","0.0482","","","0.1259","0.136","","","","","","1.074","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210156","5.1396","0.0015","12.118","0.004","11.792","0.003","90","","112.482","0.011","90","","678.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-Difluorobenzamide","","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C28 H20 F8 N4 O4 -","4","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0393","0.0355","","","0.0909","0.0934","","","","","","1.055","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210157","5.4942","0.0004","15.1735","0.001","10.498","0.0007","90","","101.707","0.001","90","","856.97","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C34 H32 N8 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0249","0.0241","","","0.0681","0.0688","","","","","","1.058","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210158","14.0366","0.001","10.7686","0.0007","11.8026","0.0008","90","","90","","90","","1784","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0514","0.0434","","","0.0951","0.0989","","","","","","1.091","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210159","5.5319","0.0005","15.2012","0.0015","10.6928","0.001","90","","104.581","0.002","90","","870.21","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0391","0.0372","","","0.0993","0.101","","","","","","1.069","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210160","5.4588","0.0004","15.0882","0.0012","10.8815","0.0009","90","","104.21","0.001","90","","868.82","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.03","0.0277","","","0.0714","0.0729","","","","","","1.031","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210161","11.367","0.002","3.8092","0.0007","13.278","0.003","90","","112.892","0.003","90","","529.65","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-Aminopyridine 4-nitrophenol","3-Aminopyridine 4-nitrophenol","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C22 H22 N6 O6 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0579","0.0527","","","0.1347","0.1393","","","","","","1.071","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210162","5.016","0.0004","21.6277","0.0016","15.7012","0.0013","90","","90.769","0.001","90","","1703.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-Diaminopyrimidinium 4-nitrophenolate 4-nitrophenol","2,3-Diaminopyrimidinium 4-nitrophenolate 4-nitrophenol","","- C16 H16 N6 O6 -","- C16 H16 N6 O6 -","- C64 H64 N24 O24 -","4","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0362","0.0331","","","0.085","0.0891","","","","","","1.075","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210163","16.2454","0.0005","16.2454","0.0005","26.0964","0.0009","90","","90","","90","","6887.2","0.4","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C148 H108 Dy8 N12 O44 Si -","- C148 H108 Dy8 N12 O44 Si -","- C296 H216 Dy16 N24 O88 Si2 -","2","0.25","","She, Shi-Xiong; Zaworotko, Michael J.; Liu, Wei; Zhang, Zhu-Xiu; Li, Yahong","A unique μ8-silicate-bridged octametallic [Dy8SiO4] complex exhibiting slow magnetic relaxation","CrystEngComm","2013","15","25","5003","","10.1039/c3ce40295a","","","1.54178","CuKα","","0.0646","0.0457","","","0.1002","0.1098","","","","","","1.072","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210164","20.44","0.005","8.974","0.003","18.728","0.005","90","","95.099","0.005","90","","3421.7","1.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N2 O6 S Zn -","- C17 H15 N2 O6 S Zn -","- C136 H120 N16 O48 S8 Zn8 -","8","1","","Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang","3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties","CrystEngComm","2013","15","24","4930","","10.1039/c3ce40315g","","","0.71073","MoKα","","0.0941","0.0688","","","0.1898","0.2076","","","","","","1.001","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210165","24.3069","0.0017","9.3535","0.0006","25.2396","0.0018","90","","101.62","0.001","90","","5620.7","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H45 Cd4 N6 O18 S2 -","- C57 H45 Cd4 N6 O18 S2 -","- C228 H180 Cd16 N24 O72 S8 -","4","0.5","","Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang","3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties","CrystEngComm","2013","15","24","4930","","10.1039/c3ce40315g","","","0.71073","MoKα","","0.0611","0.0379","","","0.0774","0.0874","","","","","","1.021","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210166","9.4493","0.0007","8.7865","0.0005","21.4735","0.0013","90","","113.836","0.005","90","","1630.8","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H36 B14 N6 O26 -","- C8 H36 B14 N6 O26 -","- C16 H72 B28 N12 O52 -","2","0.5","","Wu, Lian-Zhi; Cheng, Lin; Shen, Jin-Ni; Yang, Guo-Yu","From discrete borate cluster to three-dimensional open framework","CrystEngComm","2013","15","22","4483","","10.1039/c3ce40327k","","","0.71073","MoKα","","0.1052","0.0896","","","0.2532","0.2735","","","","","","1.071","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210167","10.066","0.003","10.325","0.003","14.786","0.005","90","","91.456","0.005","90","","1536.2","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H38 Al2 B10 N6 O24 -","- C8 H38 Al2 B10 N6 O24 -","- C16 H76 Al4 B20 N12 O48 -","2","1","","Wu, Lian-Zhi; Cheng, Lin; Shen, Jin-Ni; Yang, Guo-Yu","From discrete borate cluster to three-dimensional open framework","CrystEngComm","2013","15","22","4483","","10.1039/c3ce40327k","","","0.71073","MoKα","","0.0592","0.0509","","","0.1305","0.1603","","","","","","1.05","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210168","12.548","0.002","5.2674","0.0009","27.842","0.005","90","","92.573","0.003","90","","1838.4","0.5","292","2","292","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Atovaquone","trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1781","0.0796","","","0.1182","0.1427","","","","","","1.048","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210169","5.9369","0.0007","18.358","0.002","16.6699","0.0018","90","","97.334","0.002","90","","1802","0.3","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","Atovaquone","trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1274","0.055","","","0.0818","0.0989","","","","","","0.952","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210170","13.2516","0.001","10.9285","0.0009","12.6302","0.001","90","","95.45","0.001","90","","1820.8","0.2","292","2","292","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","cis-Atovaquone","cis -2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.0513","0.0386","","","0.0994","0.1101","","","","","","1.036","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210171","5.9504","0.0007","12.4798","0.0015","12.9769","0.0016","107.582","0.002","100.95","0.002","103.635","0.002","856.55","0.18","292","2","292","2","","","","","","","see text","3","P -1","-P 1","2","","trans- 2-(4-tert-butylcyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C20 H15 O3 -","- C20 H15 O3 -","- C40 H30 O6 -","2","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1535","0.093","","","0.2532","0.2959","","","","","","0.959","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210172","14.401","0.003","5.3279","0.0009","17.393","0.003","90","","98.926","0.003","90","","1318.4","0.4","292","2","292","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","2-cyclohexyl-3-hydroxynaphthalene-1,4-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.081","0.0489","","","0.1205","0.1395","","","","","","0.974","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210173","10.3671","0.0011","7.0515","0.0007","25.102","0.002","90","","99.777","0.002","90","","1808.4","0.3","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","trans -2-(4-(4-chlorophenyl)cyclohexyl)-3-chloronaphthalene-1,4-dione","","- C22 H18 Cl2 O2 -","- C22 H18 Cl2 O2 -","- C88 H72 Cl8 O8 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1457","0.0635","","","0.0893","0.1129","","","","","","1.034","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210174","5.977","0.0018","12.226","0.004","13.103","0.004","103.814","0.005","90.038","0.004","95.271","0.006","925.6","0.5","292","2","292","2","","","","","","","see text","4","P -1","-P 1","2","","cis-2-(4-(4-chlorophenyl) cyclohexyl) -3-chloronaphthalene-1,4-dione","","- C22 H18 Cl2 O2 -","- C22 H18 Cl2 O2 -","- C44 H36 Cl4 O4 -","2","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.0859","0.0537","","","0.1361","0.1556","","","","","","1.027","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210175","11.7512","0.0016","12.7998","0.0018","13.985","0.002","75.766","0.003","67.022","0.002","83.02","0.003","1876.4","0.5","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","cis-2-(4-(4-chlorophenyl)cyclohexyl)-3-nitronaphthalene-1,4-dione","","- C22 H18 Cl N O4 -","- C22 H18 Cl N O4 -","- C88 H72 Cl4 N4 O16 -","4","2","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1346","0.0517","","","0.0892","0.1176","","","","","","0.945","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210176","10.6761","0.0016","10.7356","0.0016","11.9637","0.0018","69.991","0.002","77.562","0.002","60.8412","0.001","1123.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu Dy N5 O12 -","- C16 H16 Cu Dy N5 O12 -","- C32 H32 Cu2 Dy2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.162","0.13","","","0.2726","0.2977","","","","","","1.261","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210177","10.7491","0.0016","10.7585","0.0016","11.8901","0.0018","70.146","0.002","78.016","0.002","61.03","0.001","1129.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H Cu Eu N5 O12 -","- C16 H16 Cu Eu N5 O12 -","- C32 H32 Cu2 Eu2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0318","0.0284","","","0.0751","0.078","","","","","","1.09","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210178","10.725","0.004","10.747","0.004","11.917","0.004","70.146","0.004","77.912","0.005","60.967","0.004","1127.9","0.7","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu Gd N5 O12 -","- C16 H16 Cu Gd N5 O12 -","- C32 H32 Cu2 Gd2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0737","0.0575","","","0.1368","0.1488","","","","","","1.017","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210179","10.639","0.0016","10.6982","0.0016","11.9375","0.0018","70.078","0.002","77.61","0.002","60.7997","0.001","1113.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H Cu Ho N5 O12 -","- C16 H16 Cu Ho N5 O12 -","- C32 H32 Cu2 Ho2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0485","0.0434","","","0.1083","0.1125","","","","","","1.031","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210180","10.672","0.0016","10.7194","0.0016","11.9351","0.0018","70.341","0.002","77.928","0.002","60.8544","0.001","1121.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu N5 O12 Tb -","- C16 H16 Cu N5 O12 Tb -","- C32 H32 Cu2 N10 O24 Tb2 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0453","0.0395","","","0.0958","0.1013","","","","","","1.064","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210181","11.17","0.003","12.706","0.003","18.955","0.005","84.055","0.004","86.911","0.004","72.887","0.004","2556.5","1.1","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Ag8 N24 O83 P2 W24 -","- C28 H40 Ag8 N24 O86 P2 W24 -","- C28 H40 Ag8 N24 O86 P2 W24 -","1","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.1393","0.11","","","0.2447","0.2538","","","","","","1.161","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210182","10.611","0.005","20.693","0.005","14.874","0.005","90","","129.67","0.02","90","","2513.9","1.7","187","2","187","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Ag4 N12 O40 P W12 -","- C16 H24 Ag4 N12 O40 P W12 -","- C32 H48 Ag8 N24 O80 P2 W24 -","2","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71069","MoKα","","0.0745","0.051","","","0.1038","0.1134","","","","","","1.03","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210183","20.252","0.002","13.5088","0.0014","38.953","0.004","90","","105.07","","90","","10290.3","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H27 N6 O46 P W12 -","- C8 H12 N6 O40 P W12 -","- C64 H96 N48 O320 P8 W96 -","8","1","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.0658","0.0398","","","0.0711","0.0731","","","","","","1.008","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210184","13.3672","0.0011","24.45","0.002","12.1885","0.0011","90","","98.47","0.002","90","","3940.1","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Ag5 N24 O40 P W12 -","- C40 H64 Ag5 N24 O40 P W12 -","- C80 H128 Ag10 N48 O80 P2 W24 -","2","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.0769","0.0641","","","0.1416","0.1465","","","","","","1.105","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210185","6.5711","0.0002","7.2502","0.0002","19.0229","0.0005","90","","99.665","0.001","90","","893.42","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 I2 S6 -","- C11 H10 I2 S6 -","- C22 H20 I4 S12 -","2","1","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0373","0.026","","","0.0495","0.053","","","","","","1.048","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210186","9.6986","0.0004","26.2429","0.0008","14.5803","0.0006","90","","90","","90","","3711","0.2","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C22 H20 Cl I4 S12 -","- C22 H20 Cl I4 S12 -","- C88 H80 Cl4 I16 S48 -","4","0.5","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0831","0.0453","","","0.0717","0.0823","","","","","","1.043","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210187","9.6691","0.0004","26.5929","0.0006","14.676","0.0005","90","","90","","90","","3773.6","0.2","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C22 H20 Br I4 S12 -","- C22 H20 Br I4 S12 -","- C88 H80 Br4 I16 S48 -","4","0.5","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0558","0.0294","","","0.0535","0.0614","","","","","","1.067","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210188","7.213","0.003","7.213","0.003","13.987","0.01","90","","90","","90","","727.7","0.7","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- B O8 P2 Pb Rb -","- B O8 P2 Pb Rb -","- B4 O32 P8 Pb4 Rb4 -","4","0.25","","Wang, Ying; Pan, Shilie; Zhang, Min; Han, Shujuan; Su, Xin; Dong, Lingyun","Synthesis, crystal growth and characterization of a new noncentrosymmetric borophosphate: RbPbBP2O8","CrystEngComm","2013","15","24","4956","","10.1039/c3ce40394g","","","0.71073","MoKα","","0.0333","0.0299","","","0.0737","0.0762","","","","","","1.088","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210189","11.1835","0.0003","31.5719","0.0009","14.7373","0.0004","90","","91.632","0.001","90","","5201.4","0.2","78","2","78","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42.75 H32 Ag F6 N12.63 O8.37 P5 -","- C42.75 H32 Ag F6 N12.629 O8.373 P5 -","- C171 H128 Ag4 F24 N50.516 O33.492 P20 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.043","0.0378","","","0.0862","0.0904","","","","","","1.113","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210190","24.99","0.005","14.43","0.003","15.59","0.003","90","","90.7","0.03","90","","5621.4","1.9","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Ag2 F12 N12 O8 P6 -","- C40 H32 Ag2 F12 N12 O8 P6 -","- C160 H128 Ag8 F48 N48 O32 P24 -","4","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1566","0.0721","","","0.1638","0.1988","","","","","","1.042","","","","has coordinates,has disorder","278046","2022-09-21","15:45:42",""
"7210191","8.8673","0.0013","14.964","0.002","20.803","0.004","103.983","0.006","96.807","0.006","103.934","0.006","2553.6","0.7","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H32 Ag2 F6 N12 O14 P4 S2 -","- C42 H32 Ag2 F6 N12 O14 P4 S2 -","- C84 H64 Ag4 F12 N24 O28 P8 S4 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1359","0.0784","","","0.1968","0.2259","","","","","","1.046","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210192","8.837","0.0018","12.822","0.003","13.162","0.003","110.32","0.03","91.58","0.03","92","0.03","1396.4","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","1","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.0302","0.0267","","","0.068","0.0697","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210193","36.803","0.002","7.3345","0.0004","27.2815","0.0016","90","","90","","90","","7364.1","0.7","198","2","198","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H60 Ag3 F18 N16 O8 P7 -","- C56 H60 Ag3 F18 N16 O8 P7 -","- C224 H240 Ag12 F72 N64 O32 P28 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1245","0.0676","","","0.14","0.1702","","","","","","1.012","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210194","14.9201","0.0012","17.413","0.0014","17.8452","0.0014","100.983","0.004","92.204","0.004","102.358","0.004","4430.7","0.6","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H51 Ag4 F12 N16 O22 P4 S4 -","- C60 H51 Ag4 F12 N16 O22 P4 S4 -","- C120 H102 Ag8 F24 N32 O44 P8 S8 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1003","0.0507","","","0.1304","0.15","","","","","","0.965","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210195","27.618","0.003","27.618","0.003","27.618","0.003","90","","90","","90","","21066","4","296","2","296","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C12 H76 B18 Cu3 N9 O73.5 V12 -","- C12 H45 B18 Cu3 N9 O73.5 V12 -","- C96 H360 B144 Cu24 N72 O588 V96 -","8","0.166667","","Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang","New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters","CrystEngComm","2013","15","25","5057","","10.1039/c3ce40428e","","","0.71073","MoKα","","0.0901","0.0559","","","0.1488","0.1888","","","","","","1.181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210196","14.083","0.003","17.226","0.003","18.264","0.006","90","","128.755","0.019","90","","3455.2","1.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H62 B18 N6 Na6 O73 V12 -","- C8 H40 B18 N6 Na6 O73 V12 -","- C16 H80 B36 N12 Na12 O146 V24 -","2","0.5","","Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang","New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters","CrystEngComm","2013","15","25","5057","","10.1039/c3ce40428e","","","0.71073","MoKα","","0.0349","0.0313","","","0.0922","0.0953","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210197","11.333","0.0007","15.2656","0.001","15.6223","0.001","98.946","0.003","101.634","0.003","90.142","0.003","2613.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Co4 N4 O37 -","- C44 H16 Co4 N4 O36.94 -","- C88 H32 Co8 N8 O73.88 -","2","1","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.1082","0.0603","","","0.1469","0.1703","","","","","","1.018","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210198","32.197","0.004","15.2214","0.0016","11.3816","0.0012","90","","90","","90","","5577.9","1.1","120","2","120","2","","","","","","","","5","C m c a","-C 2ac 2","64","Co-bpy-mellitate","","","- C11 H11.5 Co N O9.27 -","- C11 H11 Co N O9.266 -","- C176 H176 Co16 N16 O148.256 -","16","","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.0513","0.0353","","","0.0849","0.0927","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210199","19.986","0.003","11.382","0.002","15.228","0.004","90","","92.43","0.03","90","","3461","1.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-tpt-mel","","","- C30 H27 Co2 N6 O18.65 -","- C30 H24 Co2 N6 O18.646 -","- C120 H96 Co8 N24 O74.584 -","4","1","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.0806","0.0486","","","0.1023","0.1177","","","","","","1.114","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210200","12.8567","0.0003","8.9378","0.0002","16.0555","0.0004","90","","101.613","0.002","90","","1807.18","0.07","291","2","291.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H14 Cd2 O12 -","- C16 H12 Cd2 O12 -","- C64 H48 Cd8 O48 -","4","1","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.7107","MoKα","","0.0381","0.0301","","","0.0624","0.0661","","","","","","1.069","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210201","10.1447","0.0007","13.8559","0.0009","26.1423","0.0017","90","","90","","90","","3674.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N4 O12 Pb2 -","- C32 H42 N4 O12 Pb2 -","- C128 H168 N16 O48 Pb8 -","4","1","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.71073","MoKα","","0.0303","0.0271","","","0.0666","0.068","","","","","","1.046","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210202","12.213","0.005","14.723","0.006","8.994","0.004","90","","108.105","0.004","90","","1537.2","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 O8 Zn2 -","- C16 H6 O8 Zn2 -","- C64 H24 O32 Zn8 -","4","0.5","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.71073","MoKα","","0.0278","0.0222","","","0.0496","0.0518","","","","","","1.052","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210203","4.0678","0.0001","16.2705","0.0006","14.8387","0.0005","90","","96.127","0.002","90","","976.49","0.05","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis-(2-amino-5-iodopyridinium) diaquatrichlorocuprate chloride","","- C10 H16 Cl4 Cu I2 N4 O2 -","- C10 H16 Cl4 Cu I2 N4 O2 -","- C20 H32 Cl8 Cu2 I4 N8 O4 -","2","0.5","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0221","0.0189","","","0.0423","0.0435","","","","","","1.055","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210204","4.1214","0.0005","16.791","0.002","13.5186","0.0013","90","","92.598","0.01","90","","934.56","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(3-iodopyridinium) diaquatrichlorocuprate chloride","","- C10 H14 Cl4 Cu I2 N2 O2 -","- C10 H14 Cl4 Cu I2 N2 O2 -","- C20 H28 Cl8 Cu2 I4 N4 O4 -","2","0.5","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0707","0.0458","","","0.0579","0.0636","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210205","8.1232","0.0003","8.9577","0.0004","13.9151","0.0007","79.998","0.002","78.419","0.001","85.351","0.002","975.73","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Bis(5-amino-2-iodopyridinium) diaquotrichlorocuprate chloride","","- C10 H16 Cl4 Cu I2 N4 O2 -","- C10 H15.2604 Cl4 Cu I2 N4 O2 -","- C20 H30.5208 Cl8 Cu2 I4 N8 O4 -","2","1","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0298","0.0234","","","0.0488","0.0511","","","","","","1.088","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210206","7.948","0.002","16.162","0.005","14.896","0.004","90","","95.18","0.004","90","","1905.7","0.9","163","2","163","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(2-amino-5-bromopyridinium) diaquatrichlorocuprate chloride","","- C10 H16 Br2 Cl4 Cu N4 O2 -","- C10 H15.8368 Br2 Cl4 Cu N4 O2 -","- C40 H63.3472 Br8 Cl16 Cu4 N16 O8 -","4","1","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0363","0.0225","","","0.0492","0.0521","","","","","","0.942","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210207","11.2132","0.0008","15.3143","0.0011","19.9458","0.0015","90","","92.798","0.001","90","","3421.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Au2 Br4 O4 P2 S4 -","- C22 H28 Au2 Br4 O4 P2 S4 -","- C88 H112 Au8 Br16 O16 P8 S16 -","4","1","","Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.","A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity","CrystEngComm","2013","15","22","4417","","10.1039/c3ce40496j","","x-ray","0.71073","MoKα","","0.0469","0.0299","","","0.0617","0.0673","","","","","","1.019","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210208","26.7928","0.0018","26.7928","0.0018","54.09","0.004","90","","90","","90","","38829","5","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C67 H86 Au6 Cl2 O12 P6 S12 -","- C67 H86 Au6 Cl2 O12 P6 S12 -","- C1072 H1376 Au96 Cl32 O192 P96 S192 -","16","1","","Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.","A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity","CrystEngComm","2013","15","22","4417","","10.1039/c3ce40496j","","","0.71073","MoKα","","0.059","0.0357","","","0.0911","0.1045","","","","","","1.061","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210213","31.5","0.007","12.412","0.003","7.016","0.002","90","","90","","90","","2743.1","1.2","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,3-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0721","0.0642","","","0.1617","0.1686","","","","","","1.106","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210214","12.405","0.004","6.948","0.002","31.402","0.011","90","","90","","90","","2706.5","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,4-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.075","0.0685","","","0.1856","0.1904","","","","","","1.292","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210215","8.504","0.006","10.199","0.007","10.258","0.007","108.53","0.01","91.79","0.01","92.96","0.01","841.4","1","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-phenyl-1,3,5-triazine+Isophthalic Acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1127","0.0594","","","0.1387","0.1886","","","","","","0.973","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210216","7.162","0.002","10.042","0.002","12.835","0.003","68.27","0.01","85.45","0.01","71.46","0.01","812.2","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-phenyl-1,3,5-triazine+Phthalic Acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1222","0.0639","","","0.1624","0.2119","","","","","","1.012","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210217","9.821","0.003","7.135","0.002","12.126","0.002","90","","116.6","0.02","90","","759.8","0.4","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2,4-Diamino-6-phenyl-1,3,5-triazine+benzoic acid","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C32 H30 N10 O4 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0931","0.0869","","","0.2169","0.2213","","","","","","1.576","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210218","29.943","0.001","7.007","0.002","12.152","0.004","90","","107.78","0.01","90","","2427.8","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-6-phenyl-1,3,5-triazine+terephthalic acid","","- C26 H24 N10 O4 -","- C26 H24 N10 O4 -","- C104 H96 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1085","0.0871","","","0.2998","0.3098","","","","","","2.037","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210219","13.777","0.004","12.017","0.003","18.451","0.005","90","","101.02","0.004","90","","2998.4","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 N4 O16 -","- C26 H28 Cd2 N4 O16 -","- C104 H112 Cd8 N16 O64 -","4","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.0226","0.021","","","0.0825","0.0836","","","","","","1.219","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210220","11.949","0.002","16.406","0.003","12.63","0.002","90","","117.449","0.002","90","","2197.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N4 O6 Zn -","- C25 H18 N4 O6 Zn -","- C100 H72 N16 O24 Zn4 -","4","1","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.0406","0.0345","","","0.0897","0.0932","","","","","","1.047","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210221","16.82","0.005","16.82","0.005","18.022","0.006","90","","90","","90","","5099","3","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H22 N4 O12 Sr -","- C26 H22 N4 O12 Sr -","- C208 H176 N32 O96 Sr8 -","8","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.1443","0.0763","","","0.159","0.1995","","","","","","1.106","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210222","25.1437","0.0013","25.1437","0.0013","14.5663","0.0015","90","","90","","120","","7975.1","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H30 Mn3 N4 O18 -","- C24 H30 Mn3 N4 O18 -","- C216 H270 Mn27 N36 O162 -","9","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.1137","0.0808","","","0.2299","0.2531","","","","","","1.1","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210223","13.9799","0.0008","14.9811","0.0005","14.9811","0.0005","110.785","0.001","108.123","0.002","108.123","0.001","2454.3","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H0 N12 O60 Zn9 -","- C72 H90 N12 O60 Zn9 -","- C72 H90 N12 O60 Zn9 -","1","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.214","0.1162","","","0.3007","0.3458","","","","","","1.068","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210224","12.24","0.002","13.285","0.003","33.139","0.007","98.09","0.03","91.58","0.03","106.32","0.03","5107","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H92 Ba2 N11 O57 V15 -","- C55 H91.6 Ba2 N11 O57 V15 -","- C110 H183.2 Ba4 N22 O114 V30 -","2","1","","Kastner, Katharina; Streb, Carsten","Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains","CrystEngComm","2013","15","24","4948","","10.1039/c3ce40536b","","x-ray","0.71073","MoKα","","0.0938","0.057","","","0.1281","0.1411","","","","","","1.054","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210225","11.34","0.002","11.638","0.002","12.492","0.003","104.74","0.03","103.04","0.03","107.93","0.03","1431.8","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Ba2 N8 O36 V10 -","- C24 H54 Ba2 N8 O36 V10 -","- C24 H54 Ba2 N8 O36 V10 -","1","0.5","","Kastner, Katharina; Streb, Carsten","Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains","CrystEngComm","2013","15","24","4948","","10.1039/c3ce40536b","","x-ray","0.71073","MoKα","","0.077","0.0503","","","0.1138","0.1261","","","","","","1.03","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210226","16.9317","0.0008","16.9317","0.0008","22.0782","0.0019","90","","90","","120","","5481.4","0.6","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H76 Cl3 Cu7 N24 O8 S8 W2 -","- C72 H75.96 Cl3 Cu7 N24 O8 S8 W2 -","- C144 H151.92 Cl6 Cu14 N48 O16 S16 W4 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.073","0.048","","","0.0907","0.0953","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7210227","16.817","0.002","16.817","0.002","22.226","0.006","90","","90","","120","","5443.6","1.7","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H76 Cl3 Cu7 Mo2 N24 O8 S8 -","- C72 H75.9996 Cl3 Cu7 Mo2 N24 O8 S8 -","- C144 H151.999 Cl6 Cu14 Mo4 N48 O16 S16 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.0653","0.0514","","","0.1257","0.132","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210228","17.0636","0.0014","17.0636","0.0014","22.372","0.003","90","","90","","120","","5641.3","1","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H74 Br3 Cu7 N24 O7 S8 W2 -","- C72 H74.0004 Br3 Cu7 N24 O7 S8 W2 -","- C144 H148.001 Br6 Cu14 N48 O14 S16 W4 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.0837","0.0542","","","0.1097","0.1186","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210229","8.3985","0.0017","9.819","0.002","10.245","0.002","70.94","0.03","81.82","0.03","72.29","0.03","759.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H9 F4 O2 -","- C21 H9 F4 O2 -","- C42 H18 F8 O4 -","2","1","","Chen, Hao; Gao, Fan; Yao, Erdong; Chen, Qi; Ma, Yuguo","Rapid mechanochemical preparation of a sandwich-like charge transfer complex","CrystEngComm","2013","15","22","4413","","10.1039/c3ce40585k","","","0.71073","MoKα","","0.0824","0.0677","","","0.1663","0.1797","","","","","","1.12","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210230","4.3337","0.0002","4.3337","0.0002","40.9103","0.0019","90","","90","","120","","665.4","0.05","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi2 Mn Te4 -","- Bi2 Mn Te4 -","- Bi6 Mn3 Te12 -","3","0.0833333","","Lee, Dong Sun; Kim, Tae-Hoon; Park, Cheol-Hee; Chung, Chan-Yeup; Lim, Young Soo; Seo, Won-Seon; Park, Hyung-Ho","Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4","CrystEngComm","2013","15","27","5532","","10.1039/c3ce40643a","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210232","13.4164","0.0008","15.4139","0.0009","15.0463","0.0009","90","","112.966","0.001","90","","2864.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-5-methoxy-isophtalato-O,O'')-bis- (N,N,N',N'-tetramethylethylen","","","- C21 H39 Cl Cu2 N4 O10 -","- C21 H39 Cl Cu2 N4 O10 -","- C84 H156 Cl4 Cu8 N16 O40 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0633","0.038","","","0.0695","0.0743","","","","","","0.821","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210233","13.4464","0.0009","15.6975","0.0011","13.9301","0.001","90","","111.165","0.002","90","","2742","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-isophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendiamine)-d","","","- C20 H36 Cl Cu2 N4 O9 -","- C20 H36 Cl Cu2 N4 O9 -","- C80 H144 Cl4 Cu8 N16 O36 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.1536","0.1102","","","0.1944","0.2111","","","","","","1.264","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210234","13.4288","0.0007","15.5866","0.0008","14.6967","0.0008","90","","111.897","0.001","90","","2854.2","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-5-nitroisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia","","","- C20 H36 Cl Cu2 N5 O11 -","- C20 H36 Cl Cu2 N5 O11 -","- C80 H144 Cl4 Cu8 N20 O44 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0627","0.0391","","","0.0777","0.0818","","","","","","0.854","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210235","27.4967","0.0015","15.6562","0.0009","15.3494","0.0009","90","","120.473","0.001","90","","5695.1","0.6","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-(Diaqua-(mu-5-aminoisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia","","","- C20 H38 Cl Cu2 N5 O9 -","- C20 H38 Cl Cu2 N5 O9 -","- C160 H304 Cl8 Cu16 N40 O72 -","8","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0666","0.0416","","","0.0923","0.0973","","","","","","0.904","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210236","6.8445","0.0003","15.0636","0.0008","16.1247","0.0008","90","","98.489","0.001","90","","1644.29","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(Aqua-(mu-isophtalato-O,O'')-N,N,N',N'- tetramethylethylen diamine)-copper(ii))","catena-[Aqua-(μ-isophtalato-O,O"")-N,N,N',N'-tetramethylethylen diamine)-copper(ii)]","","- C14 H22 Cu N2 O5 -","- C14 H22 Cu N2 O5 -","- C56 H88 Cu4 N8 O20 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0399","0.0348","","","0.0974","0.1002","","","","","","0.993","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210237","13.3966","0.0008","11.9465","0.0007","24.1319","0.0014","90","","100.382","0.001","90","","3798.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Aqua-(mu-Tetrafluoroisophtalato-O,O'')-(N,N,N',N'- tetramethylethylendiami","","","- C28 H40 Cu2 F8 N4 O12 -","- C28 H40 Cu2 F8 N4 O12 -","- C112 H160 Cu8 F32 N16 O48 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0485","0.0351","","","0.0795","0.083","","","","","","0.906","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210238","10.232","0.003","14.433","0.004","22.709","0.006","90","","90","","90","","3353.6","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Zn(3-tzbd)2.H2O]n","","","- C3.05 H2.29 N1.52 O0.57 Zn0.19 -","- C3.04762 H2.28571 N1.52381 O0.571429 Zn0.190476 -","- C128 H96 N64 O24 Zn8 -","42","5.25","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0584","0.057","","","0.1837","0.1854","","","","","","1.074","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210239","11.4833","0.0014","13.5101","0.0015","15.1777","0.0017","97.56","0.003","100.423","0.004","103.2","0.005","2217.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Zn2(3-tzbd)3(N3)(4,4'-bipy)2.H2O]n","","","- C88 H66 N38 O8 Zn4 -","- C88 H66 N38 O8 Zn4 -","- C88 H66 N38 O8 Zn4 -","1","0.5","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0598","0.0508","","","0.1247","0.1319","","","","","","1.055","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210240","14.6438","0.0015","25.7158","0.0016","7.1582","0.0006","90","","102.572","0.006","90","","2631","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Zn2(3-tzbd)2(OH)2(4,4'-bipy).H2O]n","","","- C104 H88 N40 O20 Zn8 -","- C104 H88 N40 O20 Zn8 -","- C104 H88 N40 O20 Zn8 -","1","0.125","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0636","0.0497","","","0.1404","0.155","","","","","","0.981","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210241","9.5171","0.0004","11.409","","12.9728","0.0001","69.741","0.01","77.556","0.012","80.174","0.012","1283.3","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zn2(3-tzbd)4(phen)2","","","- C56 H36 N20 O4 Zn2 -","- C56 H36 N20 O4 Zn2 -","- C56 H36 N20 O4 Zn2 -","1","0.5","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0536","0.0468","","","0.1305","0.1406","","","","","","0.804","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210242","10.113","0.0012","13.323","0.0016","15.473","0.0018","90","","104.2","0.0013","90","","2021.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 Ni O5 -","- C21 H18 N4 Ni O5 -","- C84 H72 N16 Ni4 O20 -","4","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0322","0.0268","","","0.0707","0.0736","","","","","","1.062","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210243","8.405","0.003","17.494","0.005","17.621","0.004","90","","100.421","0.008","90","","2548.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N8 Ni O7 -","- C25 H20 N8 Ni O7 -","- C100 H80 N32 Ni4 O28 -","4","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0461","0.0345","","","0.0942","0.102","","","","","","1.03","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210244","17.3102","0.0007","10.8871","0.0004","30.2298","0.0012","90","","100.412","0.0005","90","","5603.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 N6 Ni O4 -","- C30 H27 N6 Ni O4 -","- C240 H216 N48 Ni8 O32 -","8","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71073","MoKα","","0.0444","0.0344","","","0.0918","0.096","","","","","","1.075","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210245","23.1936","0.001","15.0255","0.0007","16.4652","0.0013","90","","124.695","0.0004","90","","4717.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N10 Ni2 O15 -","- C44 H40 N10 Ni2 O15 -","- C176 H160 N40 Ni8 O60 -","4","0.5","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0445","0.0331","","","0.0808","0.0869","","","","","","1.004","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210246","18.9686","0.001","18.8743","0.0009","26.1162","0.0014","90","","107.436","0.001","90","","8920.5","0.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H92 In12 N12 Ni O3 S20 -","- C30 H60 In12 N10 Ni S20 -","- C120 H240 In48 N40 Ni4 S80 -","4","1","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.074","0.0563","","","0.1278","0.1387","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210247","32.042","0.004","9.8206","0.0008","24.305","0.002","90","","127.353","0.002","90","","6079.6","1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H192 In8 N24 Ni4 O12 S16 -","- C72 In8 N24 Ni4 O12 S16 -","- C144 In16 N48 Ni8 O24 S32 -","2","0.25","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.0616","0.053","","","0.1344","0.1409","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210248","24.8713","0.0015","28.3131","0.0016","52.118","0.003","90","","90","","90","","36701","4","296","2","296","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C90 H222 Co8 In16 N30 O5 S37 -","- C72 H120 Co8 In16 N24 S37 -","- C576 H960 Co64 In128 N192 S296 -","8","0.25","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71073","MoKα","","0.1322","0.117","","","0.1907","0.1963","","","","","","1.167","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210249","22.9417","0.001","26.2387","0.001","27.3488","0.0011","90","","99.454","0.001","90","","16239.3","1.1","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H408 Co17 In32 N56 O6 S68 -","- C132 Co17 In32 N52 O6 S68 -","- C264 Co34 In64 N104 O12 S136 -","2","0.5","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.1141","0.0814","","","0.1798","0.202","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210250","9.09","0.003","26.329","0.008","14.854","0.005","90","","95.493","0.004","90","","3539","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H20 Cd Cl4 N2 O5 -","- C35 H20 Cd Cl4 N2 O5 -","- C140 H80 Cd4 Cl16 N8 O20 -","4","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.0648","0.0448","","","0.1212","0.1341","","","","","","1.033","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210251","14.7666","0.001","24.2437","0.0017","14.97","0.001","90","","112.025","0.001","90","","4968.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 Cd2 Cl6 N3 O6 -","- C54 H37 Cd2 Cl6 N3 O6 -","- C216 H148 Cd8 Cl24 N12 O24 -","4","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.0916","0.0504","","","0.1256","0.1464","","","","","","1.049","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210252","15.88","0.002","24.478","0.003","26.637","0.004","90","","106.257","0.003","90","","9940","2","58","2","58","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H30 Cd2 Cl6 I N3 O3 -","- C52 H30 Cd2 Cl6 I N3 O4 -","- C416 H240 Cd16 Cl48 I8 N24 O32 -","8","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.1071","0.0538","","","0.1432","0.2035","","","","","","1.111","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210253","10.442","0.002","11.545","0.002","14.071","0.003","102.208","0.002","110.931","0.001","100.536","0.001","1485.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Pr -","- C33 H24 O12 Pr -","- C66 H48 O24 Pr2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0261","0.0234","","","0.0613","0.0758","","","","","","0.987","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210254","10.1324","0.0008","10.1905","0.0009","15.5442","0.001","96.333","0.002","97.155","0.003","114.009","0.003","1431.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Er O11 -","- C33 H22 Er O11 -","- C66 H44 Er2 O22 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0662","0.0602","","","0.1755","0.1956","","","","","","1.109","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210255","10.1326","0.0005","10.1834","0.0004","15.5265","0.0008","96.308","0.004","97.128","0.004","113.89","0.004","1430.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Ho O11 -","- C33 H22 Ho O11 -","- C66 H44 Ho2 O22 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0589","0.0452","","","0.0624","0.0687","","","","","","0.995","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210256","10.4475","0.0011","11.5142","0.0006","14.0367","0.0016","102.313","0.007","110.938","0.01","100.587","0.006","1476.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Nd O12 -","- C33 H24 Nd O12 -","- C66 H48 Nd2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0511","0.0414","","","0.0878","0.0931","","","","","","1.033","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210257","10.413","0.0011","11.4804","0.0018","14.1232","0.0019","102.54","0.006","111.188","0.001","100.429","0.003","1472.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Sm -","- C33 H24 O12 Sm -","- C66 H48 O24 Sm2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0393","0.0329","","","0.0873","0.1026","","","","","","1.082","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210258","10.3979","0.0006","11.4388","0.0006","14.1007","0.0008","102.635","0.005","111.321","0.005","100.381","0.005","1460.95","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Eu O12 -","- C33 H24 Eu O12 -","- C66 H48 Eu2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0467","0.036","","","0.0658","0.0702","","","","","","1.03","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210259","10.4002","0.0006","11.4239","0.0006","14.1035","0.0008","102.78","0.001","111.354","0.001","100.275","0.001","1458.8","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Gd O12 -","- C33 H24 Gd O12 -","- C66 H48 Gd2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0308","0.028","","","0.0669","0.0687","","","","","","1.041","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210260","11.9617","0.0006","12.6849","0.0005","19.6998","0.001","90","","107.951","0.003","90","","2843.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 N2 O7 Tb -","- C34 H20 N2 O7 Tb -","- C136 H80 N8 O28 Tb4 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0445","0.0352","","","0.0902","0.1212","","","","","","1.074","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210261","11.9684","0.0006","12.6499","0.0004","19.6347","0.0017","90","","108","0.006","90","","2827.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Dy N2 O7 -","- C34 H20 Dy N2 O7 -","- C136 H80 Dy4 N8 O28 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0498","0.0349","","","0.0706","0.0755","","","","","","1.038","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210262","12.0185","0.0004","12.6199","0.0005","19.586","0.0008","90","","108.006","0.003","90","","2825.16","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 Er N2 O7 -","- C34 H20 Er N2 O7 -","- C136 H80 Er4 N8 O28 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0494","0.0327","","","0.0476","0.0519","","","","","","0.9","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210263","12.0745","0.0018","12.584","0.002","19.537","0.002","90","","108","0.007","90","","2823.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 N2 O7 Yb -","- C34 H20 N2 O7 Yb -","- C136 H80 N8 O28 Yb4 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0618","0.0422","","","0.0748","0.0827","","","","","","1.076","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210264","10.3248","0.0019","11.3302","0.0018","14.087","0.003","102.938","0.014","111.17","0.017","100.561","0.014","1433.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Tb -","- C33 H24 O12 Tb -","- C66 H48 O24 Tb2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0387","0.0331","","","0.0693","0.0752","","","","","","0.99","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210265","8.1858","0.0008","10.6531","0.0012","20.967","0.002","90","","92.684","0.007","90","","1826.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.1232","0.0536","","","0.0896","0.1071","","","","","","1.049","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210266","21.5904","0.0013","13.638","0.0008","16.9958","0.0017","90","","123.947","0.003","90","","4151.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C168 H192 N16 O16 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.169","0.0818","","","0.1977","0.2355","","","","","","0.997","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210267","21.9667","0.0007","13.4559","0.0007","17.1405","0.0007","90","","124.165","0.004","90","","4192.1","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H27 N2 O2.5 -","- C22.5 H27 N2 O2.5 -","- C180 H216 N16 O20 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.0929","0.0689","","","0.1199","0.1273","","","","","","1.076","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7210268","8.2791","0.0006","10.4599","0.0007","26.664","0.002","90","","96.212","0.007","90","","2295.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O4 S -","- C23 H32 N2 O4 S -","- C92 H128 N8 O16 S4 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.1084","0.0885","","","0.1671","0.1781","","","","","","1.007","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210269","8.927","0.002","9.233","0.002","12.683","0.003","94.158","0.004","96.911","0.004","104.064","0.005","1001","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H20 Ca Cu N2 O13 S -","- C11 H20 Ca Cu N2 O13 S -","- C22 H40 Ca2 Cu2 N4 O26 S2 -","2","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0542","0.0473","","","0.1233","0.1262","","","","","","1.006","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210270","8.1109","0.0011","11.7065","0.0018","16.46","0.003","90","","100.757","0.009","90","","1535.4","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cu N2 O9 S Sr -","- C11 H12 Cu N2 O9 S Sr -","- C44 H48 Cu4 N8 O36 S4 Sr4 -","4","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0962","0.0618","","","0.1125","0.117","","","","","","1.014","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210271","8.498","0.002","9.691","0.003","12.53","0.003","110.582","0.004","91.961","0.004","113.516","0.004","867.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Ba Cu N2 O11 S -","- C11 H16 Ba Cu N2 O11 S -","- C22 H32 Ba2 Cu2 N4 O22 S2 -","2","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0386","0.0357","","","0.0925","0.0941","","","","","","1.048","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210272","18.871","0.013","18.123","0.013","14.501","0.01","90","","95.28","0.009","90","","4938","6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H13 Mn2 N6 O11 -","- C26 H13 Mn2 N6 O11 -","- C104 H52 Mn8 N24 O44 -","4","1","","Wang, Yu-Xian; Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Xu, Ling-Ling; Lachgar, Abdessadek; Zhang, Jian-Jun","Four (5,5)-connected three-dimensional metal organic materials based on pentacarboxylate ligand: Synthesis, structures and characterization","CrystEngComm","2013","15","32","6395","","10.1039/c3ce40599k","","","0.71073","MoKα","","0.0709","0.0502","","","0.1142","0.1225","","","","","","0.904","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210273","16","0.004","21.411","0.005","19.198","0.005","90","","99.861","0.003","90","","6480","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu4 N8 O17 -","- C31 H22 Cu4 N8 O17 -","- C124 H88 Cu16 N32 O68 -","4","1","","Wang, Yu-Xian; Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Xu, Ling-Ling; Lachgar, Abdessadek; Zhang, Jian-Jun","Four (5,5)-connected three-dimensional metal organic materials based on pentacarboxylate ligand: Synthesis, structures and characterization","CrystEngComm","2013","15","32","6395","","10.1039/c3ce40599k","","","0.71073","MoKα","","0.0558","0.0363","","","0.0775","0.0813","","","","","","0.958","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210274","10.8122","0.001","11.1482","0.0011","31.445","0.003","90","","90","","90","","3790.3","0.6","248","2","248","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl3 Cu N6 O10 -","- C10 H13 Cl3 Cu N6 O10 -","- C80 H104 Cl24 Cu8 N48 O80 -","8","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0477","0.0358","","","0.0938","0.1004","","","","","","1.02","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210275","32.804","0.003","6.6637","0.0006","21.391","0.002","90","","128.802","0.005","90","","3644.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Cl Cu N8 O9 -","- C10 H15 Cl Cu N8 O9 -","- C80 H120 Cl8 Cu8 N64 O72 -","8","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0455","0.0404","","","0.1085","0.1133","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210276","14.87","0.006","19.709","0.008","8.759","0.003","90","","106.423","0.004","90","","2462.3","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl4 Cu2 N12 -","- C20 H16 Cl4 Cu2 N12 -","- C80 H64 Cl16 Cu8 N48 -","4","0.5","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0651","0.0377","","","0.0483","0.0513","","","","","","1.58","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210277","14.641","0.007","14.569","0.007","12.478","0.006","90","","94.49","0.004","90","","2653","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cl3 Cu2 N12 O5 -","- C20 H17 Cl3 Cu2 N12 O5 -","- C80 H68 Cl12 Cu8 N48 O20 -","4","0.5","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0492","0.0341","","","0.0799","0.0883","","","","","","1.027","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210278","11.2535","0.0006","11.921","0.001","12.0912","0.0009","92.17","0.007","115.524","0.006","107.005","0.006","1374.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl2 Cu2 N13 O6 -","- C20 H21 Cl2 Cu2 N13 O6 -","- C40 H42 Cl4 Cu4 N26 O12 -","2","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0462","0.0374","","","0.0896","0.0964","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210279","9.924","0.008","9.781","0.006","22.976","0.016","90","","102.64","0.03","90","","2176","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O7 S -","- C21 H20 N4 O7 S -","- C84 H80 N16 O28 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","0.71073","MoKα","","0.0878","0.051","","","0.1228","0.1574","","","","","","0.965","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210280","21.4632","0.0018","5.7527","0.0005","18.1385","0.0015","90","","114.205","0.006","90","","2042.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N4 O6 S -","- C21 H18 N4 O6 S -","- C84 H72 N16 O24 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","1.54178","CuKα","","0.1382","0.0576","","","0.1315","0.1629","","","","","","1.003","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210281","7.8714","0.0005","16.5514","0.0011","13.6543","0.0007","90","","124.464","0.003","90","","1466.69","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O6 S -","- C14 H12 N2 O6 S -","- C56 H48 N8 O24 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","0.71073","MoKα","","0.0455","0.0416","","","0.1018","0.1048","","","","","","1.014","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210282","11.4318","0.0009","8.4683","0.0007","13.999","0.0001","90","","105.272","0.0001","90","","1307.36","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 I4 Ru2 -","- C20 H28 I4 Ru2 -","- C40 H56 I8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0434","0.0265","","","0.0533","0.0567","","","","","","0.874","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210283","7.7049","0.0007","8.3452","0.0007","20.036","0.002","90","","92.797","0.001","90","","1286.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 I4 Ru2 -","- C20 H28 I4 Ru2 -","- C40 H56 I8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0426","0.0357","","","0.0879","0.0913","","","","","","1.042","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210284","7.55","0.005","16.543","0.005","7.885","0.005","90","","103.431","0.005","90","0.05","957.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl4 Ru2 -","- C18 H20 Cl4 Ru2 -","- C36 H40 Cl8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0384","0.027","","","0.0887","0.1002","","","","","","0.715","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210285","15.659","0.005","7.66","0.005","17.82","0.005","90","0.005","112.476","0.005","90","0.005","1975.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C72 H92 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0546","0.0353","","","0.0751","0.0818","","","","","","1.032","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210286","23.763","0.003","21.535","0.002","26.471","0.003","90","","97.687","0.002","90","","13424","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 Co2 N2 O12 -","- C45 H34 Co2 N2 O12 -","- C360 H272 Co16 N16 O96 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.0955","0.0507","","","0.1092","0.1168","","","","","","1.015","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210287","23.763","0.003","21.535","0.002","26.471","0.003","90","","97.687","0.002","90","","13424","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 N2 O12 Zn2 -","- C45 H34 N2 O12 Zn2 -","- C360 H272 N16 O96 Zn16 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.1332","0.0743","","","0.1969","0.2146","","","","","","1.069","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210288","26.39","0.002","19.0868","0.0016","27.639","0.002","90","","95.478","0.001","90","","13858.2","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H26.5 Cd O12.25 -","- C33 H26.5 Cd O12.25 -","- C264 H212 Cd8 O98 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.1195","0.0696","","","0.2096","0.2228","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210289","13.2108","0.001","14.2447","0.001","14.5976","0.0011","90","","113.318","0.001","90","","2522.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Ag4 Cl4 N12 O20 S6 -","- C24 H44 Ag4 Cl4 N12 O20 S6 -","- C48 H88 Ag8 Cl8 N24 O40 S12 -","2","0.5","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0288","0.0263","","","0.0628","0.0641","","","","","","1.068","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210290","8.9829","0.0013","11.1316","0.0016","11.1548","0.0016","70.62","0.002","79.114","0.002","74.141","0.002","1006.2","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H12 Ag2 F6 N4 O4 S2 -","- C12 H12 Ag2 F6 N4 O4 S2 -","- C24 H24 Ag4 F12 N8 O8 S4 -","2","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0405","0.0363","","","0.0892","0.0937","","","","","","1.063","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210291","12.862","0.002","19.608","0.004","26.579","0.005","90","","90","","90","","6703","2","296","2","296.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C16 H24 Ag2 As2 F12 N8 S3 -","- C16 H24 Ag2 As2 F12 N8 S3 -","- C128 H192 Ag16 As16 F96 N64 S24 -","8","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.1007","0.05","","","0.1345","0.1626","","","","","","1.029","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210292","6.9033","0.0012","7.852","0.0013","8.6789","0.0015","99.337","0.002","97.714","0.002","115.448","0.002","408.04","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H6 Ag N3 O3 S -","- C4 H6 Ag N3 O3 S -","- C8 H12 Ag2 N6 O6 S2 -","2","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0312","0.0306","","","0.0989","0.0992","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210293","6.6152","0.0006","15.4671","0.0014","8.1921","0.0008","90","","113.208","0.001","90","","770.37","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N6 O6 S2 -","- C8 H12 Cu N6 O6 S2 -","- C16 H24 Cu2 N12 O12 S4 -","2","0.5","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0218","0.021","","","0.0548","0.0553","","","","","","1.04","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210294","14.629","0.002","12.3526","0.0008","9.8215","0.001","90","","121.535","0.009","90","","1512.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H40 Cu8 N44 O8 S4 -","- C24 H40 Cu8 N44 O8 S4 -","- C24 H40 Cu8 N44 O8 S4 -","1","0.125","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.15","0.0732","","","0.1561","0.2044","","","","","","1.03","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210295","25.7473","0.0014","25.7473","0.0014","23.3799","0.0013","90","","90","","120","","13422.6","1.3","173","2","173","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C20 H44 Cl4 N9 Ni4.5 O28.5 S4 -","- C20 H44 Cl4 N9 Ni4.5 O28.5033 S4 -","- C240 H528 Cl48 N108 Ni54 O342.04 S48 -","12","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0484","0.0377","","","0.095","0.1034","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210296","23.986","0.006","23.986","0.006","10.481","0.004","90","","90","","90","","6030","3","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C7 H8 O6.5 P Zn -","- C7 H4 O6.5 P Zn -","- C112 H64 O104 P16 Zn16 -","16","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0962","0.0866","","","0.2631","0.274","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210297","32.652","0.005","32.652","0.005","32.652","0.005","90","","90","","90","","34812","9","293","2","293","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C14 H10 O11 P2 Zn2.5 -","- C14 H8 O11 P2 Zn2.5 -","- C672 H384 O528 P96 Zn120 -","48","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0896","0.0559","","","0.1345","0.1473","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210298","9.4155","0.0006","9.9399","0.0004","15.3997","0.0008","82.238","0.007","86.946","0.007","88.633","0.008","1425.81","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Mn2 N3 O11 S2 -","- C24 H25 Mn2 N3 O11 S2 -","- C48 H50 Mn4 N6 O22 S4 -","2","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.0802","0.0563","","","0.1467","0.1746","","","","","","0.933","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210299","16.4733","0.0012","10.6596","0.0006","21.7791","0.0013","90","","92.688","0.005","90","","3820.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Mn3 N3 O15 S3 -","- C30 H27 Mn3 N3 O15 S3 -","- C120 H108 Mn12 N12 O60 S12 -","4","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.086","0.0644","","","0.1795","0.2088","","","","","","1.113","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210300","11.857","0.009","18.273","0.013","11.496","0.011","90","","99.2","0.02","90","","2459","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 Mn N O5 S -","- C10 H11 Mn N O5 S -","- C80 H88 Mn8 N8 O40 S8 -","8","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.0884","0.0602","","","0.1539","0.234","","","","","","1.17","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210301","22.7772","0.0016","22.7772","0.0016","12.8156","0.0018","90","","90","","90","","6648.7","1.1","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C14 H7 Mn2 O10 S2 -","- C14 H7 Mn2 O10 S2 -","- C112 H56 Mn16 O80 S16 -","8","0.5","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.1448","0.1221","","","0.3106","0.3353","","","","","","1.097","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210302","24.3021","0.001","16.0142","0.0006","22.0018","0.0009","90","","100.138","0.001","90","","8428.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N Nd O9 Si -","- C30 H24 N Nd O9 Si -","- C240 H192 N8 Nd8 O72 Si8 -","8","1","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0384","0.03","","","0.0798","0.0816","","","","","","1.14","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210303","18.735","0.002","30.214","0.003","24.837","0.003","90","","90","","90","","14059","3","296","2","296","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C84 H60 Eu4 O30 Si3 -","- C84 H48 Eu4 O30 Si3 -","- C336 H192 Eu16 O120 Si12 -","4","0.25","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0775","0.0481","","","0.1252","0.1299","","","","","","1.085","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210304","18.774","0.002","29.704","0.003","24.89","0.003","90","","90","","90","","13880","3","296","2","296","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C84 H60 Er4 O30 Si3 -","- C84 H48 Er4 O30 Si3 -","- C336 H192 Er16 O120 Si12 -","4","0.25","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0677","0.0402","","","0.0752","0.0772","","","","","","1.14","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210305","13.085","0.003","19.689","0.004","22.821","0.005","104.33","0.03","95.37","0.03","104.76","0.03","5431","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H104 As4 N2 Na10 O199 Tb6 W44 -","- C10 H18 As4 N2 Na10 O199 Tb6 W44 -","- C10 H18 As4 N2 Na10 O199 Tb6 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.1438","0.0865","","","0.1569","0.1729","","","","","","1.045","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210306","13.047","0.003","19.597","0.004","22.707","0.005","104.41","0.03","95.24","0.03","104.76","0.03","5363","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H114 As4 Dy6 N2 Na10 O204 W44 -","- C10 H18 As4 Dy6 N2 Na10 O201 W44 -","- C10 H18 As4 Dy6 N2 Na10 O201 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.1067","0.0704","","","0.1456","0.1609","","","","","","1.038","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210307","15.4412","0.0012","19.3382","0.0015","22.4967","0.0017","77.841","0.001","83.381","0.001","87.227","0.001","6521.1","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H134 As4 N2 Na10 Nd6 O214 W44 -","- C10 H18 As4 N2 Na10 Nd6 O194 W44 -","- C10 H18 As4 N2 Na10 Nd6 O194 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.0915","0.0561","","","0.1297","0.1406","","","","","","0.973","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210308","8.4958","0.0005","15.7766","0.001","5.9616","0.0004","90","","99.269","0.003","90","","788.63","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl4 Cu2 N2 -","- C10 H22 Cl4 Cu2 N2 -","- C20 H44 Cl8 Cu4 N4 -","2","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0261","0.0208","","","0.0465","0.0486","","","","","","1.033","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210309","9.2245","0.0002","9.3525","0.0002","9.6145","0.0002","76.753","0.001","84.99","0.001","82.601","0.001","799.23","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Cl4 Cu N2 O -","- C10 H24 Cl4 Cu N2 O -","- C20 H48 Cl8 Cu2 N4 O2 -","2","1","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.022","0.0185","","","0.045","0.0469","","","","","","1.042","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210310","7.6443","0.0004","7.6443","0.0004","19.1597","0.0012","90","","90","","90","","1119.6","0.11","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H12 Cl4 Cu N2 -","- C4 H12 Cl4 Cu N2 -","- C16 H48 Cl16 Cu4 N8 -","4","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0163","0.0154","","","0.0366","0.0368","","","","","","1.059","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210311","10.9151","0.0009","6.7334","0.0006","12.1914","0.001","90","","96.197","0.005","90","","890.78","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl3 Cu N2 -","- C4 H12 Cl3 Cu N2 -","- C16 H48 Cl12 Cu4 N8 -","4","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0527","0.0352","","","0.0618","0.0678","","","","","","1.022","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210312","26.88","0.005","19.664","0.004","16.83","0.003","90","","101.88","0.03","90","","8705","3","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H42 Er2 N6 O6 -","- C48 H42 Er2 N6 O6 -","- C384 H336 Er16 N48 O48 -","8","2","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210313","11.0044","0.0006","17.2845","0.0004","11.531","0.0004","90","","104.002","0.004","90","","2128.09","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O8 Yb2 -","- C42 H42 N4 O8 Yb2 -","- C84 H84 N8 O16 Yb4 -","2","0.5","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","0.71073","MoKα","","0.046","0.03","","","0.0557","0.0642","","","","","","1.07","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210314","10.984","0.002","17.332","0.003","11.518","0.002","90","","102.68","0.03","90","","2139.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Er N4 O8 Yb -","- C42 H42 Er N4 O8 Yb -","- C84 H84 Er2 N8 O16 Yb2 -","2","0.5","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","0.71073","MoKα","","0.0606","0.0394","","","0.0802","0.0897","","","","","","1.064","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210315","9.1075","0.0004","15.797","0.0007","16.6894","0.0007","90","","105.699","0.001","90","","2311.55","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Felodipine : N,N-dimethylacetamide (1:1)","","","- C22 H28 Cl2 N2 O5 -","- C22 H28 Cl2 N2 O5 -","- C88 H112 Cl8 N8 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.0578","0.0475","","","0.1343","0.1422","","","","","","1.07","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210316","28.6544","0.0012","11.445","0.0005","14.573","0.0006","90","","90.715","0.001","90","","4778.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Felodipine : 1,3-dimethylimidazolidine-2-one (1:1)","","","- C23 H29 Cl2 N3 O5 -","- C23 H29 Cl2 N3 O5 -","- C184 H232 Cl16 N24 O40 -","8","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.054","0.0469","","","0.1202","0.1248","","","","","","1.084","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210317","16.3261","0.0018","11.4866","0.0011","14.7468","0.0017","90","","111.959","0.003","90","","2564.9","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Felodipine : tetramethylurea (1:1)","","","- C23 H31 Cl2 N3 O5 -","- C23 H31 Cl2 N3 O5 -","- C92 H124 Cl8 N12 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.1033","0.0563","","","0.142","0.1579","","","","","","0.959","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210318","7.0258","0.0004","8.7456","0.0007","11.5823","0.0008","97.224","0.006","105.576","0.006","106.448","0.006","641.61","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N4 O5 Zn0.5 -","- C12 H13 N4 O5 Zn0.5 -","- C24 H26 N8 O10 Zn -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.54183","CuKα","","0.0373","0.0328","","","0.0859","0.0924","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210319","30.646","0.002","8.0603","0.0003","16.7255","0.0009","90","","116.28","0.007","90","","3704.4","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N6 O14 Zn -","- C40 H40 N6 O14 Zn -","- C160 H160 N24 O56 Zn4 -","4","0.5","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","0.71073","MoKα","","0.0739","0.048","","","0.1036","0.1196","","","","","","0.981","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210320","30.58","0.002","8.0664","0.0003","16.7188","0.0009","90","","116.268","0.007","90","","3698.2","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N6 Ni O14 -","- C40 H40 N6 Ni O14 -","- C160 H160 N24 Ni4 O56 -","4","0.5","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.5418","CuKα","","0.0586","0.0442","","","0.1147","0.1256","","","","","","1.048","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210321","9.5388","0.0004","9.6007","0.0003","11.3978","0.0005","83.76","0.003","84.192","0.003","69.97","0.004","972.57","0.07","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","1","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.5418","CuKα","","0.031","0.0285","","","0.0815","0.0863","","","","","","1.162","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210322","20.282","0.001","22.034","0.001","20.6546","0.0008","90","","90","","90","","9230.4","0.7","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H44 Cr N11 O9 -","- C50 H36 Cr N11 O9 -","- C400 H288 Cr8 N88 O72 -","8","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","0.71073","MoKα","","0.1754","0.095","","","0.2255","0.2858","","","","","","0.99","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210323","16.8518","0.0003","9.3426","0.0002","16.0838","0.0003","90","","116.507","0.001","90","","2266.04","0.08","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N6 Ni -","- C28 H20 N6 Ni -","- C112 H80 N24 Ni4 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.033","0.0295","","","0.0781","0.0804","","","","","","1.057","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210324","13.8377","0.0003","13.8377","0.0003","20.3849","0.0004","90","","90","","120","","3380.39","0.12","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C46 H40 Cl6 N6 Ni O -","- C46 H40 Cl6 N6 Ni O -","- C138 H120 Cl18 N18 Ni3 O3 -","3","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0727","0.0636","","","0.1679","0.1748","","","","","","1.16","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210325","9.1455","0.0002","22.8915","0.0004","17.1438","0.0003","90","","103.468","0.001","90","","3490.43","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 Cl3 N6 Ni -","- C41 H29 Cl3 N6 Ni -","- C164 H116 Cl12 N24 Ni4 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0672","0.0449","","","0.1067","0.1209","","","","","","1.048","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210326","23.9544","0.0006","9.6535","0.0002","17.2072","0.0004","90","","107.043","0.002","90","","3804.32","0.16","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C83 H81 N19 Ni2 O5 -","- C83 H81 N19 Ni2 O5 -","- C166 H162 N38 Ni4 O10 -","2","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0348","0.0311","","","0.0815","0.0837","","","","","","1.033","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210327","16.8936","0.0016","7.615","0.0007","12.9428","0.0012","90","","91.339","0.002","90","","1664.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71073","MoKα","","0.0793","0.0555","","","0.1336","0.1516","","","","","","1.062","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210328","12.589","0.002","5.9903","0.0009","14.136","0.002","90","","115.801","0.002","90","","959.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71073","MoKα","","0.0707","0.0536","","","0.1115","0.1201","","","","","","1.097","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210329","18.302","0.006","8.68","0.003","12.923","0.004","90","","105.172","0.005","90","","1981.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71075","MoKα","","0.0826","0.0585","","","0.1502","0.1681","","","","","","1.077","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210330","18.044","0.006","18.044","0.006","19.407","0.008","90","","90","","90","","6319","4","296","2","296","2","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","","","","- C24 H70 Cl2 N8 O28 Pd6 S8 -","- C24 H46 Cl2 N8 O28 Pd6 S8 -","- C96 H184 Cl8 N32 O112 Pd24 S32 -","4","0.5","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.1065","0.0664","","","0.1717","0.2022","","","","","","1.04","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7210331","16.252","0.003","19.15","0.003","22.751","0.004","90","","90","","90","","7081","2","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H82 N12 O37 Pd6 S10 -","- C30 H60 N12 O37 Pd6 S10 -","- C120 H240 N48 O148 Pd24 S40 -","4","1","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.0914","0.0693","","","0.1759","0.202","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210332","9.51","0.005","9.693","0.006","13.597","0.008","103.857","0.005","100.543","0.004","107.06","0.008","1119.2","1.1","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Rh_2_L1_2_CF3COO_2","","- C44 H28 F16 O10 Rh2 -","- C44 H28 F16 O10 Rh2 -","- C44 H28 F16 O10 Rh2 -","1","0.5","","Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki","Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers","CrystEngComm","2013","15","31","6122","","10.1039/c3ce40777b","","","0.710747","MoKα","","0.0684","0.0587","","","0.1575","0.1615","","","","","","1.229","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210333","9.0904","0.0005","26.7064","0.0002","17.9565","0.0008","90","","101.505","0.001","90","","4271.7","0.3","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","Cu_2_L1_4","","- C68 H32 Cu2 F20 O10 -","- C68 H32 Cu2 F20 O10 -","- C136 H64 Cu4 F40 O20 -","2","0.5","","Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki","Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers","CrystEngComm","2013","15","31","6122","","10.1039/c3ce40777b","","","0.71074","MoKα","","0.0818","0.0759","","","0.2422","0.2472","","","","","","1.143","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210334","8.006","0.002","11.184","0.003","34.465","0.005","90","","90","","90","","3086","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-D-asparaginate 1.75-hydrate","","- C32 H35.5 N6 O11.75 -","- C32 H35.502 N6 O11.751 -","- C128 H142.008 N24 O47.004 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1026","0.0681","","","0.1489","0.1598","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210335","7.73","0.002","11.896","0.003","37.812","0.005","90","","90","","90","","3477","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-L-asparaginate 5-hydrate","","- C32 H42 N6 O15 -","- C32 H42 N6 O15 -","- C128 H168 N24 O60 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0671","0.0492","","","0.1076","0.1129","","","","","","1.038","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210336","12.358","0.003","8.354","0.002","18.078","0.002","90","","101.94","0.03","90","","1826","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-asparaginate ethanol solvate hydrate","","- C36 H44 N6 O14 -","- C36 H43.9998 N6 O14 -","- C72 H87.9996 N12 O28 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1125","0.0766","","","0.1959","0.212","","","","","","1.037","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210337","38.752","0.005","12.287","0.003","7.909","0.002","90","","100.63","0.03","90","","3701.2","1.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 1.2-solvate 1.5-hydrate","","- C35.19 H43.75 N6 O14.69 -","- C35.189 H43.756 N6 O14.689 -","- C140.756 H175.024 N24 O58.756 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1778","0.0693","","","0.1202","0.1457","","","","","","0.873","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210338","7.924","0.002","12.14","0.003","20.495","0.003","73.21","0.02","79.37","0.02","80.53","0.03","1842.1","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 5-solvate","","- C36.5 H46 N6 O14.5 -","- C36.5 H45.998 N6 O14.4995 -","- C73 H91.996 N12 O28.999 -","2","2","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1573","0.0631","","","0.1103","0.1335","","","","","","0.845","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210339","6.371","0.002","9.26","0.002","22.629","0.004","90","","90","","90","","1335","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)-D-asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0598","0.0423","","","0.0859","0.0911","","","","","","0.981","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210340","6.381","0.002","9.276","0.002","22.66","0.003","90","","90","","90","","1341.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","1.54175","CuKα","","0.0919","0.0683","","","0.1646","0.1964","","","","","","1.06","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210341","4.583","0.002","21.947","0.005","12.852","0.003","90","","92.76","0.02","90","","1291.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3,5-dinitrobenzoyl)asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","1.54175","CuKα","","0.1472","0.064","","","0.1452","0.1674","","","","","","0.706","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210342","8.9669","0.0013","9.9577","0.0015","12.1033","0.0018","107.249","0.002","92.764","0.002","106.282","0.002","980.5","0.3","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N4 O12 Zn2 -","- C44 H36 N4 O12 Zn2 -","- C44 H36 N4 O12 Zn2 -","1","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0733","0.0466","","","0.088","0.0987","","","","","","1.011","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210343","27.652","0.005","7.178","0.005","20.457","0.005","90","0.005","120.883","0.005","90","0.005","3485","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cd3 N2 O16 -","- C30 H34 Cd3 N2 O16 -","- C120 H136 Cd12 N8 O64 -","4","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.041","0.034","","","0.0647","0.067","","","","","","1.079","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210344","26.884","0.005","6.861","0.005","20.315","0.005","90","0.005","119.611","0.005","90","0.005","3258","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Co3 N2 O16 -","- C30 H30 Co3 N2 O16 -","- C120 H120 Co12 N8 O64 -","4","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0549","0.0397","","","0.0984","0.1083","","","","","","1.009","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210345","8.631","0.005","9.153","0.005","16.265","0.005","74.694","0.005","87.29","0.005","70.685","0.005","1168.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Cd5 N18 O14 -","- C34 H36 Cd5 N18 O14 -","- C34 H36 Cd5 N18 O14 -","1","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0576","0.0524","","","0.1433","0.149","","","","","","1.065","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210346","10.7045","0.0017","13.064","0.002","16.586","0.003","90","","108.546","0.002","90","","2199","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O7 Zn -","- C21 H16 N2 O7 Zn -","- C84 H64 N8 O28 Zn4 -","4","1","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.084","0.0653","","","0.1853","0.2052","","","","","","1.055","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210347","15.532","0.003","19.713","0.003","15.214","0.003","90","","110.792","0.004","90","","4354.9","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H86 Cd6 N24 O41 -","- C68 H60 Cd6 N24 O41 -","- C136 H120 Cd12 N48 O82 -","2","0.25","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0928","0.0654","","","0.15","0.166","","","","","","1.046","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210348","19.6517","0.0017","5.9639","0.0005","26.919","0.003","90","","105.21","0.007","90","","3044.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 N5 O7 Zn -","- C29 H35 N5 O7 Zn -","- C116 H140 N20 O28 Zn4 -","4","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.048","0.0337","","","0.0815","0.0873","","","","","","1.051","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210349","9.482","0.002","11.424","0.003","15.607","0.004","89.33","0.02","81.068","0.013","78.376","0.016","1635.5","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N4 O10 Zn -","- C31 H38 N4 O10 Zn -","- C62 H76 N8 O20 Zn2 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0754","0.0405","","","0.074","0.0773","","","","","","1.013","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210350","7.7047","0.0008","8.9034","0.0011","29.447","0.004","89.256","0.012","89.387","0.01","71.385","0.01","1914.1","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N7 O7 Zn -","- C40 H48 N7 O7 Zn -","- C80 H96 N14 O14 Zn2 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0533","0.0433","","","0.111","0.1179","","","","","","1.044","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210351","11.9409","0.0001","8.7538","0.0001","38.6259","0.0004","90","","95.216","0.001","90","","4020.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 Cd N6 O8 -","- C41 H49 Cd N6 O8 -","- C164 H196 Cd4 N24 O32 -","4","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.1142","0.0529","","","0.0873","0.1027","","","","","","1.002","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210352","9.7935","0.0004","12.1729","0.0006","18.9627","0.0009","78.802","0.003","89.871","0.003","70.511","0.003","2085.76","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Cd N6 O11 -","- C42 H53 Cd N6 O11 -","- C84 H106 Cd2 N12 O22 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0599","0.0404","","","0.0783","0.0857","","","","","","1.05","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210353","5.9474","0.0005","14.2294","0.0017","10.5393","0.0009","90","","94.768","0.008","90","","888.83","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C44 H36 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","0.71073","MoKα","","0.1012","0.0583","","","0.1315","0.1532","","","","","","1.057","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210354","7.63","0.0015","12.848","0.003","10.165","0.002","90","","101.01","0.03","90","","978.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","0.7385","","","0.0461","0.0438","","","0.1262","0.1286","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210355","11.1425","0.0003","15.6947","0.0004","14.6254","0.0005","90","","110.235","0.004","90","","2399.81","0.14","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26 H28 N4 O3 -","- C26 H28 N4 O3 -","- C104 H112 N16 O12 -","4","1","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0775","0.0593","","","0.1827","0.2012","","","","","","1.063","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210356","36.179","0.003","5.8548","0.0005","8.3919","0.0011","90","","102.225","0.009","90","","1737.3","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.1282","0.0975","","","0.2733","0.2803","","","","","","1.358","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210357","5.2593","0.0005","5.0366","0.0004","35.673","0.003","90","","91.355","0.008","90","","944.68","0.14","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0543","0.0391","","","0.109","0.1129","","","","","","1.105","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210358","5.1382","0.0001","7.0344","0.0001","29.416","0.0005","90","","93.937","0.001","90","","1060.71","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C52 H52 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0411","0.0374","","","0.11","0.1136","","","","","","1.065","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210359","7.3871","0.0015","16.445","0.003","9.992","0.002","90","","94.97","0.03","90","","1209.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd2 N4 O4 S4 -","- C20 H16 Cd2 N4 O4 S4 -","- C40 H32 Cd4 N8 O8 S8 -","2","0.5","","Zhang, Guoqi","Polymorphism in unusual one-dimensional coordination polymers based on cadmium(ii) and 2-mercaptopyridine N-oxide","CrystEngComm","2013","15","33","6453","","10.1039/c3ce40808f","","","0.71073","MoKα","","0.0349","0.0285","","","0.0678","0.07","","","","","","1.031","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210360","3.8452","0.0008","18.753","0.004","8.0557","0.0016","90","","93.49","0.03","90","","579.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cd N2 O2 S2 -","- C10 H8 Cd N2 O2 S2 -","- C20 H16 Cd2 N4 O4 S4 -","2","0.5","","Zhang, Guoqi","Polymorphism in unusual one-dimensional coordination polymers based on cadmium(ii) and 2-mercaptopyridine N-oxide","CrystEngComm","2013","15","33","6453","","10.1039/c3ce40808f","","","0.71073","MoKα","","0.0347","0.0307","","","0.082","0.0844","","","","","","1.026","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210361","43.577","0.003","7.6541","0.0005","21.0472","0.0013","90","","94.207","0.001","90","","7001.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H39 Co N6 O8 -","- C35 H39 Co N6 O8 -","- C280 H312 Co8 N48 O64 -","8","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.058","0.0408","","","0.1035","0.1102","","","","","","1.07","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210362","8.1724","0.001","11.1926","0.0014","15.0362","0.0019","76.094","0.002","89.461","0.002","89.015","0.002","1334.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Co N4 O9 -","- C26 H32 Co N4 O9 -","- C52 H64 Co2 N8 O18 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.1235","0.0875","","","0.1744","0.1866","","","","","","0.986","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210363","9.0708","0.0011","10.1621","0.0012","11.7772","0.0014","99.457","0.002","106.621","0.002","108.491","0.002","946.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Co N3 O8 -","- C17 H22 Co N3 O8 -","- C34 H44 Co2 N6 O16 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0601","0.0411","","","0.0956","0.1016","","","","","","1.002","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210364","6.913","0.0006","25.018","0.002","14.4591","0.0013","90","","96.337","0.002","90","","2485.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cu N4 O6 -","- C26 H26 Cu N4 O6 -","- C104 H104 Cu4 N16 O24 -","4","0.5","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0476","0.0367","","","0.0886","0.0946","","","","","","0.997","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210365","16.258","0.002","9.5904","0.0011","18.92","0.002","90","","102.346","0.002","90","","2881.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu N4 O10 -","- C26 H34 Cu N4 O10 -","- C104 H136 Cu4 N16 O40 -","4","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0755","0.0441","","","0.0959","0.1126","","","","","","0.957","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210366","11.3258","0.0013","15.6874","0.0018","18.231","0.002","67.24","0.002","76.216","0.002","80.258","0.002","2890.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 Cu2 N10 O19 -","- C52 H68 Cu2 N10 O19 -","- C104 H136 Cu4 N20 O38 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.1157","0.0608","","","0.1369","0.1627","","","","","","1.008","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210367","10.6425","0.0007","17.5482","0.0009","11.5193","0.0008","90","","141.11","0.003","90","","1350.65","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(pyridine)manganese(II)","","- C30 H28 Mn N2 O4 -","- C30 H28 Mn N2 O4 -","- C60 H56 Mn2 N4 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.058","0.0344","","","0.079","0.0834","","","","","","0.844","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210368","9.5507","0.0019","17.045","0.003","9.6962","0.0018","90","","110.425","0.018","90","","1479.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(pyridine)manganese(II)","","- C32 H32 Mn N2 O4 -","- C32 H32 Mn N2 O4 -","- C64 H64 Mn2 N4 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0955","0.0734","","","0.1943","0.2106","","","","","","1.145","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210369","13.5786","0.0008","13.5686","0.0012","18.24","0.002","90","","104.845","0.008","90","","3248.4","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(benzoylacetonato)bis(3,5-dimethylpyridine)manganese(II)","","- C34 H36 Mn N2 O4 -","- C34 H36 Mn N2 O4 -","- C136 H144 Mn4 N8 O16 -","4","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0748","0.0366","","","0.0876","0.095","","","","","","0.874","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210370","7.5573","0.0003","17.7535","0.0007","10.6145","0.0004","90","","101.146","0.003","90","","1397.27","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(benzoylacetonato)bis(3-aminopyridine)manganese(II)","","- C30 H30 Mn N4 O4 -","- C30 H30 Mn N4 O4 -","- C60 H60 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0623","0.0315","","","0.0668","0.0712","","","","","","0.907","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210371","7.3008","0.0006","17.1487","0.001","13.0737","0.0013","90","","113.591","0.007","90","","1500","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(2-amino-3-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0773","0.0345","","","0.0768","0.0838","","","","","","0.881","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210372","7.3129","0.0016","8.752","0.002","24.543","0.007","90","","90.83","0.02","90","","1570.6","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0963","0.0379","","","0.0839","0.0945","","","","","","0.832","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210373","10.161","0.0004","12.6475","0.0005","12.9842","0.0006","85.849","0.004","73.618","0.004","74.865","0.004","1545.34","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","cis-bis(Benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","1","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0769","0.0545","","","0.1495","0.1567","","","","","","1.024","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210374","9.0001","0.0007","12.7277","0.001","14.1367","0.0014","66.042","0.009","76.101","0.007","73.393","0.007","1403.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","cis-bis(benzoylacetonato)bis(2-aminopyridine)manganese(II)","","- C30 H30 Mn N4 O4 -","- C30 H30 Mn N4 O4 -","- C60 H60 Mn2 N8 O8 -","2","1","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0908","0.0364","","","0.0612","0.0677","","","","","","0.731","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210375","42.4912","0.0006","12.0468","0.0015","17.29","0.0007","90","","90","","90","","8850.5","1.2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H22 O8 -","- C24 H22 O8 -","- C384 H352 O128 -","16","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0501","0.0426","","","0.1047","0.1101","","","","","","1.045","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210376","10.332","0.0009","13.792","0.0011","17.331","0.0014","70.708","0.007","88.355","0.007","87.483","0.007","2328.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Na O19 Zn5 -","- C44 H26 O19 Zn5 -","- C88 H52 O38 Zn10 -","2","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.1018","0.0607","","","0.1329","0.1482","","","","","","0.971","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210377","13.137","0.0007","15.3527","0.0007","24.3497","0.0011","90","","105.103","0.005","90","","4741.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H43.5 N O15.25 Zn3 -","- C50 H32.5 N O15.25 Zn3 -","- C200 H130 N4 O61 Zn12 -","4","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.1089","0.0573","","","0.0983","0.1171","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210378","9.842","0.002","12.262","0.003","20.186","0.004","90","","97.577","0.019","90","","2414.8","0.9","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H40 N4 O16 Zn3 -","- C52 H40 N4 O16 Zn3 -","- C104 H80 N8 O32 Zn6 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0944","0.0656","","","0.162","0.1854","","","","","","1.056","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210379","9.852","0.0004","12.241","0.0005","20.209","0.0008","90","","97.445","0.004","90","","2416.63","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H40 Cd3 N4 O16 -","- C52 H40 Cd3 N4 O16 -","- C104 H80 Cd6 N8 O32 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0585","0.0369","","","0.0523","0.0574","","","","","","0.996","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210380","11.1595","0.0004","12.9301","0.0004","16.9715","0.0007","95.211","0.003","91.367","0.003","111.342","0.003","2267.24","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H74 O40 Pb7 -","- C88 H50 O40 Pb7 -","- C88 H50 O40 Pb7 -","1","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0802","0.054","","","0.1238","0.1436","","","","","","1.034","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210381","10.113","0.0011","24.003","0.003","10.318","0.0007","90","","97.813","0.008","90","","2481.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H34 N6 O15 Zn4 -","- C50 H24 N6 O15 Zn4 -","- C100 H48 N12 O30 Zn8 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0877","0.0526","","","0.1023","0.1193","","","","","","1.015","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210382","10.5387","0.0008","10.7309","0.0008","12.8111","0.0014","105.788","0.008","108.142","0.008","98.441","0.006","1281.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 N4 O16 Zn2 -","- C58 H42 N4 O16 Zn2 -","- C58 H42 N4 O16 Zn2 -","1","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0977","0.061","","","0.1192","0.1337","","","","","","1.018","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210383","23.296","0.001","10.993","0.0004","27.031","0.0009","90","","103.73","0.004","90","","6724.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H58 N8 O18 Zn3 -","- C72 H50 N8 O18 Zn3 -","- C288 H200 N32 O72 Zn12 -","4","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0788","0.0516","","","0.1186","0.132","","","","","","1.011","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210384","12.685","0.003","13.348","0.003","16.747","0.005","100.13","0.004","103.059","0.005","110.356","0.003","2487.2","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 Br2 O20 P10 S20 -","- C40 H100 Ag12 Br2 O20 P10 S20 -","- C40 H100 Ag12 Br2 O20 P10 S20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.0859","0.0555","","","0.1316","0.1545","","","","","","1.04","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210385","12.767","0.002","13.476","0.002","16.931","0.003","100.256","0.003","102.841","0.003","110.851","0.003","2546.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 I2 O20 P10 S20 -","- C40 H100 Ag12 I2 O20 P10 S20 -","- C40 H100 Ag12 I2 O20 P10 S20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.1181","0.0538","","","0.145","0.1784","","","","","","1.012","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210386","12.927","0.002","13.628","0.002","16.945","0.002","99.812","0.004","102.43","0.004","110.352","0.004","2633.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 I2 O20 P10 Se20 -","- C40 H100 Ag12 I2 O20 P10 Se20 -","- C40 H100 Ag12 I2 O20 P10 Se20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.1222","0.0585","","","0.1431","0.1895","","","","","","0.999","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210387","8.968","0.0003","10.388","0.0004","11.414","0.0004","99.427","0.003","112.791","0.002","90.988","0.003","963.25","0.06","298","2","298","2","","","","","","","Crystal Screening","6","P 1","P 1","1","lamivudine 4,5-dichloro hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one 4,5-dichloro hydrogen phthalate","","- C16 H15 Cl2 N3 O7 S -","- C16 H15 Cl2 N3 O7 S -","- C32 H30 Cl4 N6 O14 S2 -","2","2","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","x-ray","0.71073","MoKα","","0.0615","0.0451","","","0.1098","0.12","","","","","","1.019","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210388","5.311","0.0005","21.103","0.002","33.059","","90","","94.675","0.006","90","","3692.9","0.5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","lamivudine hydrogen hemihydrate phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen hemihydrate phthalate","","- C16 H18 N3 O7.5 S -","- C16 H18 N3 O7.5 S -","- C128 H144 N24 O60 S8 -","8","4","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","","0.71073","MoKα","","0.1503","0.065","","","0.1757","0.2532","","","","","","0.99","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210389","17.724","0.005","19.705","0.005","13.139","0.006","90","","127.496","0.002","90","","3641","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H20 N6 O10 Zn2 -","- C20 H18 N6 O10 Zn2 -","- C80 H72 N24 O40 Zn8 -","4","0.5","","Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","35","7031","","10.1039/c3ce40855h","","","0.71073","MoKα","","0.0515","0.0443","","","0.1415","0.1493","","","","","","1.08","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210390","8.23","0.004","21.274","0.01","14.195","0.007","90","","105.466","0.006","90","","2395","2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H21 N6 O9.5 Zn2 -","- C20 H20 N6 O9.5 Zn2 -","- C80 H80 N24 O38 Zn8 -","4","2","","Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","35","7031","","10.1039/c3ce40855h","","","0.71073","MoKα","","0.078","0.0566","","","0.1462","0.1663","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210391","17.9896","0.0007","12.2939","0.0004","23.8922","0.0009","90","","107.805","0.004","90","","5031","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu5(L1)4(MeOH)4](ClO4)2","","","- C40 H56 Cl2 Cu5 N8 O20 -","- C40 H56 Cl2 Cu5 N8 O20 -","- C160 H224 Cl8 Cu20 N32 O80 -","4","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0611","0.0423","","","0.0842","0.091","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210392","11.283","0.002","11.482","0.002","13.688","0.003","72.42","0.03","80.58","0.03","61.8","0.03","1489.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(py)2](ClO4)2.py","","","- C51 H55 Cl2 Cu5 N11 O16 -","- C51 H55 Cl2 Cu5 N11 O16 -","- C51 H55 Cl2 Cu5 N11 O16 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.045","0.0378","","","0.1089","0.1152","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210393","11.3067","0.0003","12.7372","0.0005","13.2511","0.0004","97.753","0.003","104.385","0.003","103.13","0.003","1762.79","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(py)6](ClO4)2","","","- C66 H70 Cl2 Cu5 N14 O16 -","- C66 H70 Cl2 Cu5 N14 O16 -","- C66 H70 Cl2 Cu5 N14 O16 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0348","0.0267","","","0.0644","0.0681","","","","","","1.063","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210394","11.3776","0.0007","12.6211","0.0009","12.6793","0.0008","90.229","0.006","107.558","0.006","104.589","0.006","1673.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(4,4-bpy)3](ClO4)2.H2O","","","- C66 H64 Cl2 Cu5 N14 O17 -","- C66 H64 Cl2 Cu5 N14 O17 -","- C66 H64 Cl2 Cu5 N14 O17 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0953","0.0696","","","0.1798","0.2254","","","","","","1.023","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210395","12.6809","0.0003","10.7919","0.0003","20.7122","0.0005","90","","100.018","0.002","90","","2791.27","0.12","149.8","","149.8","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu5]-tzp","","","- C48 H56 Cl2 Cu5 N12 O18 -","- C48 H56 Cl2 Cu5 N12 O18 -","- C96 H112 Cl4 Cu10 N24 O36 -","2","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0574","0.0379","","","0.0798","0.0874","","","","","","1.025","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210396","9.3958","0.0019","26.777","0.005","10.69","0.002","90","","100.54","0.03","90","","2644.1","0.9","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu5]","","","- C40 H47 Cl2 Cu5 N12 O20 -","- C40 H47 Cl2 Cu5 N12 O20 -","- C80 H94 Cl4 Cu10 N24 O40 -","2","1","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0746","0.0482","","","0.0686","0.0758","","","","","","0.963","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210397","11.064","0.0003","12.275","0.0004","17.2399","0.0006","110.321","0.003","96.075","0.003","96.316","0.002","2156.1","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","[Cu5]","","","- C32 H40 Cl2 Cu5 N8 O21 -","- C32 H40 Cl2 Cu5 N8 O20.99 -","- C64 H80 Cl4 Cu10 N16 O41.98 -","2","1","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0456","0.0322","","","0.0742","0.0795","","","","","","1.063","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210398","5.1041","0.0007","5.9092","0.0008","6.5261","0.001","96.484","0.012","103.696","0.013","101.969","0.011","184.34","0.05","298","2","298","2","","","","","","","","5","P 1","P 1","1","NAC","N-acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0532","0.0522","","","0.1418","0.1426","","","","","","1.105","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210399","6.0684","0.0006","7.6372","0.0009","16.005","0.002","90","","90","","90","","741.76","0.15","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NAC","N-Acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C20 H36 N4 O12 S4 -","4","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0718","0.0538","","","0.0864","0.0926","","","","","","1.109","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210400","19.8422","0.0006","13.8805","0.0004","17.235","0.0005","90","","101.477","0.001","90","","4651.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(adc)2].6H2O","","","- C44 H48 Mn2 N8 O14 -","- C44 H44 Mn2 N8 O14 -","- C176 H176 Mn8 N32 O56 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.0305","0.0267","","","0.068","0.071","","","","","","1.03","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210401","20.877","0.005","14.366","0.003","16.576","0.004","90","","106.014","0.003","90","","4778.5","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(fumarate)2].8H2O","","","- C44 H56 Mn2 N8 O16 -","- C44 H52 Mn2 N8 O16 -","- C176 H208 Mn8 N32 O64 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.0724","0.0445","","","0.1072","0.1186","","","","","","1.173","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210402","19.7966","0.0015","13.7795","0.0011","17.1799","0.0013","90","","101.871","0.003","90","","4586.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(succinate)2].6H2O","","","- C44 H56 Mn2 N8 O14 -","- C44 H52 Mn2 N8 O14 -","- C176 H208 Mn8 N32 O56 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.047","0.0462","","","0.1167","0.1174","","","","","","0.919","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210403","12.616","0.004","18.479","0.005","20.409","0.006","90","","90","","90","","4758","2","113","2","113","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C20 H27 Ag F6 N4 O1.5 P -","- C20 H22 Ag F6 N4 O1.5 P -","- C160 H176 Ag8 F48 N32 O12 P8 -","8","0.5","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0287","0.0276","","","0.078","0.079","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210404","20.903","0.004","10.785","0.003","21.922","0.007","90","","90.808","0.013","90","","4942","2","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complexes","","","- C42 H56 Ag2 F12 N8 O2 P2 -","- C42 H56 Ag2 F12 N8 O2 P2 -","- C168 H224 Ag8 F48 N32 O8 P8 -","4","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.1667","0.1235","","","0.2169","0.2438","","","","","","1.032","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210405","11.967","0.003","13.539","0.003","13.776","0.004","116.722","0.012","96.41","0.02","103.815","0.017","1873.2","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H74 Ag2 F12 N10 O2 P2 -","- C80 H74 Ag2 F12 N10 O2 P2 -","- C80 H74 Ag2 F12 N10 O2 P2 -","1","0.5","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0415","0.0345","","","0.0688","0.0713","","","","","","0.985","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210406","16.08","0.006","26.639","0.009","25.248","0.008","90","","98.115","0.006","90","","10707","6","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51.5 H48.25 Ag F6 N6.5 O1.75 P -","- C51.5 H41 Ag F6 N6.25 O1.755 P -","- C412 H328 Ag8 F48 N50 O14.04 P8 -","8","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.1036","0.0906","","","0.2328","0.2443","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210407","15.946","0.003","17.488","0.003","19.16","0.003","68.336","0.004","85.729","0.009","86.013","0.009","4946.7","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H100.5 Ag2 F12 N9.5 O4 P2 -","- C113 H100.5 Ag2 F12 N9.5 O4 P2 -","- C226 H201 Ag4 F24 N19 O8 P4 -","2","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0656","0.0543","","","0.1345","0.1423","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210408","12.733","0.002","15.734","0.003","19.262","0.004","83.265","0.008","80.083","0.008","70.44","0.006","3574.5","1.2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H82 Ag F6 N6 O3 P -","- C77 H79 Ag F6 N6 O3 P -","- C154 H158 Ag2 F12 N12 O6 P2 -","2","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0465","0.0414","","","0.1159","0.1189","","","","","","1.047","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210409","10.2882","0.0005","19.9728","0.0011","35.485","0.002","90","","93.483","0.005","90","","7278.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H37.57 Br K0.81 O12.19 Ru S32 -","- C52 H37 Br K0.81 O12.19 Ru S32 -","- C208 H148 Br4 K3.24 O48.76 Ru4 S128 -","4","0.5","","Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion","CrystEngComm","2013","15","35","7048","","10.1039/c3ce40919h","","","0.71073","MoKα","","0.0558","0.0431","","","0.0914","0.0969","","","","","","1.02","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210410","10.3683","0.0004","19.6056","0.0009","36.0834","0.0013","90","","90","","90","","7334.9","0.5","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H37.93 K0.69 N O12.31 Ru S32 -","- C53 H37 K0.69 N O12.31 Ru S32 -","- C212 H148 K2.76 N4 O49.24 Ru4 S128 -","4","0.5","","Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion","CrystEngComm","2013","15","35","7048","","10.1039/c3ce40919h","","","0.71073","MoKα","","0.0794","0.0522","","","0.1103","0.1201","","","","","","1.018","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210411","11.0756","0.0005","11.6861","0.0004","17.838","0.001","75.754","0.003","77.852","0.002","69.903","0.003","2081.34","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H50 N22 Ni2 O42 U4 -","- C62 H50 N22 Ni2 O42 U4 -","- C62 H50 N22 Ni2 O42 U4 -","1","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0665","0.0325","","","0.0498","0.0549","","","","","","0.898","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210412","14.6158","0.0009","16.9169","0.0005","27.9857","0.0017","90","","102.458","0.003","90","","6756.7","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 Mn N12 O28 U6 -","- C54 H48 Mn N12 O28 U6 -","- C216 H192 Mn4 N48 O112 U24 -","4","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0872","0.0384","","","0.0488","0.0559","","","","","","0.87","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210413","8.2664","0.0002","24.604","0.0009","25.7372","0.001","90","","91.575","0.002","90","","5232.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 N6 Ni O25 U2 -","- C46 H42 N6 Ni O25 U2 -","- C184 H168 N24 Ni4 O100 U8 -","4","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0557","0.0308","","","0.0507","0.0543","","","","","","0.954","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210414","12.8461","0.0006","13.7347","0.0007","13.6634","0.0005","90","","115.429","0.003","90","","2177.18","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N2 O14 U -","- C18 H18 Cu N2 O14 U -","- C72 H72 Cu4 N8 O56 U4 -","4","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.062","0.0368","","","0.076","0.0813","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210415","7.1039","0.0002","12.1625","0.0007","22.2182","0.0014","103.229","0.003","92.916","0.004","100.199","0.004","1830.82","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Cu N5 O21 U2 -","- C31 H23 Cu N5 O21 U2 -","- C62 H46 Cu2 N10 O42 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0438","0.0302","","","0.0625","0.0654","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210416","11.7697","0.0008","12.6971","0.001","15.9821","0.0007","86.772","0.005","79.231","0.005","63.746","0.004","2103.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N4 Ni O19 U2 -","- C32 H28 N4 Ni O19 U2 -","- C64 H56 N8 Ni2 O38 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.072","0.0393","","","0.0874","0.0944","","","","","","0.915","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210417","8.2402","0.0004","18.2164","0.0014","14.1658","0.0011","90","","91.122","0.004","90","","2126","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H32 Cu2 N6 O23 U2 -","- C34 H30 Cu2 N6 O23 U2 -","- C68 H60 Cu4 N12 O46 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.061","0.0545","","","0.1444","0.1483","","","","","","1.051","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210418","13.7551","0.0009","9.6373","0.0004","24.9546","0.0013","90","","92.515","0.004","90","","3304.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Mn N4 O15 U2 -","- C28 H22 Mn N4 O15 U2 -","- C112 H88 Mn4 N16 O60 U8 -","4","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0725","0.0474","","","0.1002","0.1077","","","","","","1.044","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210419","11.524","0.0011","12.878","0.0013","14.498","0.0014","107.331","0.001","107.397","0.001","94.717","0.001","1925","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu2 N12 O23 Si0.5 W6 -","- C20 H16 Cu2 N12 O23 Si0.5 W6 -","- C40 H32 Cu4 N24 O46 Si W12 -","2","1","","Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang","Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties","CrystEngComm","2013","15","36","7199","","10.1039/c3ce41008k","","","0.71069","MoKα","","0.07","0.0477","","","0.102","0.1122","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210420","23.867","","18.177","","22.425","","90","","90","","90","","9728.65","","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H56.5 Cu6.5 N36 O44 Si W12 -","- C60 H26 Cu6.5 N36 O44 Si W12 -","- C240 H104 Cu26 N144 O176 Si4 W48 -","4","1","","Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang","Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties","CrystEngComm","2013","15","36","7199","","10.1039/c3ce41008k","","","0.71073","MoKα","","0.048","0.0424","","","0.0952","0.0979","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210421","25.2998","0.0038","16.844","0.0027","7.88987","0.00081","90","","90","","90","","3362.3","0.8","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:acridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.018","2.421","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210422","27.7697","0.0034","15.4238","0.002","7.98164","0.00085","90","","90","","90","","3418.7","0.7","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:phenantridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.023","4.176","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210423","7.81238","0.00087","19.0241","0.0017","12.788","0.0014","90","","91.1378","0.0067","90","","1900.2","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorescein:pyrazine cocrystal","","","- C24 H16 N2 O5 -","- C24 H16 N2 O5 -","- C96 H64 N8 O20 -","4","1","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.028","1.692","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210424","8.6428","0.0003","19.627","0.0007","20.9268","0.0009","90","","98.748","0.004","90","","3508.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","1","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","1.54184","CuKα","","0.0573","0.0426","","","0.1066","0.1176","","","","","","1.026","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210425","27.6912","0.0012","15.3574","0.0009","7.8814","0.0004","90","","90","","90","","3351.7","0.3","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","0.71073","MoKα","","0.0521","0.0383","","","0.0756","0.0808","","","","","","0.972","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210426","7.606","0.0004","11.1161","0.0009","12.0927","0.0008","115.965","0.007","93.139","0.005","92.811","0.006","914.8","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N2 O12 -","- C46 H36 N2 O12 -","- C46 H36 N2 O12 -","1","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","0.71073","MoKα","","0.0721","0.0521","","","0.1379","0.1496","","","","","","1.055","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210427","8.7526","0.0008","12.8631","0.0011","14.0334","0.0014","67.419","0.009","86.643","0.008","74.314","0.008","1402.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N5 O7 -","- C12 H15 N5 O7 -","- C48 H60 N20 O28 -","4","2","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0682","0.0505","","","0.1236","0.1367","","","","","","1.061","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210428","8.1849","0.001","8.8476","0.0009","11.6567","0.0012","70.21","0.009","86.985","0.009","80.948","0.009","784.39","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N5 O7 -","- C13 H19 N5 O7 -","- C26 H38 N10 O14 -","2","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0442","0.0366","","","0.0947","0.1011","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210429","21.3178","0.0015","6.4895","0.0005","29.435","0.002","90","","103.906","0.008","90","","3952.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N5 O11 -","- C14 H21 N5 O11 -","- C112 H168 N40 O88 -","8","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0672","0.0471","","","0.123","0.1408","","","","","","0.981","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210430","15.4477","0.0008","15.7463","0.0008","6.4254","0.0003","90","","90","","90","","1562.94","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","KE14PCY13 4-HO-PhC(CN)=NOH, 2,3,5,6-Me4-pyridine-1-oxide","","- C16 H18 N4 O3 -","- C16 H18 N4 O3 -","- C64 H72 N16 O12 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0446","0.0384","","","0.1039","0.1095","","","","","","1.082","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210431","12.9863","0.0009","11.4938","0.0007","14.1061","0.0009","90","","105.555","0.002","90","","2028.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","KE14PCY20 4-HO-PhC(CN)=NOH, 1-[3-pyridylmethyl]-5,6-dimethylbenzimidazole","","- C23 H21 N5 O2 -","- C23 H21 N5 O2 -","- C92 H84 N20 O8 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0725","0.0532","","","0.1425","0.1558","","","","","","1.073","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210432","6.178","0.0003","16.1233","0.0009","16.2481","0.0009","85.088","0.002","87.986","0.003","81.153","0.002","1592.94","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","KEPCY17 4-HO-PhC(CN)=NOH, [1-(4-pyridylmethyl)-5,6-dimethylbenzimidazole]2","","- C38 H36 N8 O2 -","- C38 H36 N8 O2 -","- C76 H72 N16 O4 -","2","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0784","0.0569","","","0.1541","0.1714","","","","","","1.072","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210433","12.1479","0.0008","12.4551","0.0009","13.6598","0.001","90","","105.563","0.003","90","","1991","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N5 O2 -","- C23 H19 N5 O2 -","- C92 H76 N20 O8 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","1.54178","CuKα","","0.0936","0.0394","","","0.1298","0.1405","","","","","","1.087","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210434","5.5844","0.0004","12.341","0.0009","12.6218","0.001","69.286","0.004","89.334","0.005","78.144","0.005","794.5","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","KEPC11 4-HO-PhC(CN)=NOH, 4,4'-bipyridyl-1-oxide","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C36 H28 N8 O6 -","2","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","1.54178","CuKα","","0.0561","0.0466","","","0.1273","0.1372","","","","","","1.082","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210435","16.2099","0.0006","11.0498","0.0004","12.7896","0.0005","90","","103.183","0.002","90","","2230.45","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl N2 O S2 -","- C26 H23 Cl N2 O S2 -","- C104 H92 Cl4 N8 O4 S8 -","4","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0495","0.035","","","0.0836","0.0916","","","","","","1.048","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210436","7.6912","0.0005","9.0394","0.0006","11.8022","0.0008","105.136","0.003","107.797","0.003","94.983","0.003","741.66","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C36 H32 N4 O4 S2 -","2","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0467","0.0364","","","0.1006","0.1081","","","","","","1.063","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210437","7.354","0.007","10.16","0.009","11.44","0.011","106.88","0.03","98.32","0.04","93.54","0.04","804.4","1.3","152","2","152","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 N O S2 -","- C21 H13 N O S2 -","- C42 H26 N2 O2 S4 -","2","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0484","0.0371","","","0.0932","0.0998","","","","","","1.035","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210438","16.6265","0.0017","5.0888","0.0004","20.302","0.0015","90","","103.401","0.008","90","","1671","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Cl N O S -","- C21 H12 Cl N O S -","- C84 H48 Cl4 N4 O4 S4 -","4","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.1899","0.0589","","","0.1003","0.1357","","","","","","0.966","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210439","10.5666","0.0016","23.405","0.003","11.4006","0.0015","90","","101.661","0.002","90","","2761.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N6 O4 Zn -","- C28 H30 N6 O4 Zn -","- C112 H120 N24 O16 Zn4 -","4","1","","Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu","Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands","CrystEngComm","2013","15","36","7161","","10.1039/c3ce41127c","","","0.71073","MoKα","","0.0714","0.0416","","","0.0988","0.1126","","","","","","1.03","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210440","11.9375","0.0013","11.9375","0.0013","17.2686","0.0018","90","","90","","120","","2131.2","0.4","296","2","296","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","1","0.166667","","Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu","Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands","CrystEngComm","2013","15","36","7161","","10.1039/c3ce41127c","","","0.71073","MoKα","","0.0527","0.0379","","","0.0971","0.111","","","","","","0.905","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210441","8.5555","0.0003","6.8611","0.0003","12.8473","0.0005","90","","97.594","0.002","90","","747.52","0.05","110","2","110","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C13 H16 Co N2 O10 -","- C13 H16 Co N2 O10 -","- C26 H32 Co2 N4 O20 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0307","0.0262","","","0.0678","0.0708","","","","","","1.093","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210442","16.2119","0.0004","10.9173","0.0003","15.7225","0.0004","90","","90","","90","","2782.73","0.12","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H12 Cu N2 O8 -","- C13 H12 Cu N2 O8 -","- C104 H96 Cu8 N16 O64 -","8","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0444","0.0368","","","0.0922","0.0965","","","","","","1.014","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210443","8.0452","0.0002","12.6682","0.0004","18.8489","0.0006","90","","94.329","0.001","90","","1915.57","0.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cd N3 O8 -","- C17 H19 Cd N3 O8 -","- C68 H76 Cd4 N12 O32 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.034","0.0288","","","0.0696","0.0719","","","","","","1.009","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210444","7.9621","0.0002","12.726","0.0004","18.3006","0.0006","90","","90","","90","","1854.32","0.1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cd N3 O8 -","- C17 H19 Cd N3 O8 -","- C68 H76 Cd4 N12 O32 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0305","0.0291","","","0.077","0.0781","","","","","","1.036","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210445","10.7873","0.0002","26.9072","0.0005","22.3486","0.0003","90","","101.173","0.001","90","","6363.87","0.19","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 Co4 N9 O27 -","- C54 H41 Co4 N9 O27 -","- C216 H164 Co16 N36 O108 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0394","0.0296","","","0.071","0.0739","","","","","","1.037","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210446","10.5259","0.0005","11.6385","0.0006","14.308","0.0006","105.079","0.002","103.924","0.002","100.717","0.002","1583.9","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Mn2 N4 O13 -","- C26 H18 Mn2 N4 O13 -","- C52 H36 Mn4 N8 O26 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0701","0.0657","","","0.1929","0.1952","","","","","","1.04","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210447","14.2941","0.0004","16.7256","0.0005","15.4016","0.0004","90","","115.904","0.002","90","","3312.22","0.17","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Cd2 N5 O15.5 -","- C30 H29 Cd2 N5 O15.5 -","- C120 H116 Cd8 N20 O62 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0775","0.0498","","","0.1157","0.1292","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210448","11.116","0","5.81","0","46.919","0.001","90","","90","","90","","3030.21","0.06","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 Na O6 S -","- C13 H8 N2 Na O6 S -","- C104 H64 N16 Na8 O48 S8 -","8","1","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco","Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites.","Physical chemistry chemical physics : PCCP","2013","15","32","13418","13433","10.1039/c3cp51235e","","","0.71073","MoKα","","0.2403","0.1192","","","0.2176","0.2497","","","","","","1.066","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210449","15.4283","0.001","9.8446","0.0003","12.3063","0.0007","90","","109.738","0.007","90","","1759.33","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N3 Na O3 S -","- C15 H20 N3 Na O3 S -","- C60 H80 N12 Na4 O12 S4 -","4","1","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco","Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites.","Physical chemistry chemical physics : PCCP","2013","15","32","13418","13433","10.1039/c3cp51235e","","","0.71073","MoKα","","0.0859","0.0564","","","0.1545","0.1828","","","","","","1.033","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210450","6.4063","0.001","8.1667","0.0013","23.311","0.004","90","","90","","90","","1219.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(HCaf)(HSO4)","Caffeinium Hydrogensulfate","","- C8 H12 N4 O6 S -","- C8 H12 N4 O6 S -","- C32 H48 N16 O24 S4 -","4","1","","Mottillo, Cristina; Lu, Yuneng; Pham, Minh-Hao; Cliffe, Matthew J.; Do, Trong-On; Friščić, Tomislav","Mineral neogenesis as an inspiration for mild, solvent-free synthesis of bulk microporous metal‒organic frameworks from metal (Zn, Co) oxides","Green Chemistry","2013","15","8","2121","","10.1039/c3gc40520f","","","0.71073","MoKα","","0.0712","0.043","","","0.0897","0.1006","","","","","","0.955","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210451","7.3073","0.0003","7.1368","0.0003","15.6263","0.0007","90","","91.452","0.002","90","","814.66","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cl N O2 -","- C8 H6 Cl N O2 -","- C32 H24 Cl4 N4 O8 -","4","1","","Deadman, Benjamin J.; Battilocchio, Claudio; Sliwinski, Eric; Ley, Steven V.","A prototype device for evaporation in batch and flow chemical processes","Green Chemistry","2013","15","8","2050","","10.1039/c3gc40967h","","","0.71073","MoKα","","0.0625","0.0541","","","0.1546","0.1594","","","","","","1.085","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210452","15.0238","0.0016","11.6122","0.001","20.9195","0.0019","90","","90","","90","","3649.6","0.6","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H14 Cl3 N6 O P S3 -","- C9 H12 Cl3 N6 O P S3 -","- C72 H96 Cl24 N48 O8 P8 S24 -","8","1","","García-Álvarez, Rocío; Zablocka, Maria; Crochet, Pascale; Duhayon, Carine; Majoral, Jean-Pierre; Cadierno, Victorio","Thiazolyl-phosphine hydrochloride salts: effective auxiliary ligands for ruthenium-catalyzed nitrile hydration reactions and related amide bond forming processes in water","Green Chemistry","2013","15","9","2447","","10.1039/c3gc41201f","","","0.71073","MoKα","","0.0953","0.0588","","0.0941","0.0708","0.0708","","","","","","1.1169","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210558","9.1069","0.0012","10.5452","0.0013","13.5137","0.0017","100.441","0.001","102.85","0.001","102.922","0.001","1196.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 La2 O15 S3 -","- C18 H12 La2 O15 S3 -","- C36 H24 La4 O30 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0197","0.0179","","","0.0446","0.0459","","","","","","1.001","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210559","9.0148","0.0015","10.4259","0.0018","13.458","0.002","100.259","0.002","102.113","0.002","103.114","0.002","1170.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 O15 Pr2 S3 -","- C18 H12 O15 Pr2 S3 -","- C36 H24 O30 Pr4 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0237","0.0216","","","0.0554","0.0568","","","","","","1.059","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210560","9.0536","0.0011","10.4806","0.0012","13.4765","0.0016","100.386","0.001","102.395","0.001","103.042","0.001","1181","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Ce2 O15 S3 -","- C18 H12 Ce2 O15 S3 -","- C36 H24 Ce4 O30 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0229","0.021","","","0.0514","0.0526","","","","","","1.052","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210561","11.042","0.0007","42.906","0.001","15.604","0.003","90","","97.004","0.001","90","","7337.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H64 N12 O22 Zn3 -","- C68 H48 N12 O14 Zn3 -","- C272 H192 N48 O56 Zn12 -","4","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1055","0.0624","","","0.1658","0.182","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210562","16.6","0.0006","9.298","0.0006","43.166","0.003","90","","100.424","0.001","90","","6552.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 N12 O18 Zn3 -","- C68 H44 N12 O18 Zn3 -","- C272 H176 N48 O72 Zn12 -","4","0.5","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1117","0.0531","","","0.1335","0.1721","","","","","","0.989","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210563","12.834","0.0012","16.313","0.0015","17.983","0.0017","73.818","0.001","82.768","0.001","67.562","0.001","3341.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N12 O18 Zn3 -","- C68 H48 N12 O18 Zn3 -","- C136 H96 N24 O36 Zn6 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.0985","0.0525","","","0.1185","0.1396","","","","","","0.972","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210564","8.703","0.001","10.52","0.0012","11.84","0.0013","81.291","0.002","76.006","0.002","88.202","0.002","1039.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N2 O8 Zn -","- C22 H17 N2 O8 Zn -","- C44 H34 N4 O16 Zn2 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.0942","0.0543","","","0.1408","0.1795","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210565","10.068","0.004","10.373","0.004","14.022","0.006","78.26","0.006","83.303","0.006","67.218","0.006","1320.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N4 O8 Zn2 -","- C28 H20 N4 O8 Zn2 -","- C56 H40 N8 O16 Zn4 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1055","0.0671","","","0.1746","0.2118","","","","","","1.033","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210566","8.029","0.0002","9.8549","0.0003","14.3776","0.0004","90","","90","","90","","1137.63","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Ag N3 P S -","- C6 H12 Ag N3 P S -","- C24 H48 Ag4 N12 P4 S4 -","4","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0294","0.0258","","","0.0548","0.0559","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210567","9.5475","0.0003","11.44","0.0003","13.2092","0.0004","90","","109.974","0.001","90","","1355.97","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H32 Ag4 N6 O12 P2 S4 -","- C12 H32 Ag4 N6 O12 P2 S4 -","- C24 H64 Ag8 N12 O24 P4 S8 -","2","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0161","0.016","","","0.0401","0.0402","","","","","","1.034","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210568","7.003","0.003","9.8","0.004","10.744","0.004","63.29","0.004","87.998","0.005","70.983","0.004","617.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 F6 N12 O3 Si Zn -","- C20 H22 F6 N12 O3 Si Zn -","- C20 H22 F6 N12 O3 Si Zn -","1","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0848","0.0553","","","0.1223","0.1496","","","","","","1.053","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210569","7.555","0.0005","9.5468","0.0006","10.3006","0.0006","113.679","0.001","91.987","0.001","104.327","0.001","651.67","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cd F6 N12 O4 Si -","- C20 H22 Cd F6 N12 O4 Si -","- C20 H22 Cd F6 N12 O4 Si -","1","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0398","0.0365","","","0.0788","0.0815","","","","","","1.08","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210570","10.135","0.003","13.562","0.004","20.655","0.006","90","","90","","90","","2839","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br2 N6 O Zn -","- C10 H10 Br2 N6 O Zn -","- C80 H80 Br16 N48 O8 Zn8 -","8","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1206","0.0717","","","0.1684","0.1937","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210571","8.905","0.003","11.572","0.004","14.981","0.004","90","","120.87","0.014","90","","1325.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd N14 O2 S2 -","- C22 H20 Cd N14 O2 S2 -","- C44 H40 Cd2 N28 O4 S4 -","2","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0747","0.0493","","","0.1081","0.1212","","","","","","1.063","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210572","14.287","0.011","22.046","0.016","8.268","0.006","90","","98.563","0.01","90","","2575","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 B2 Cd F8 N12 -","- C20 H16 B2 Cd F8 N12 -","- C80 H64 B8 Cd4 F32 N48 -","4","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1698","0.091","","","0.2301","0.2697","","","","","","1.061","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210573","14.327","0.003","22.105","0.005","8.3039","0.0019","90","","98.79","0.003","90","","2598.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cd Cl2 N12 O8 -","- C20 H16 Cd Cl2 N12 O8 -","- C80 H64 Cd4 Cl8 N48 O32 -","4","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1165","0.0573","","","0.1195","0.1446","","","","","","1.011","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210574","20.5262","0.0016","20.5262","0.0016","20.152","0.003","90","","90","","120","","7353","1.4","173","2","173","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C60 H48 Cd3 N36 -","- C60 H48 Cd3 N36 -","- C180 H144 Cd9 N108 -","3","0.0833333","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.049","0.0428","","","0.1254","0.1285","","","","","","1.082","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210575","7.2608","0.0015","11.973","0.002","9.6567","0.0019","90","","98.88","0.03","90","","829.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C36 H24 Cl4 N4 O8 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","An investigation into the substituent effect of halogen atoms on the crystal structures of indole-3-carboxylic acid (ICA)","CrystEngComm","2013","15","37","7490","","10.1039/c3ce40952j","","","0.71073","MoKα","","0.1783","0.1691","","","0.3918","0.3962","","","","","","1.187","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210576","12.025","0.005","19.464","0.008","15.323","0.005","90","","126.97","0.02","90","","2865","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Mo8 N16 O26 -","- C32 H52 Mo8 N16 O26 -","- C64 H104 Mo16 N32 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.025","0.0223","","","0.0557","0.0568","","","","","","1.06","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210577","17.379","0.003","10.932","0.002","24.384","0.004","90","","134.332","0.008","90","","3313.7","1.1","","","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Mo8 N20 O26 -","- C40 H64 Mo8 N20 O26 -","- C80 H128 Mo16 N40 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.1302","0.1255","","","","0.3351","","","","","","1.183","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210578","11.3366","0.0013","11.3529","0.0013","11.3639","0.0014","72.391","0.002","71.058","0.002","80.06","0.002","1314","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Mo8 N12 O26 -","- C30 H52 Mo8 N12 O26 -","- C30 H52 Mo8 N12 O26 -","1","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0276","0.0234","","","0.0576","0.0604","","","","","","1.027","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210579","12.1992","0.0004","23.5887","0.0006","11.8092","0.0004","90","","109.758","0.003","90","","3198.19","0.18","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Mo8 N16 O26 -","- C40 H52 Mo8 N16 O26 -","- C80 H104 Mo16 N32 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.053","0.0402","","","0.1025","0.1104","","","","","","1.015","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210580","10.1921","0.0004","21.5036","0.0009","15.3277","0.0005","90","","120.334","0.002","90","","2899.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Mo8 N12 O26 -","- C36 H60 Mo8 N12 O26 -","- C72 H120 Mo16 N24 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.027","0.0219","","","0.0728","0.1049","","","","","","1.232","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210581","12.5903","0.0018","11.8542","0.0016","24.806","0.003","90","","100.449","0.002","90","","3640.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Mo8 N16 O28 -","- C48 H60 Mo8 N16 O28 -","- C96 H120 Mo16 N32 O56 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.15","0.085","","","0.2152","0.268","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210582","15.878","0.003","10.1503","0.0019","16.704","0.003","90","","115.779","0.003","90","","2424.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H96 Mo9 N32 O32 S3 -","- C64 H96 Mo8.996 N32 O32 S3.004 -","- C64 H96 Mo8.996 N32 O32 S3.004 -","1","0.25","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.115","0.0734","","","0.1772","0.2803","","","","","","1.231","","","","has coordinates,has disorder","287939","2023-12-01","16:52:17",""
"7210583","11.6102","0.0009","11.6102","0.0009","19.4306","0.0014","90","","90","","120","","2268.3","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Mo N6 O3 -","- C12 H18 Mo N6 O3 -","- C72 H108 Mo6 N36 O18 -","6","0.333333","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0442","0.038","","","0.0663","0.0706","","","","","","1.119","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210584","9.6874","0.0007","18.8238","0.0014","10.3652","0.0006","90","","102.994","0.007","90","","1841.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 Mo3 N12 O9 -","- C30 H36 Mo3 N12 O9 -","- C60 H72 Mo6 N24 O18 -","2","1","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0973","0.0599","","","0.078","0.0867","","","","","","1","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210585","11.3955","0.0004","12.1907","0.0005","12.5537","0.0005","65.085","0.004","74.281","0.003","75.437","0.003","1503.55","0.11","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H67 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0733","0.0702","","","0.186","0.1881","","","","","","1.03","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210586","11.4202","0.0005","12.2341","0.0006","12.6593","0.0007","64.764","0.005","73.918","0.004","75.541","0.004","1519.57","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H51 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.067","0.0607","","","0.158","0.1634","","","","","","1.089","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210587","46.988","0.003","12.2367","0.0003","23.1895","0.0006","90","","104.813","0.004","90","","12890.3","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H72 Cu3 Ge N12 O51.5 Tb W11 -","- C14 H51 Cu3 Ge N12 O51.5 Tb W11 -","- C112 H408 Cu24 Ge8 N96 O412 Tb8 W88 -","8","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0986","0.0717","","","0.1811","0.2014","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210588","41.5173","0.0015","12.1282","0.0004","23.1543","0.001","90","","90.93","0.004","90","","11657.4","0.8","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H102 Cu4 N16 Na2 O98 P2 Sm2 W22 -","- C20 H66 Cu4 N16 Na2 O98 P2 Sm2 W22 -","- C80 H264 Cu16 N64 Na8 O392 P8 Sm8 W88 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0928","0.0763","","","0.1945","0.2077","","","","","","1.023","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210589","5.1601","0.0002","7.6565","0.0003","9.1728","0.0003","74.888","0.003","84.185","0.003","71.767","0.002","332.23","0.02","296","","296","","","","","","","","see text","5","P -1","-P 1","2","","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","1","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora","Can self-assembly of copper(ii) picolinamide building blocks be controlled?","CrystEngComm","2013","15","40","8074","","10.1039/c3ce41011k","","x-ray","0.71073","MoKα","","0.0355","0.032","","","0.0968","0.1003","","","","","","1.053","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210590","24.077","0.0005","6.552","0.0001","19.6808","0.0005","90","","102.133","0.002","90","","3035.34","0.11","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Cu2 N8 O12 -","- C24 H22 Cl2 Cu2 N8 O12 -","- C96 H88 Cl8 Cu8 N32 O48 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora","Can self-assembly of copper(ii) picolinamide building blocks be controlled?","CrystEngComm","2013","15","40","8074","","10.1039/c3ce41011k","","x-ray","0.71073","MoKα","","0.0397","0.0288","","","0.0742","0.0764","","","","","","0.944","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210591","14.789","0.002","14.789","0.002","17.044","0.003","90","","90","","90","","3727.8","1","153","2","153","2","","","","","","","","5","P -4","P -4","81","complex1","","","- C65 H67 N11 O22 Zn4 -","- C65 H67 N11 O22 Zn4 -","- C130 H134 N22 O44 Zn8 -","2","0.5","","Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui","Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand","CrystEngComm","2013","15","40","8069","","10.1039/c3ce41034j","","","0.71073","MoKα","","0.0848","0.0641","","","0.1685","0.1828","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210592","10.508","0.002","10.684","0.002","12.276","0.003","112.1","0.03","104.75","0.03","90.29","0.03","1227","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","complex2","","","- C44 H54 N6 O20 Zn4 -","- C44 H54 N6 O20 Zn4 -","- C44 H54 N6 O20 Zn4 -","1","0.5","","Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui","Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand","CrystEngComm","2013","15","40","8069","","10.1039/c3ce41034j","","","0.71073","MoKα","","0.0351","0.0263","","","0.063","0.0657","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210593","10.6882","0.0015","10.6882","0.0015","16.036","0.003","90","","90","","90","","1831.9","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H10 Cd F2 N10 O2 -","- C16 H10 Cd F2 N10 O2 -","- C64 H40 Cd4 F8 N40 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0229","0.0228","","","0.0488","0.0489","","","","","","1.132","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210594","18.118","0.003","18.118","0.003","17.507","0.003","90","","90","","120","","4976.9","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H30 Cd3 N36 O18 -","- C48 H30 Cd3 N36 O18 -","- C144 H90 Cd9 N108 O54 -","3","0.166667","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0446","0.0435","","","0.0765","0.0769","","","","","","1.304","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210595","10.877","0.002","10.898","0.002","14.101","0.003","90","","90","","90","","1671.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cd N10 O2 S2 -","- C12 H8 Cd N10 O2 S2 -","- C48 H32 Cd4 N40 O8 S8 -","4","1","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.021","0.0209","","","0.0541","0.0542","","","","","","1.097","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210596","10.5749","0.0015","10.5749","0.0015","16.256","0.003","90","","90","","90","","1817.9","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 Cd N12 O2 -","- C14.04 H10 Cd N12.008 O2 -","- C56.16 H40 Cd4 N48.032 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0581","0.0479","","","0.1112","0.1159","","","","","","1.066","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210597","12.6283","0.0013","14.9622","0.0017","18.9869","0.0016","90","","123.236","0.005","90","","3000.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Mn2 N2 O11 -","- C32 H30 Mn2 N2 O11 -","- C128 H120 Mn8 N8 O44 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.1039","0.0608","","","0.1682","0.2031","","","","","","1.083","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210598","12.646","0.003","14.834","0.004","18.979","0.003","90","","123.145","0.011","90","","2981","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Mn2 N2 O11 -","- C30 H30 Mn2 N2 O11 -","- C120 H120 Mn8 N8 O44 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.0893","0.0568","","","0.1839","0.2621","","","","","","1.045","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210599","12.463","0.002","7.4574","0.0013","29.451","0.006","90","","96.324","0.003","90","","2720.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Mn2 N2 O10 -","- C28 H24 Mn2 N2 O10 -","- C112 H96 Mn8 N8 O40 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.0825","0.0449","","","0.1221","0.1705","","","","","","1.017","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210600","10.122","0.002","11.522","0.003","12.223","0.003","67.343","0.004","88.969","0.005","71.665","0.004","1240","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 N12 O20 Zn2 -","- C38 H46.4 N12 O20 Zn2 -","- C38 H46.4 N12 O20 Zn2 -","1","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.1178","0.0838","","","0.1985","0.2129","","","","","","1.093","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210601","10.1946","0.0017","17.174","0.003","22.85","0.004","90","","90.227","0.004","90","","4000.6","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N12 O16 Zn3 -","- C32 H24 N12 O16 Zn3 -","- C128 H96 N48 O64 Zn12 -","4","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0693","0.0564","","","0.1343","0.1411","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210602","10.168","0.003","10.872","0.003","12.335","0.003","96.229","0.004","111.668","0.004","107.805","0.004","1168.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cd N6 O8 -","- C19 H20 Cd N6 O8 -","- C38 H40 Cd2 N12 O16 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.047","0.0406","","","0.0972","0.1017","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210603","9.5581","0.0004","10.3024","0.0005","11.8449","0.0005","83.516","0.004","70.759","0.004","69.978","0.004","1034.67","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N6 O6 Zn -","- C21 H16 N6 O6 Zn -","- C42 H32 N12 O12 Zn2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0362","0.031","","","0.071","0.0733","","","","","","1.052","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210604","9.341","0.0004","12.5779","0.0006","14.0193","0.0005","103.842","0.004","105.081","0.003","99.784","0.004","1496.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 Cd N12 O24 -","- C60 H46 Cd N12 O24 -","- C60 H46 Cd N12 O24 -","1","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0345","0.0295","","","0.0658","0.0687","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210605","11.364","0.005","6.636","0.003","12.345","0.005","90","","106.424","0.004","90","","893","0.7","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F3 N O3 -","- C18 H20 F3 N O3 -","- C36 H40 F6 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Mikata, Yuji","Crystal structures of Mosher's salt and ester elucidated by X-ray crystallography","CrystEngComm","2013","15","40","8088","","10.1039/c3ce41160e","","","0.7107","MoKα","","","0.0371","","","","0.0896","","","","","","1.105","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210606","50.5752","0.0014","50.5752","0.0014","12.5528","0.0002","90","","90","","120","","27806.5","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C47 H78 Cl N25 O27 -","- C47 H52.39 Cl N25 O26.9893 -","- C846 H943.02 Cl18 N450 O485.808 -","18","1","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0836","0.0722","","","0.196","0.2047","","","","","","1.039","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210607","18.1241","0.0003","16.4081","0.0002","21.0869","0.0003","90","","98.917","0.001","90","","6195.08","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H78 Cl2 Mg0.5 N25 O27 -","- C47 H54 Cl2 Mg0.5 N25 O26.732 -","- C188 H216 Cl8 Mg2 N100 O106.928 -","4","1","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0743","0.0676","","","0.1934","0.201","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210608","22.1854","0.0002","15.9734","0.0002","22.9981","0.0003","90","","105.02","0.0011","90","","7871.53","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H214 Ca2 Cl4 N50 O83 -","- C94 H108 Ca2 Cl4 N50 O83.038 -","- C188 H216 Ca4 Cl8 N100 O166.076 -","2","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0934","0.0859","","","0.2439","0.2505","","","","","","1.012","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210609","12.8817","0.0008","14.0348","0.0008","14.256","0.0008","63.351","0.001","71.012","0.001","76.078","0.001","2164.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Al F6 I3 N3 O7 -","- C39 H32 Al F6 I3 N3 O7 -","- C78 H64 Al2 F12 I6 N6 O14 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione ‒ a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.042","0.036","","","","0.073","","","","","","0.905","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210610","7.142","0.006","7.388","0.006","14.672","0.013","81.132","0.015","78.539","0.015","62.6","0.012","671.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","HacacPy-TFDIB","","","- C13 H11 F2 I N O2 -","- C13 H11 F2 I N O2 -","- C26 H22 F4 I2 N2 O4 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione – a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0811","0.055","","","0.1243","0.135","","","","","","0.955","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210611","7.633","0.0004","16.4167","0.0008","18.6385","0.0009","113.341","0.0006","98.4034","0.0007","95.2702","0.0007","2092.38","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Fe(acacPy)3 - TFDIB","","","- C37 H31 Cl3 F4 Fe I2 N3 O6 -","- C37 H31 Cl3 F4 Fe I2 N3 O6 -","- C74 H62 Cl6 F8 Fe2 I4 N6 O12 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione – a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0431","0.0336","","","0.0799","0.0856","","","","","","1.046","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210612","12.8817","0.0008","14.0348","0.0008","14.256","0.0008","63.3512","0.0008","71.0117","0.0008","76.0783","0.0008","2164.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Al F6 I3 N3 O7 -","- C39 H32 Al F6 I3 N3 O7 -","- C78 H64 Al2 F12 I6 N6 O14 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione ‒ a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0978","0.0542","","","0.1022","0.1175","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210613","5.8451","0.0003","7.7034","0.0004","34.6478","0.0016","90","","91.116","0.002","90","","1559.8","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N3 O2 S -","- C17 H16 N3 O2 S -","- C68 H64 N12 O8 S4 -","4","1","","Martins, Inês; Martins, Marta; Fernandes, Auguste; André, Vânia; Duarte, M. Teresa","An insight into dapsone co-crystals: sulfones as participants in supramolecular interactions","CrystEngComm","2013","15","40","8173","","10.1039/c3ce41323c","","","0.71073","MoKα","","0.0689","0.0498","","","0.1236","0.1315","","","","","","1.056","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210614","8.27","0.0006","37.058","0.003","5.9595","0.0004","90","","99.089","0.004","90","","1803.5","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 S -","- C18 H23 N3 O3 S -","- C72 H92 N12 O12 S4 -","4","1","","Martins, Inês; Martins, Marta; Fernandes, Auguste; André, Vânia; Duarte, M. Teresa","An insight into dapsone co-crystals: sulfones as participants in supramolecular interactions","CrystEngComm","2013","15","40","8173","","10.1039/c3ce41323c","","","0.71073","MoKα","","0.1363","0.0581","","","0.1003","0.1167","","","","","","0.951","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210615","7.0582","0.0013","17.577","0.003","8.5676","0.0016","90","","101.257","0.002","90","","1042.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0714","0.0537","","","0.1209","0.1299","","","","","","1.198","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210616","14.032","0.008","19.114","0.01","4.625","0.003","90","","90","","90","","1240.5","1.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0986","0.0469","","","0.1037","0.1272","","","","","","1.011","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210617","13.554","0.002","21.511","0.003","4.517","0.0007","90","","90","","90","","1317","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H16 N4 O3 -","- C11 H16 N4 O3 -","- C44 H64 N16 O12 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0561","0.0381","","","0.1036","0.118","","","","","","0.829","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210618","32.702","0.003","32.702","0.003","32.702","0.003","90","","90","","90","","34972","6","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C60 H48 N30 O18 Zn3 -","- C60 H48 N30 O18 Zn3 -","- C960 H768 N480 O288 Zn48 -","16","0.0833333","","Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao","Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties","CrystEngComm","2013","15","40","8139","","10.1039/c3ce41364k","","","0.71073","MoKα","","0.0867","0.0862","","","0.2419","0.2426","","","","","","1.068","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210619","21.703","0.003","20.062","0.003","22.121","0.003","90","","108.799","0.002","90","","9118","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 Cl4 N18 O16 Zn2 -","- C45 H36 Cl4 N18 O16 Zn2 -","- C180 H144 Cl16 N72 O64 Zn8 -","4","1","","Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao","Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties","CrystEngComm","2013","15","40","8139","","10.1039/c3ce41364k","","","0.71073","MoKα","","0.0549","0.0488","","","0.1425","0.1481","","","","","","0.976","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210620","13.4896","0.0014","13.4896","0.0014","6.7343","0.0018","90","","90","","90","","1225.4","0.4","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 P S4 -","- C28 H16 F6 P S4 -","- C56 H32 F12 P2 S8 -","2","0.25","","Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko","A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.","Physical chemistry chemical physics : PCCP","2013","15","41","17818","17822","10.1039/c3cp52881b","","","0.71069","MoKα","","","0.0392","","","","0.1368","","","","","","0.854","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210621","13.407","0.005","13.407","0.005","6.638","0.006","90","","90","","90","","1193.2","1.2","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 P S4 -","- C28 H16 F6 P S4 -","- C56 H32 F12 P2 S8 -","2","0.25","","Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko","A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.","Physical chemistry chemical physics : PCCP","2013","15","41","17818","17822","10.1039/c3cp52881b","","","0.71069","MoKα","","","0.0438","","","","0.1291","","","","","","0.951","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210622","10.118","0.003","13.083","0.003","16.308","0.005","79.427","0.011","89.959","0.013","69.619","0.009","1984.6","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H10 N4 O S2 -","- C73 H10 N4 O S2 -","- C146 H20 N8 O2 S4 -","2","1","","Yang, Pingao; Chen, Shan; Liu, Yu; Xiao, Zuo; Ding, Liming","A pyridine-functionalized pyrazolinofullerene used as a buffer layer in polymer solar cells.","Physical chemistry chemical physics : PCCP","2013","15","40","17076","17078","10.1039/c3cp53426j","","","0.71073","MoKα","","0.1351","0.1241","","","0.315","0.3271","","","","","","1.099","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210623","13.1218","0.001","20.9009","0.0017","20.6305","0.0016","90","","90","","90","","5658.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H22 Cd N6 O5 -","- C32 H22 Cd N6 O5 -","- C256 H176 Cd8 N48 O40 -","8","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0605","0.0398","","","0.0832","0.0909","","","","","","1.075","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210624","8.6115","0.0007","13.5673","0.0011","13.2854","0.0011","90","","106.616","0.001","90","","1487.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cd N3 O4 -","- C17 H10 Cd N3 O4 -","- C68 H40 Cd4 N12 O16 -","4","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0268","0.0241","","","0.06","0.0613","","","","","","1.055","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210625","19.926","0.007","22.305","0.008","11.721","0.004","90","","116.127","0.004","90","","4677","3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H10 N3 O4.5 Zn -","- C17 H10 N3 O4.505 Zn -","- C136 H80 N24 O36.04 Zn8 -","8","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0649","0.0566","","","0.1856","0.1943","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210626","7.8497","0.0007","14.0717","0.0013","13.8997","0.0011","90","","109.381","0.004","90","","1448.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cu N3 O4 -","- C17 H10 Cu N3 O4 -","- C68 H40 Cu4 N12 O16 -","4","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0521","0.0421","","","0.1019","0.1078","","","","","","1.059","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210627","7.409","0.005","9.176","0.005","15.771","0.005","96.032","0.005","94.122","0.005","109.011","0.005","1001.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Mn N2 O5 -","- C19.95 H19.85 Mn N2 O4.99 -","- C39.9 H39.7 Mn2 N4 O9.98 -","2","1","","Kar, Paramita; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Formation of two drastically different MOFs based on Mn(ii)‒benzoate and pyrazine with a change in seasonal temperature: structural analysis and magnetic study","CrystEngComm","2013","15","2","400","","10.1039/c2ce26258d","","","0.71073","MoKα","","0.0715","0.0646","","","0.2098","0.2193","","","","","","1.075","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210628","15.997","0.005","15.389","0.005","28.622","0.005","90","0.005","95.335","0.005","90","0.005","7016","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H58 Mn5 N2 O22 -","- C74 H58 Mn5 N2 O22 -","- C296 H232 Mn20 N8 O88 -","4","0.5","","Kar, Paramita; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Formation of two drastically different MOFs based on Mn(ii)‒benzoate and pyrazine with a change in seasonal temperature: structural analysis and magnetic study","CrystEngComm","2013","15","2","400","","10.1039/c2ce26258d","","","0.71073","MoKα","","0.0681","0.0494","","","0.1458","0.155","","","","","","1.131","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210629","10.614","0.002","12.316","0.003","20.809","0.004","90","","104.34","0.03","90","","2635.4","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 La O15 P4 -","- C20 H23 La O15 P4 -","- C80 H92 La4 O60 P16 -","4","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0277","0.0193","","","0.0483","0.0543","","","","","","1.009","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210630","22.492","0.003","8.066","0.001","15.534","0.002","90","","91.5","0.01","90","","2817.2","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H16 O8 P2 -","- C11 H16 O8 P2 -","- C88 H128 O64 P16 -","8","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0434","0.0275","","","0.0648","0.0759","","","","","","1.024","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210631","16.2835","0.0005","7.8798","0.0002","19.1588","0.0005","90","","90","","90","","2458.28","0.12","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 O6 P2 -","- C11 H12 O6 P2 -","- C88 H96 O48 P16 -","8","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0973","0.0447","","","0.1058","0.1271","","","","","","1.002","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210632","9.2113","0.0002","26.5836","0.0005","6.8556","0.0001","90","","96.74","0.002","90","","1667.13","0.05","295","2","295","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H39 La O21 P4 -","- C22 H38 La O21 P4 -","- C44 H76 La2 O42 P8 -","2","0.5","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0181","0.0173","","","0.0413","0.0417","","","","","","1.028","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210633","23.267","0.004","4.886","0.001","12.329","0.002","90","","93.18","0.01","90","","1399.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O8 P2 -","- C10 H14 O8 P2 -","- C40 H56 O32 P8 -","4","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.1113","0.0441","","","0.0783","0.0947","","","","","","1.016","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210634","6.0078","0.0004","16.9401","0.0012","13.0061","0.0008","90","","116.158","0.003","90","","1188.1","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O5 S Sr -","- C9 H9 N O5 S Sr -","- C36 H36 N4 O20 S4 Sr4 -","4","1","","Chen, Qian; Guo, Ping-Chun; Zhao, Shun-Ping; Liu, Jian-Lan; Ren, Xiao-Ming","A rhombus channel metal‒organic framework comprised of Sr2+ and thiophene-2, 5-dicarboxylic acid exhibiting novel dielectric bistability","CrystEngComm","2013","15","6","1264","","10.1039/c2ce26450a","","","0.71073","MoKα","","0.0331","0.0239","","","0.0569","0.0592","","","","","","1.056","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210635","9.6317","0.0006","10.0666","0.0006","13.223","0.0008","100.815","0.001","108.214","0.001","102.074","0.001","1145.87","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N3 O4 Zn -","- C27 H20 N3 O4 Zn -","- C54 H40 N6 O8 Zn2 -","2","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0475","0.039","","","0.0894","0.0928","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210636","28.3656","0.0016","11.4712","0.0006","18.2929","0.001","90","","102.876","0.001","90","","5802.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Co N4 O5 -","- C33 H28 Co N4 O5 -","- C264 H224 Co8 N32 O40 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0554","0.0428","","","0.118","0.1245","","","","","","1.005","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210637","28.676","0.004","11.7344","0.0015","17.82","0.003","90","","101.202","0.002","90","","5882.1","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 Cd N3 O4 -","- C30 H21 Cd N3 O4 -","- C240 H168 Cd8 N24 O32 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0653","0.0448","","","0.1301","0.1413","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210638","11.972","0.003","12.043","0.004","27.792","0.008","90","","99.959","0.004","90","","3947","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N5 O4 Zn -","- C38 H27 N5 O4 Zn -","- C152 H108 N20 O16 Zn4 -","4","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0915","0.0756","","","0.2144","0.232","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210639","25.0837","0.0011","8.7814","0.0004","22.6654","0.001","90","","91.853","0.001","90","","4989.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 Co N2 O4 -","- C28 H19 Co N2 O4 -","- C224 H152 Co8 N16 O32 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0559","0.0492","","","0.1376","0.1436","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210640","4.84119","0.00015","31.5272","0.001","7.9505","0.0003","90","","93.844","0.003","90","","1210.75","0.07","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N -","- C14 H14 Cl N -","- C56 H56 Cl4 N4 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKa","","","0.0929","","","","0.2658","","","","","","1.04","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210641","18.1754","0.0004","6.91256","0.00013","25.7534","0.0005","90","","110.555","0.0009","90","","3029.63","0.11","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 Cl3 N2 O4 -","- C28 H28 Cl3 N2 O4 -","- C112 H112 Cl12 N8 O16 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0741","","","","0.2346","","","","","","1.064","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210642","4.8772","0.0002","16.2559","0.0007","18.5704","0.0008","80.839","0.003","87.297","0.002","84.649","0.003","1446.43","0.11","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16.5 Cl1.5 N O -","- C14 H14 Cl1.5 N O -","- C56 H56 Cl6 N4 O4 -","4","2","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0884","","","","0.1799","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210643","4.70335","0.00013","32.1116","0.0009","8.1926","0.0003","90","","98.0162","0.0019","90","","1225.26","0.07","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Br Cl N -","- C13 H11 Br Cl N -","- C52 H44 Br4 Cl4 N4 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0658","","","","0.1743","","","","","","1.108","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210644","4.79","0.0001","8.28058","0.00017","16.2189","0.0004","105.827","0.0014","91.591","0.0013","98.634","0.0014","610.31","0.02","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","2","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0449","","","","0.1981","","","","","","1.206","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210645","5.0232","0.0003","7.3643","0.0003","17.3038","0.0008","92.657","0.003","91.992","0.003","92.424","0.004","638.42","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl F3 N -","- C14 H11 Cl F3 N -","- C28 H22 Cl2 F6 N2 -","2","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0631","","","","0.1487","","","","","","0.992","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210646","12.996","0.005","22.878","0.005","13.696","0.005","90","0.005","93.972","0.005","90","0.005","4062","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Cu N5 O4 -","- C17 H31 Cu N5 O4 -","- C136 H248 Cu8 N40 O32 -","8","2","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71069","MoKα","","0.1157","0.0556","","","0.1376","0.1729","","","","","","1.025","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210647","11.135","","13.601","","14.886","","90","","96.37","","90","","2240.52","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cu2 N10 O10 -","- C38 H50 Cu2 N10 O10 -","- C76 H100 Cu4 N20 O20 -","2","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0905","0.0468","","","0.1006","0.1153","","","","","","0.981","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210648","13.536","","9.938","","16.885","","90","","90","","90","","2271.38","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cd N5 O4 -","- C19 H23 Cd N5 O4 -","- C76 H92 Cd4 N20 O16 -","4","1","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.1166","0.05","","","0.1023","0.1341","","","","","","0.822","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210649","23.396","0.005","6.654","0.005","23.775","0.005","90","","112.26","0.03","90","","3425","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H46 Ag2 Cu N8 O16 -","- C20 H46 Ag2 Cu N8 O16 -","- C80 H184 Ag8 Cu4 N32 O64 -","4","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0983","0.0633","","","0.1701","0.2182","","","","","","1.106","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210650","16.435","","7.076","","20.06","","90","","107.66","","90","","2222.92","","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C14 H20 Cd Cu N2 O14 -","- C14 H18 Cd Cu N2 O14 -","- C56 H72 Cd4 Cu4 N8 O56 -","4","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0929","0.0771","","","0.2406","0.2592","","","","","","1.07","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210651","6.7098","0.0013","21.342","0.004","13.358","0.004","90","","106.86","0.03","90","","1830.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co3 N20 O4 -","- C28 H28 Co3 N20 O4 -","- C56 H56 Co6 N40 O8 -","2","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0368","0.0307","","","0.0755","0.0785","","","","","","1.056","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210652","10.1598","0.0002","10.1598","0.0002","14.4082","0.0005","90","","90","","90","","1487.24","0.07","293","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C14 H12 N10 Zn -","- C14 H12 N10 Zn -","- C56 H48 N40 Zn4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0316","0.0241","","","0.0613","0.0653","","","","","","1.047","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210653","9.6538","0.0011","6.8521","0.0007","12.5458","0.001","90","","106.164","0.006","90","","797.08","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Ag N5 -","- C7 H6 Ag N5 -","- C28 H24 Ag4 N20 -","4","1","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.052","0.0386","","","0.1012","0.1075","","","","","","1.1","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210654","12.0719","0.0006","7.3729","0.0004","10.1929","0.0005","90","","106.434","0.001","90","","870.15","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Co N4 O3 -","- C8 H6 Co N4 O3 -","- C32 H24 Co4 N16 O12 -","4","1","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0276","0.024","","","0.0606","0.0624","","","","","","1.054","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210655","17.362","0.015","7.135","0.006","7.475","0.006","90","","90","","90","","926","1.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H4 N4 O2 Pb -","- C8 H4 N4 O2 Pb -","- C32 H16 N16 O8 Pb4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0307","0.03","","","0.0762","0.0766","","","","","","1.112","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210656","17.4047","0.0013","26.943","0.002","17.9892","0.0015","90","","106.941","0.004","90","","8069.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(bis(μ~9~-(5,5',5'',5'''-((Adamantane-1,3,5,7-tetrayl)- tetra-(phen-4-yl))-tetrakistetrazolato))- bis-(μ~2~-chloro)-tetraaqua-tetrakisdimethylformamido- penta-manganese(ii) dimethylformamide and water solvate )","","- C109 H147 Cl2 Mn5 N43 O18 -","- C117.922 H70 Cl2 Mn5 N43.458 O17.5 -","- C235.844 H140 Cl4 Mn10 N86.916 O35 -","2","0.5","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Baburin, Igor A.; Ott, Holger; Gil-Hernández, Beatriz; Sanchiz, Joaquín; Janiak, Christoph","A rare alb-4,8-Cmce metal‒coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane","CrystEngComm","2013","15","6","1235","","10.1039/c2ce26819a","","","0.71073","MoKα","","0.1289","0.0994","","","0.2659","0.2919","","","","","","1.081","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7210657","22.6358","0.0007","19.0353","0.0005","27.9879","0.0011","90","","110.636","0.002","90","","11285.7","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[{μ~5~- pentahydrogen((adamant-1,3,5,7-tetrayl)-phen-4-yl)- tetraphosphonate-O,O',O'',O''',O'''')- -triaqua-lantanum(iii)} water and methanol solvate]","","- C34 H39 La O15 P4 -","- C36.35 H27.808 La O17.8 P4 -","- C290.8 H222.464 La8 O142.4 P32 -","8","1","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Baburin, Igor A.; Ott, Holger; Gil-Hernández, Beatriz; Sanchiz, Joaquín; Janiak, Christoph","A rare alb-4,8-Cmce metal‒coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane","CrystEngComm","2013","15","6","1235","","10.1039/c2ce26819a","","","0.71073","MoKα","","0.1627","0.0994","","","0.2592","0.3014","","","","","","1.051","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210658","18.5326","0.0014","13.145","0.0014","14.9863","0.0016","90","","122.453","0.003","90","","3080.7","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Co-mellitate-MeOH","","","- C14 H48 Co3 O34 -","- C14 H34 Co3 O30 -","- C56 H136 Co12 O120 -","4","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0294","0.0243","","","0.0628","0.0658","","","","","","1.04","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210659","24.165","0.004","9.0577","0.0012","16.073","0.002","90","","100.167","0.004","90","","3462.8","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cobalt-mellitate","","","- C12 H12 Co3 O18 -","- C12 H12 Co3 O18 -","- C96 H96 Co24 O144 -","8","1","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0262","0.021","","","0.0544","0.0572","","","","","","1.05","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210660","20.8707","0.0017","6.4205","0.0005","16.0526","0.0013","90","","122.827","0.001","90","","1807.6","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Co4(mel)(OH)2(H2O)]6(H2O)","","","- C12 H14 Co4 O20 -","- C12 H14 Co4 O20 -","- C48 H56 Co16 O80 -","4","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0295","0.0212","","","0.0445","0.0473","","","","","","1.059","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210661","15.7969","0.0008","20.9803","0.0011","20.0682","0.001","90","","96.453","0.002","90","","6608.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mn-bpy-mellitate","","","- C64 H52.17 Mn4 N8 O32.08 -","- C64 H52 Mn4 N8 O32.088 -","- C256 H208 Mn16 N32 O128.352 -","4","1","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","1.54178","CuKα","","0.0392","0.0314","","","0.0718","0.0756","","","","","","1.025","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210662","9.0764","0.0003","21.9597","0.0008","16.5364","0.0006","90","","94.617","0.002","90","","3285.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Mn2(H2mel)(phen)2(H2O)2)","","","- C72 H44 Mn4 N8 O28 -","- C72 H44 Mn4 N8 O28 -","- C144 H88 Mn8 N16 O56 -","2","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","1.54178","CuKα","","0.0522","0.0458","","","0.1121","0.1154","","","","","","1.056","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210663","9.931","0.0018","10.078","0.0019","19.577","0.004","99.024","0.002","93.008","0.003","103.845","0.002","1870.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2-(4-Dimethylaminostylbyl)idene malonic acid dimethyl ester","2-(4-Dimethylaminostylbyl)idene malonic acid dimethyl ester","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","2","","Coluccini, Carmine; Sharma, Arvind K.; Caricato, Marco; Sironi, Angelo; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Botta, Chiara; Forni, Alessandra; Pasini, Dario","Switching of emissive and NLO properties in push-pull chromophores with crescent PPV-like structures.","Physical chemistry chemical physics : PCCP","2013","15","5","1666","1674","10.1039/c2cp43140h","","","0.71073","MoKα","","0.1438","0.0539","","","0.098","0.1275","","","","","","0.951","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210664","10.8756","0.0005","16.1912","0.0007","20.1235","0.0008","90","","94.485","0.007","90","","3532.7","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Kamino, Shinichiro; Muranaka, Atsuya; Murakami, Miho; Tatsumi, Asana; Nagaoka, Noriyuki; Shirasaki, Yoshinao; Watanabe, Keiko; Yoshida, Kengo; Horigome, Jun; Komeda, Seiji; Uchiyama, Masanobu; Enomoto, Shuichi","A red-emissive aminobenzopyrano-xanthene dye: elucidation of fluorescence emission mechanisms in solution and in the aggregate state.","Physical chemistry chemical physics : PCCP","2013","15","6","2131","2140","10.1039/c2cp43503a","","","1.54187","CuKα","","0.1113","0.0814","","","0.2629","0.3082","","","","","","1","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210665","8.3587","0.0005","11.358","0.0006","16.6543","0.0009","71.237","0.001","81.473","0.001","86.107","0.001","1480.21","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(2,2'-bipyridyl)dicopper(II) trifluoromethanesulfonate","","- C24 H22 Cu2 F6 N4 O10 S2 -","- C24 H22 Cu2 F6 N4 O10 S2 -","- C48 H44 Cu4 F12 N8 O20 S4 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0368","0.0325","","","0.0871","0.0894","","","","","","1.064","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210666","8.0321","0.0006","11.1208","0.0008","16.9976","0.0012","87.467","0.004","88.341","0.004","79.509","0.004","1491.11","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-formato-kappa2-O1,O2-bis(4,4'-dimethyl-2,2'-bipyridyl) dicopper(II) perchlorate","","- C25 H28 Cl2 Cu2 N4 O12 -","- C25 H28 Cl2 Cu2 N4 O12 -","- C50 H56 Cl4 Cu4 N8 O24 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0356","0.0283","","","0.0827","0.0953","","","","","","1.099","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210667","8.4364","0.0005","11.008","0.0007","17.0555","0.001","94.232","0.001","92.777","0.001","95.28","0.001","1570.45","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(2,2'-bipyridyl) dicopper(II) perchlorate","","- C26 H30 Cl2 Cu2 N4 O12 -","- C26 H30 Cl2 Cu2 N4 O12 -","- C52 H60 Cl4 Cu4 N8 O24 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0333","0.0301","","","0.0811","0.0832","","","","","","1.046","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210668","8.2136","0.0003","16.5961","0.0006","22.9861","0.0009","90","","95.828","0.001","90","","3117.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(5,5'-dimethyl-2,2'-bipyridyl) dicopper(II) perchlorate","","- C26 H30 Cl2 Cu2 N4 O12 -","- C26 H30 Cl2 Cu2 N4 O12 -","- C104 H120 Cl8 Cu8 N16 O48 -","4","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0325","0.0292","","","0.0785","0.0806","","","","","","1.049","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210669","8.66","0.001","12.712","0.002","16.826","0.002","71.42","0.01","89.94","0.01","75.56","0.01","1694.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-trimethylacetato-kappa2-O1,O2- bis(5,5'-dimethyl-2,2'-bipyridyl)dicopper(II) percholrate","","- C29 H35 Cl2 Cu2 N4 O12 -","- C29 H35 Cl2 Cu2 N4 O12 -","- C58 H70 Cl4 Cu4 N8 O24 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.09","0.0778","","","0.1758","0.1835","","","","","","1.267","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210670","9.1312","0.0006","17.4262","0.0011","22.0653","0.0014","90","","90.562","0.003","90","","3510.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(5,5'-dimethyl-2,2'-bipyridyl) dicopper(II) trifluoromethanesulfonate","","- C28 H30 Cu2 F6 N4 O10 S2 -","- C28 H30 Cu2 F6 N4 O10 S2 -","- C112 H120 Cu8 F24 N16 O40 S8 -","4","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.081","0.0652","","","0.1436","0.1534","","","","","","1.147","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210671","9.1519","0.0006","12.255","0.0008","16.5318","0.001","104.155","0.002","92.966","0.002","97.551","0.002","1775.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-propionato-kappa2-O1,O2- bis(5,5'-dimethyl-2,2'-bipyridyl)dicopper(II) trifluoromethanesulfonate","","- C29 H32 Cu2 F6 N4 O10 S2 -","- C29 H32 Cu2 F6 N4 O10 S2 -","- C58 H64 Cu4 F12 N8 O20 S4 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0476","0.0424","","","0.1197","0.1265","","","","","","1.057","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210672","8.0832","0.001","8.7332","0.0008","9.2121","0.0008","80.892","0.008","71.071","0.01","74.681","0.009","591.4","0.11","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","1","0.5","","Arcís-Castillo, Zulema; Piñeiro-López, Lucía; Muñoz, M. Carmen; Ballesteros, Rafael; Abarca, Belén; Real, José Antonio","Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]","CrystEngComm","2013","15","17","3455","","10.1039/c3ce00003f","","","0.71073","MoKα","","0.093","0.0568","","","0.121","0.1524","","","","","","0.916","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210673","8.19","0.003","8.861","0.003","9.396","0.002","80.68","0.03","71.62","0.03","76.25","0.03","625.7","0.4","325","1","325","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","1","0.5","","Arcís-Castillo, Zulema; Piñeiro-López, Lucía; Muñoz, M. Carmen; Ballesteros, Rafael; Abarca, Belén; Real, José Antonio","Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]","CrystEngComm","2013","15","17","3455","","10.1039/c3ce00003f","","","0.71073","MoKα","","0.1049","0.0655","","","0.1207","0.1787","","","","","","0.931","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210674","17.1875","0.0002","17.1875","0.0002","12.1717","0.0002","90","","90","","90","","3595.64","0.08","2","2","2","2","","","","","","","AF18","4","I -4","I -4","82","","","","- C36 H72 Mn12 O56 -","- C36 H72 Mn12 O56 -","- C72 H144 Mn24 O112 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","x-ray","0.71073","MoKα","K-L~3~","0.0408","0.0366","","","0.0888","0.0907","","","","","","1.077","","","","has coordinates,has disorder","288544","2023-12-24","01:38:19",""
"7210675","17.235","0.004","17.235","0.004","12.038","0.003","90","","90","","90","","3575.8","1.5","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H64 Mn12 O52 -","- C32 H64 Mn12 O52 -","- C64 H128 Mn24 O104 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0458","0.0434","","0.0372","0.0329","0.0332","","","","","","1.1297","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7210676","16.0506","0.0012","16.0506","0.0012","11.9067","0.0012","90","","90","","90","","3067.4","0.4","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H56 Mn12 O48 -","- C32 H56 Mn12 O48 -","- C64 H112 Mn24 O96 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0234","0.0223","","0.0459","0.045","0.0457","","","","","","0.9668","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7210677","21.1177","0.0016","14.9308","0.0011","8.8929","0.0007","90","","90","","90","","2804","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C26 H16 Mn N14 S2 -","- C26 H16 Mn N14 S2 -","- C104 H64 Mn4 N56 S8 -","4","","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.0595","0.0379","","","0.092","0.1029","","","","","","1.037","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210678","15.637","0.005","5.627","0.005","16.468","0.005","90","0.005","116.561","0.005","90","0.005","1296.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Mn N6 O6 -","- C28 H26 Mn N6 O6 -","- C56 H52 Mn2 N12 O12 -","2","0.5","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.0429","0.0329","","","0.0824","0.0875","","","","","","1.048","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210679","11.336","0.005","12.249","0.005","13.784","0.005","85.864","0.005","67.811","0.005","74.415","0.005","1706.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 Mn3 N12 O12 -","- C66 H46 Mn3 N12 O12 -","- C66 H46 Mn3 N12 O12 -","1","0.5","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.1196","0.0581","","","0.136","0.1639","","","","","","0.903","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210680","11.0483","0.0006","20.7209","0.0011","22.0818","0.0014","115.715","0.006","99.403","0.005","90.774","0.004","4473.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Co4 N4 O22 -","- C52 H40 Co4 N4 O22 -","- C104 H80 Co8 N8 O44 -","2","1","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.1145","0.0645","","","0.1639","0.1842","","","","","","0.881","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210681","16.783","0.0013","14.1889","0.001","18.6834","0.0014","90","","97.743","0.001","90","","4408.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 Ni2 O11 -","- C26 H20 N2 Ni2 O11 -","- C104 H80 N8 Ni8 O44 -","4","0.5","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.0691","0.043","","","0.1034","0.111","","","","","","0.816","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210682","16.846","0.012","14.179","0.01","18.754","0.014","90","","97.701","0.01","90","","4439","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Co0.94 N2 Ni1.06 O11 -","- C26 H20 Co0.94 N2 Ni1.06 O11 -","- C104 H80 Co3.76 N8 Ni4.24 O44 -","4","0.5","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.1235","0.0761","","","0.2046","0.2232","","","","","","0.988","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210683","24.401","0.004","24.401","0.004","11.5733","0.0018","90","","90","","120","","5967.6","1.7","173","2","173","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C12 H31 Cu3 N7 O8 -","- C12 H24 Cu3 N7 O8 -","- C108 H216 Cu27 N63 O72 -","9","0.5","","Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties","CrystEngComm","2013","15","17","3484","","10.1039/c3ce00070b","","","0.71073","MoKα","","0.0615","0.0555","","","0.1499","0.1568","","","","","","1.132","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210684","24.9131","0.0014","24.9131","0.0014","10.8608","0.0012","90","","90","","120","","5837.8","0.8","173","2","173","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C9 H24 Cu3 N6 O9 -","- C9 H24 Cu3 N6 O9 -","- C81 H216 Cu27 N54 O81 -","9","0.5","","Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties","CrystEngComm","2013","15","17","3484","","10.1039/c3ce00070b","","","0.71073","MoKα","","0.0711","0.0658","","","0.1866","0.1902","","","","","","1.154","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210685","51.5597","0.0007","58.692","0.0008","3.381","","90","","90","","90","","10231.4","0.2","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- B8 Cd7 Na2 O20 -","- B8 Cd7 Na2 O20 -","- B192 Cd168 Na48 O480 -","24","1.5","","Zhou, Lin; Pan, Shilie; Dong, Xiaoyu; Yu, Hongwei; Wu, Hongping; Zhang, Fangfang; Zhou, Zhongxiang","Na2Cd7B8O20: a new noncentrosymmetric compound with special [B3O7] units","CrystEngComm","2013","15","17","3412","","10.1039/c3ce26587k","","","0.71073","MoKα","","0.0507","0.0412","","","0.1016","0.1074","","","","","","1.063","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210686","32.44","0.005","38.7","0.005","14.781","0.005","90","0.005","90","0.005","90","0.005","18556","7","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C52 H36 Cd N10 S2 -","- C52 H36 Cd N10 S2 -","- C832 H576 Cd16 N160 S32 -","16","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0457","0.0398","","","0.1191","0.1262","","","","","","1.017","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210687","13.46","0.005","25.921","0.005","7.34","0.005","90","0.005","95.017","0.005","90","0.005","2551","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Hg N6 S2 -","- C27 H18 Hg N6 S2 -","- C108 H72 Hg4 N24 S8 -","4","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0334","0.0264","","","0.065","0.0681","","","","","","1.032","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210688","17.794","0.005","18.67","0.005","14.665","0.005","90","0.005","96.751","0.005","90","0.005","4838","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br2 Hg N4 -","- C25 H18 Br2 Hg N4 -","- C200 H144 Br16 Hg8 N32 -","8","2","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.1023","0.0424","","","0.0793","0.1065","","","","","","0.991","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210689","13.334","0.005","26.776","0.005","7.767","0.005","90","0.005","100.081","0.005","90","0.005","2730","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Hg I2 N4 -","- C25 H18 Hg I2 N4 -","- C100 H72 Hg4 I8 N16 -","4","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0494","0.0452","","","0.1415","0.1454","","","","","","1.075","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210690","12.194","0.005","12.533","0.005","15.864","0.005","86.325","0.005","71.489","0.005","87.781","0.005","2293.9","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 Co N10 O S2 -","- C53 H40 Co N10 O S2 -","- C106 H80 Co2 N20 O2 S4 -","2","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0487","0.0392","","","0.1297","0.1442","","","","","","1.087","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210691","8.2456","0.0018","8.2456","0.0018","33.852","0.011","90","","90","","90","","2301.6","1","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H14 Cd N2 O8 S2 -","- C22 H14 Cd N2 O8 S2 -","- C88 H56 Cd4 N8 O32 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.0176","0.0176","","","0.0471","0.0471","","","","","","1.077","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210692","19.1466","0.0019","16.2759","0.0016","13.1959","0.0013","90","","95.905","0.001","90","","4090.4","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N2 O7 S -","- C18 H18 Cd N2 O7 S -","- C144 H144 Cd8 N16 O56 S8 -","8","1","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.0411","0.0271","","","0.0546","0.0593","","","","","","1.024","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210693","13.6833","0.0019","10.995","0.0016","16.252","0.002","90","","92.354","0.002","90","","2443","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 Cd2 N6 O8 S2 -","- C51 H46 Cd2 N6 O8 S2 -","- C102 H92 Cd4 N12 O16 S4 -","2","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.1367","0.0588","","","0.1292","0.1949","","","","","","1.027","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210694","9.2965","0.0012","8.9901","0.0012","16.812","0.002","90","","96.943","0.01","90","","1394.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H26 N2 O10 -","- C34 H26 N2 O10 -","- C68 H52 N4 O20 -","2","1","","Jana, Poulami; Maity, Suman Kumar; Bera, Santu; Ghorai, Pradip Kumar; Haldar, Debasish","Hierarchical self-assembly of naphthalene bisimides to fluorescent microspheres and fluoride sensing","CrystEngComm","2013","15","13","2512","","10.1039/c3ce26700h","","","1.54178","CuKα","","0.0359","0.0319","","","0.0782","0.0807","","","","","","1.049","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210695","22.128","0.013","28.524","0.016","29.033","0.018","90","","90","","90","","18325","19","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 N3 O7 Y -","- C24 H12 N3 O7 Y -","- C768 H384 N96 O224 Y32 -","32","1","","Zhang, Huabin; Lin, Ping; Zou, Guodong; Shan, Xiaochen; Du, Fenglei; Du, Shaowu","An unusual highly connected 3D net with hydrophilic pore surface","CrystEngComm","2013","15","15","3016","","10.1039/c3ce26788a","","","0.71073","MoKα","","0.1045","0.087","","","0.2005","0.2113","","","","","","1.033","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210696","10.4354","0.0011","11.5091","0.0012","12.1928","0.0012","80.05","0.001","70.954","0.001","73.524","0.001","1322.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O17 Zn3 -","- C24 H22 O17 Zn3 -","- C48 H44 O34 Zn6 -","2","1","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0521","0.0451","","","0.1052","0.1122","","","","","","1.013","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210697","9.3898","0.0007","19.8601","0.0014","17.9499","0.0011","90","","110.534","0.003","90","","3134.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N8 O16 Zn2 -","- C56 H54 N8 O16 Zn2 -","- C112 H108 N16 O32 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0933","0.0733","","","0.2195","0.2376","","","","","","1.072","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210698","7.7","0.004","7.867","0.004","19.442","0.009","85.133","0.006","88.43","0.006","88.495","0.006","1172.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O13 Zn -","- C24 H20 O13 Zn -","- C48 H40 O26 Zn2 -","2","1","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1289","0.0907","","","0.2414","0.289","","","","","","0.984","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210699","20.334","0.002","15.2784","0.0016","8.0062","0.0009","90","","105.844","0.001","90","","2392.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 O14 Zn2 -","- C24 H14 O14 Zn2 -","- C96 H56 O56 Zn8 -","4","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0658","0.0404","","","0.1087","0.1287","","","","","","0.899","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210700","8.7504","0.001","10.7138","0.0012","21.673","0.002","93.144","0.002","100.882","0.002","112.205","0.002","1829.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 Co2 N2 O32 -","- C76 H60 Co2 N2 O32 -","- C76 H60 Co2 N2 O32 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.09","0.0594","","","0.1578","0.1807","","","","","","0.873","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210701","8.815","0.004","15.386","0.007","16.055","0.008","104.527","0.006","92.798","0.006","101.187","0.006","2056.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H66 N4 O30 Zn2 -","- C92 H66 N4 O30 Zn2 -","- C92 H66 N4 O30 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.104","0.0609","","","0.129","0.153","","","","","","1","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210702","8.792","0.009","15.468","0.016","15.983","0.017","104.543","0.016","93.056","0.014","101.711","0.014","2048","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H66 N4 O30 Zn2 -","- C96 H66 N4 O30 Zn2 -","- C96 H66 N4 O30 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0961","0.0582","","","0.1419","0.1694","","","","","","0.875","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210703","7.9598","0.0006","15.1435","0.0012","17.0375","0.0014","90","","99.431","0.001","90","","2025.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 N4 O14 Zn2 -","- C44 H30 N4 O14 Zn2 -","- C88 H60 N8 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0603","0.0426","","","0.1271","0.1458","","","","","","0.976","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210704","8.695","0.005","16.594","0.009","17.034","0.009","90","","100.459","0.007","90","","2417","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 N4 O14 Zn2 -","- C48 H38 N4 O14 Zn2 -","- C96 H76 N8 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1589","0.0737","","","0.196","0.2383","","","","","","1.092","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210705","8.158","0.002","17.418","0.004","17.558","0.004","90","","98.28","0.003","90","","2468.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 N8 O14 Zn2 -","- C44 H30 N8 O14 Zn2 -","- C88 H60 N16 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1269","0.0843","","","0.2361","0.2671","","","","","","1.085","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210706","8.642","0.013","10.856","0.016","21.62","0.03","93.143","0.016","100.055","0.019","111.373","0.019","1844","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 N2 O32 Zn2 -","- C76 H50 N2 O32 Zn2 -","- C76 H50 N2 O32 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.2484","0.154","","","0.3972","0.4435","","","","","","1.289","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210707","12.166","0.002","12.6128","0.0011","13.073","0.003","90","","116.86","0.008","90","","1789.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H13 In3 Na O19 P5 -","- H13 In3 Na O19 P5 -","- H52 In12 Na4 O76 P20 -","4","1","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0447","0.0378","","","0.0682","0.0714","","","","","","0.992","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210708","5.477","0.0003","5.477","0.0003","13.0083","0.0012","90","","90","","120","","337.94","0.04","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- H2 In O6 P2 Rb -","- In O6 P2 Rb -","- In2 O12 P4 Rb2 -","2","0.166667","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0304","0.0304","","","0.0736","0.0736","","","","","","1.023","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210709","5.494","0.003","5.494","0.003","19.823","0.014","90","","90","","120","","518.2","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cs H2 In O6 P2 -","- Cs In O6 P2 -","- Cs3 In3 O18 P6 -","3","0.0833333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0413","0.0413","","","0.0798","0.0798","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210710","15.6227","0.0005","15.6227","0.0005","12.4684","0.0006","90","","90","","120","","2635.44","0.17","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Al2 Ba3 H6 O18 P6 -","- Al2 Ba3 H6 O18 P6 -","- Al12 Ba18 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0256","0.0234","","","0.0579","0.0591","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210711","15.7158","0.0015","15.7158","0.0015","12.679","0.004","90","","90","","120","","2712","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 Ga2 H6 O18 P6 -","- Ba3 Ga2 H6 O18 P6 -","- Ba18 Ga12 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0607","0.0442","","","0.073","0.0784","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210712","15.932","0.008","15.932","0.008","13.327","0.014","90","","90","","120","","2930","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 H6 In2 O18 P6 -","- Ba3 H6 In2 O18 P6 -","- Ba18 H36 In12 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0252","0.0222","","","0.0434","0.0445","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210713","10.6675","0.0005","21.4119","0.0009","24.6267","0.0014","90","","90","","90","","5625","0.5","173","2","173","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C164 H216 Ag12 Cl28 N8 O52 S32 -","4","0.5","","Lee, Eunji; Lee, Shim Sung","Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation","CrystEngComm","2013","15","9","1814","","10.1039/c3ce26900k","","","0.71073","MoKα","","0.0808","0.045","","","0.0987","0.1162","","","","","","1.031","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210714","8.8495","0.0014","12.1336","0.0019","12.559","0.002","80.603","0.007","89.677","0.007","81.09","0.007","1314.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H53 Ag3 Cl3 N3 O13 S8 -","- C41 H53 Ag3 Cl3 N3 O13 S8 -","- C41 H53 Ag3 Cl3 N3 O13 S8 -","1","0.5","","Lee, Eunji; Lee, Shim Sung","Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation","CrystEngComm","2013","15","9","1814","","10.1039/c3ce26900k","","","0.71073","MoKα","","0.0714","0.0708","","","0.1968","0.1971","","","","","","1.087","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210715","11.9158","0.0003","14.3094","0.0004","18.5432","0.0005","90","","94.685","0.001","90","","3151.2","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N4 Ni O8 -","- C31 H32 N4 Ni O8 -","- C124 H128 N16 Ni4 O32 -","4","1","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.1526","0.0555","","","0.09","0.1125","","","","","","1.005","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210716","12.4702","0.0002","22.7872","0.0004","11.0779","0.0002","90","","90","","90","","3147.91","0.09","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C30 H28 N4 Ni O8 -","- C30 H28 N4 Ni O8 -","- C120 H112 N16 Ni4 O32 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0736","0.042","","","0.1109","0.1285","","","","","","1.072","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210717","24.5212","0.0018","11.1701","0.0008","12.2369","0.0008","90","","90","","90","","3351.7","0.4","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C30 H30 N4 Ni O10 S -","- C30 H26 N4 Ni O10 S -","- C120 H104 N16 Ni4 O40 S4 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0683","0.0622","","","0.1706","0.176","","","","","","1.091","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210718","21.5324","0.0003","12.8686","0.0002","20.5775","0.0003","90","","93.497","0.001","90","","5691.24","0.15","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N4 Ni2 O20 S2 -","- C46 H46 N4 Ni2 O20 S2 -","- C184 H184 N16 Ni8 O80 S8 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.099","0.0567","","","0.1515","0.1736","","","","","","1.052","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210719","9.8199","0.0008","17.4052","0.0012","8.6142","0.0006","90","","105.229","0.008","90","","1420.61","0.19","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dicobalt hexahydrates","","","- C16 H40 Co2 N4 O20 -","- C16 H40 Co2 N4 O20 -","- C32 H80 Co4 N8 O40 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1161","0.0702","","","0.1066","0.1228","","","","","","1.028","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210720","9.726","0.004","17.322","0.005","8.608","0.003","90","","105.16","0.04","90","","1399.8","0.9","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dicobalt hexahydrates","","","- C16 H40 N4 Ni2 O20 -","- C16 H40 N4 Ni2 O20 -","- C32 H80 N8 Ni4 O40 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1805","0.0887","","","0.1031","0.1349","","","","","","0.963","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210721","9.793","0.0007","17.4391","0.0011","8.6138","0.0006","90","","105.169","0.007","90","","1419.82","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dizinc hexahydrates","","","- C16 H40 N4 O20 Zn2 -","- C16 H40 N4 O20 Zn2 -","- C32 H80 N8 O40 Zn4 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.0961","0.0557","","","0.1196","0.1539","","","","","","0.885","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210722","20.3827","0.0016","6.2408","0.0004","20.2968","0.0017","90","","105.286","0.008","90","","2490.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dicobalt hydrate","","","- C16 H34 Co2 N4 O17 -","- C16 H34 Co2 N4 O17 -","- C64 H136 Co8 N16 O68 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1077","0.0673","","","0.1142","0.1299","","","","","","1.029","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210723","20.2101","0.0014","6.2209","0.0005","20.2424","0.0015","90","","104.9","0.008","90","","2459.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dinickel hydrate","","","- C16 H34 N4 Ni2 O17 -","- C16 H34 N4 Ni2 O17 -","- C64 H136 N16 Ni8 O68 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.0874","0.0583","","","0.1216","0.1393","","","","","","1.069","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210724","20.3516","0.0013","6.2589","0.0004","20.3214","0.0013","90","","105.162","0.007","90","","2498.4","0.3","446","2","446","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dinickel hydrate","","","- C16 H34 N4 O17 Zn2 -","- C16 H34 N4 O17 Zn2 -","- C64 H136 N16 O68 Zn8 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1115","0.0709","","","0.0968","0.1092","","","","","","1.065","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210725","21.501","0.004","26.51","0.008","30.067","0.006","90","","90","","90","","17138","7","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H10 Cd N5 O9 -","- C23 H10 Cd N5 O9 -","- C552 H240 Cd24 N120 O216 -","24","1.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0926","0.0694","","","0.1703","0.1854","","","","","","1.089","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210726","15.1245","0.0009","15.1245","0.0009","12.6105","0.0014","90","","90","","120","","2498.2","0.3","273","2","273","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H4 Br Cd N0 O8 -","- C16 H4 Br Cd O8 -","- C48 H12 Br3 Cd3 O24 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0814","0.0751","","","0.2214","0.2304","","","","","","1.079","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210727","14.6756","0.0007","14.6756","0.0007","12.8469","0.0011","90","","90","","120","","2396.2","0.3","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0782","0.0655","","","0.1752","0.1843","","","","","","1.066","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210728","7.4706","0.0018","10.994","0.002","16.357","0.004","71.743","0.007","86.791","0.007","76.869","0.007","1242.3","0.5","","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cd N2 O10 S -","- C28 H16 Cd N2 O10 S -","- C56 H32 Cd2 N4 O20 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0261","0.0229","","","0.0526","0.0544","","","","","","1.051","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210729","10.905","0.005","13.194","0.007","14.97","0.008","110.429","0.007","95.307","0.006","91.644","0.006","2005.5","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Cd2 N4 O14.5 S -","- C40 H31 Cd2 N4 O14.5 S -","- C80 H62 Cd4 N8 O29 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0699","0.0523","","","0.1345","0.1464","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210730","11.8489","0.0007","16.7123","0.0006","18.8636","0.0011","90","","105.17","0.004","90","","3605.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 Cd2 N4 O11 S -","- C40 H24 Cd2 N4 O11 S -","- C160 H96 Cd8 N16 O44 S4 -","4","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0519","0.0394","","","0.0888","0.0973","","","","","","1.077","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210731","9.885","0.003","14.331","0.004","21.418","0.007","85.964","0.005","89.432","0.006","86.079","0.006","3019.5","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 Cd2 N8 O18 S -","- C64 H54 Cd2 N8 O18 S -","- C128 H108 Cd4 N16 O36 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0599","0.0474","","","0.1284","0.1438","","","","","","1.04","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210732","13.9963","0.001","28.938","0.002","27.5474","0.0019","90","","92.911","0.001","90","","11143","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H100 Mn4 N20 O137 P4 W36 -","- C120 H100 Mn4 N20 O134 P4 W36 -","- C240 H200 Mn8 N40 O268 P8 W72 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0683","0.0443","","","0.0947","0.1074","","","","","","1.045","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210733","13.9401","0.0009","23.1952","0.0015","14.6689","0.001","90","","108.094","0.001","90","","4508.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H42 Mn2 N12 O63 P2 W18 -","- C46 H40 Mn2 N12 O63 P2 W18 -","- C92 H80 Mn4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0584","0.0335","","","0.0628","0.0701","","","","","","1.018","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210734","13.9922","0.0008","22.7043","0.0012","14.7236","0.0008","90","","108.519","0.001","90","","4435.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H44 Cu2 N12 O63 P2 W18 -","- C46 H44 Cu2 N12 O63 P2 W18 -","- C92 H88 Cu4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0375","0.0266","","","0.0564","0.0599","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210735","29.7818","0.0017","23.1391","0.0013","17.8019","0.001","90","","101.189","0.001","90","","12034.5","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H128 Mn6 N28 O135 P4 W36 -","- C168 H130 Mn6 N28 O135 P4 W36 -","- C336 H260 Mn12 N56 O270 P8 W72 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0394","0.0278","","","0.0556","0.0589","","","","","","1.04","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210736","17.4716","0.0006","19.9622","0.0007","32.5448","0.0012","90","","97.927","0.001","90","","11242.2","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H58 Cl2 Cu4 N13 O68 P2 W18 -","- C74 H58 Cl2 Cu4 N13 O68 P2 W18 -","- C296 H232 Cl8 Cu16 N52 O272 P8 W72 -","4","1","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0579","0.0405","","","0.084","0.0903","","","","","","1.062","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210737","14.8896","0.0016","13.1433","0.0015","22.255","0.002","90","","92.16","0.002","90","","4352.2","0.8","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C24 H42 Cu3 N16 O68 P2 W18 -","- C24 H42 Cu3 N16 O68 P2 W18 -","- C48 H84 Cu6 N32 O136 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0817","0.0506","","","0.087","0.093","","","","","","1.052","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210738","7.2811","0.0001","7.4048","0.0001","9.7916","0.0001","92.74","0.001","95.62","0.001","91.154","0.001","524.613","0.011","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0263","0.0237","","","0.0608","0.0621","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210739","7.2607","0.0001","7.3081","0.0001","9.6963","0.0001","95.14","0.001","91.75","0.001","90.494","0.001","512.163","0.011","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0348","0.0307","","","0.0867","0.0903","","","","","","1.057","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210740","10.1568","0.0001","11.0027","0.0002","18.8432","0.0003","90","","91.4","0.001","90","","2105.14","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C88 H64 Br8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0789","0.0431","","","0.0975","0.1114","","","","","","1.02","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210741","4.8485","0.0005","13.4762","0.0012","16.8631","0.0018","90","","95.849","0.009","90","","1096.09","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C44 H32 I4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0835","0.0602","","","0.1477","0.1576","","","","","","0.979","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210742","4.3086","0.0003","12.7522","0.0006","19.6521","0.0011","90","","92.258","0.005","90","","1078.93","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C44 H32 I4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0623","0.048","","","0.1129","0.118","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210743","5.9493","0.0005","7.6138","0.0008","12.9655","0.0012","79.339","0.008","85.153","0.008","69.377","0.007","540.05","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C22 H16 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1108","0.0643","","","0.1346","0.1512","","","","","","0.926","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210744","6.9967","0.0005","7.5829","0.0006","19.4101","0.0012","98.546","0.006","99.133","0.006","96.346","0.006","995.93","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C44 H32 F4 N12 O4 -","4","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0863","0.0506","","","0.1146","0.1339","","","","","","1.042","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210745","3.851","0.0003","22.8635","0.0018","11.9533","0.0011","90","","92.229","0.007","90","","1051.66","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C44 H32 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1195","0.057","","","0.1014","0.1166","","","","","","0.937","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210746","10.1207","0.0007","11.0228","0.0007","18.8469","0.0015","90","","90.255","0.006","90","","2102.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C88 H64 Cl8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0919","0.0817","","","0.1111","0.1411","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210747","5.8921","0.0001","27.1491","0.0004","6.401","0.0002","90","","109.455","0.002","90","","965.47","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C44 H32 F4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1093","0.071","","","0.1209","0.1317","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210748","11.7158","0.0011","3.8018","0.0004","10.9082","0.001","90","","100.377","0.007","90","","477.92","0.08","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C22 H16 F2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0907","0.0584","","","0.0973","0.1052","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210749","5.8575","0.0001","7.3767","0.0001","13.3668","0.0002","101.59","0.001","96.747","0.001","110.547","0.001","518.551","0.015","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0266","0.0235","","","0.059","0.06","","","","","","1.079","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210750","5.8668","0.0005","7.2831","0.0007","13.1604","0.001","101.762","0.007","96.668","0.006","110.602","0.006","504.37","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1012","0.0617","","","0.1321","0.1458","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210751","5.976","0.0004","23.928","0.002","13.3223","0.001","90","","93.047","0.006","90","","1902.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C88 H64 F8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0921","0.0751","","","0.0918","0.1112","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210752","5.9838","0.0008","7.5827","0.0011","11.0466","0.0012","83.44","0.01","85.331","0.01","69.289","0.011","465.31","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0903","0.0382","","","0.0713","0.0804","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210753","16.3306","0.0003","8.9356","0.0003","8.2884","0.0002","90","","90","","90","","1209.47","0.05","298","","298","","","","","","","","","7","I m a 2","I 2 -2a","46","","","","- C4 H8 Al Cu F5 N8 O -","- C4 H8 Al Cu F5 N8 O -","- C16 H32 Al4 Cu4 F20 N32 O4 -","4","0.5","","Cadiau, Amandine; Auguste, Sandy; Taulelle, Francis; Martineau, Charlotte; Adil, Karim","Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu‒Al fluorinated MOF","CrystEngComm","2013","15","17","3430","","10.1039/c3ce40099a","powder diffraction","","1.5418","CuKα","","","","","","","","","5.7535","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210754","9.4237","0.0004","7.8685","0.0004","19.5593","0.001","90","","90","","90","","1450.33","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0457","0.039","","","0.1072","0.1122","","","","","","1.069","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210755","10.5091","0.0002","9.4298","0.0002","15.1828","0.0005","90","","90","","90","","1504.6","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0453","0.0408","","","0.1103","0.1144","","","","","","1.034","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7210756","12.1758","0.0005","9.4952","0.0005","12.9071","0.0007","90","","90","","90","","1492.21","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0532","0.0381","","","0.091","0.0988","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210757","9.4117","0.0004","7.7523","0.0003","20.2204","0.0007","90","","90","","90","","1475.33","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0421","0.0377","","","0.094","0.0968","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210758","4.7762","0.0001","13.3736","0.0003","13.9528","0.0003","90","","92.396","0.001","90","","890.46","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0421","0.0356","","","0.0868","0.0903","","","","","","1.057","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210759","13.5119","0.0006","9.7785","0.0004","6.7775","0.0003","90","","99.459","0.003","90","","883.31","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0457","0.0394","","","0.0945","0.0992","","","","","","1.089","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210760","9.6701","0.0005","9.2755","0.0004","19.8362","0.0011","90","","90","","90","","1779.21","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C72 H64 F24 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0477","0.0424","","","0.1163","0.1205","","","","","","1.068","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210761","9.509","0.005","9.299","0.005","16.435","0.009","90","","90","","90","","1453.3","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0702","0.0452","","","0.1125","0.1502","","","","","","1.109","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210762","7.4896","0.001","9.7758","0.0013","10.3578","0.0013","88.856","0.006","85.667","0.006","75.912","0.007","733.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","2","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0544","0.0501","","","0.1562","0.16","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7210763","9.783","0.0006","9.5402","0.0006","15.4045","0.0009","90","","90","","90","","1437.73","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0496","0.041","","","0.1248","0.1474","","","","","","1.127","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210764","10.9014","0.0005","9.9282","0.0004","13.308","0.0006","90","","90","","90","","1440.34","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0433","0.0359","","","0.0924","0.0972","","","","","","1.087","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210765","11.352","0.0003","8.9766","0.0003","8.9705","0.0003","90","","98.02","0.002","90","","905.17","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0435","0.0359","","","0.0901","0.0943","","","","","","1.061","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210766","12.8863","0.0006","10.0799","0.0005","6.9999","0.0004","90","","103.892","0.003","90","","882.64","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0525","0.0481","","","0.134","0.1377","","","","","","1.135","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210767","5.0567","0.0003","11.6521","0.0005","14.6968","0.0007","90","","91.565","0.003","90","","865.63","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0511","0.0406","","","0.1042","0.1105","","","","","","1.103","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210768","17.1365","0.0014","17.9392","0.0015","18.5138","0.0015","104.378","0.003","102.328","0.003","110.919","0.003","4854.1","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H128 Cl10 La2 N28 O57 Zn2 -","- C42 H42 Cl10 La2 N28 O26 Zn2 -","- C84 H84 Cl20 La4 N56 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0743","0.0512","","","0.1249","0.1342","","","","","","0.945","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210769","26.473","0.004","18.878","0.003","19.864","0.003","90","","104.752","0.004","90","","9600","3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H49 Cl5 N14 O21 Yb Zn -","- C21 H21 Cl5 N14 O12 Yb Zn -","- C168 H168 Cl40 N112 O96 Yb8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0712","0.0598","","","0.1815","0.1948","","","","","","1.11","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210770","26.2356","0.0012","18.6413","0.0009","19.8143","0.0009","90","","105.573","0.002","90","","9334.7","0.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H60 Cl5 Lu N14 O26.5 Zn -","- C21 H21 Cl5 Lu N14 O12 Zn -","- C168 H168 Cl40 Lu8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0559","0.0462","","","0.1403","0.149","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210771","16.9138","0.0008","17.2483","0.0008","20.4015","0.0009","98.006","0.002","112.641","0.001","109.75","0.002","4915.2","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H116 Ce2 Cl10 N28 O51 Zn2 -","- C42 H42 Ce2 Cl10 N28 O26 Zn2 -","- C84 H84 Ce4 Cl20 N56 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.064","0.0567","","","0.1719","0.1796","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210772","16.8979","0.0014","17.2593","0.0015","20.3082","0.0017","98.015","0.003","112.613","0.003","109.997","0.003","4880.8","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H124 Cl10 N28 O55 Pr2 Zn2 -","- C42 H42 Cl10 N28 O26 Pr2 Zn2 -","- C84 H84 Cl20 N56 O52 Pr4 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.1","0.0892","","","0.2524","0.2679","","","","","","1.071","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210773","16.9105","0.001","17.314","0.001","20.3622","0.0018","98.271","0.002","112.638","0.003","109.941","0.002","4905.6","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H116 Cl10 N28 Nd2 O51 Zn2 -","- C42 H42 Cl10 N28 Nd2 O26 Zn2 -","- C84 H84 Cl20 N56 Nd4 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.074","0.0654","","","0.1968","0.2078","","","","","","1.106","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210774","26.2615","0.0014","18.7064","0.0011","20.178","0.0011","90","","105.513","0.002","90","","9551.5","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H55 Cl5 N14 O24 Sm Zn -","- C21 H21 Cl5 N14 O12 Sm Zn -","- C168 H168 Cl40 N112 O96 Sm8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0612","0.0527","","","0.1591","0.1647","","","","","","1.09","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210775","26.6201","0.0019","18.9954","0.0014","20.0385","0.0015","90","","104.03","0.002","90","","9830.4","1.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 Gd N14 O25.5 Zn -","- C21 H21 Cl5 Gd N14 O12 Zn -","- C168 H168 Cl40 Gd8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0515","0.0436","","","0.1244","0.1297","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210776","26.375","0.002","18.8405","0.0017","20.0249","0.0018","90","","104.69","0.003","90","","9625.5","1.4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 N14 O25.5 Tb Zn -","- C21 H21 Cl5 N14 O12 Tb Zn -","- C168 H168 Cl40 N112 O96 Tb8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0564","0.0488","","","0.1468","0.1541","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210777","26.4821","0.0016","18.9227","0.0012","19.9297","0.0013","90","","104.577","0.002","90","","9665.5","1.1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H64 Cl5 Er N14 O28.5 Zn -","- C21 H21 Cl5 Er N14 O12 Zn -","- C168 H168 Cl40 Er8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0718","0.0594","","","0.1746","0.1873","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210778","26.4242","0.0016","18.8983","0.0011","19.8907","0.0011","90","","104.698","0.002","90","","9607.8","1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 N14 O25.5 Tm Zn -","- C21 H21 Cl5 N14 O12 Tm Zn -","- C168 H168 Cl40 N112 O96 Tm8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0718","0.0606","","","0.1817","0.1911","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210779","17.9776","0.0002","17.9776","0.0002","22.3567","0.0003","90","","90","","90","","7225.55","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H24 Co N4 O14 S2 -","- C32 H24 Co N4 O14 S2 -","- C256 H192 Co8 N32 O112 S16 -","8","0.5","","Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins","CrystEngComm","2013","15","20","4181","","10.1039/c3ce40161h","","","1.54184","CuKα","","0.0856","0.0669","","","0.1845","0.204","","","","","","1.051","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210780","25.1252","0.0004","11.7811","0.0002","23.979","0.0004","90","","93.596","0.001","90","","7083.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C98 H65.56 Co1.22 N10 -","- C98 H65.56 Co1.22 N10 -","- C392 H262.24 Co4.88 N40 -","4","0.5","","Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins","CrystEngComm","2013","15","20","4181","","10.1039/c3ce40161h","","","1.5418","CuKα","","0.0438","0.0416","","","0.1095","0.1115","","","","","","1.056","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210781","8.706","0.003","21.861","0.008","10.073","0.004","90","","103.923","0.003","90","","1860.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O7 Zn -","- C18 H15 N3 O6.419 Zn -","- C72 H60 N12 O25.676 Zn4 -","4","1","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.087","0.0677","","","0.1914","0.2035","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210782","13.8359","0.0019","12.997","0.0018","24.9","0.003","90","","118.689","0.006","90","","3928","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N5 O11 Zn2 -","- C31 H23 N5 O11 Zn2 -","- C124 H92 N20 O44 Zn8 -","4","1","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.2545","0.1193","","","0.3106","0.3961","","","","","","1.041","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210783","9.5593","0.0013","10.2131","0.0014","11.9424","0.0016","110.091","0.002","99.943","0.002","95.8","0.002","1062.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N8 O20 Zn3 -","- C42 H30 N8 O20 Zn3 -","- C42 H30 N8 O20 Zn3 -","1","0.5","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.1288","0.0664","","","0.1432","0.1712","","","","","","0.868","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210784","14.8149","0.0018","54.114","0.006","9.2584","0.0012","90","","110.055","0.009","90","","6972.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C199 H219 N21 O61 Zn8 -","- C160 H80 N8 O48 Zn8 -","- C160 H80 N8 O48 Zn8 -","1","0.125","","Lalonde, Marianne B.; Getman, Rachel B.; Lee, Jeong Yong; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.; Georgiev, Peter A.; Embs, Jan P.; Eckert, Juergen; Farha, Omar K.; Snurr, Randall Q.; Hupp, Joseph T.","A zwitterionic metal‒organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies","CrystEngComm","2013","15","45","9408","","10.1039/c3ce40198g","","","1.54178","CuKα","","0.2304","0.0953","","","0.2167","0.2623","","","","","","0.622","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210785","9.2506","0.0006","14.4032","0.001","27.384","0.002","97.587","0.006","93.139","0.006","106.92","0.005","3443.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H59 Br N7 O18 Zn2 -","- C40 H24 Br N2 O13 Zn2 -","- C80 H48 Br2 N4 O26 Zn4 -","2","1","","Lalonde, Marianne B.; Getman, Rachel B.; Lee, Jeong Yong; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.; Georgiev, Peter A.; Embs, Jan P.; Eckert, Juergen; Farha, Omar K.; Snurr, Randall Q.; Hupp, Joseph T.","A zwitterionic metal‒organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies","CrystEngComm","2013","15","45","9408","","10.1039/c3ce40198g","","","1.54178","CuKα","","0.1351","0.0903","","","0.2221","0.2452","","","","","","0.911","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210786","4.6628","0.0017","7.013","0.003","13.081","0.005","90","","90","","90","","427.8","0.3","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Br3 Hg2 I -","- Br3 Hg2 I -","- Br6 Hg4 I2 -","2","0.25","","Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui","Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region","CrystEngComm","2013","15","20","4196","","10.1039/c3ce40213d","","","0.71073","MoKα","","0.0407","0.0386","","","0.0983","0.099","","","","","","1.084","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210787","10.07","0.005","10.734","0.005","11.474","0.005","115.129","0.005","109.861","0.005","97.138","0.005","1002.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Co4 N4 O18 -","- C36 H52 Co4 N4 O18 -","- C36 H52 Co4 N4 O18 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0468","0.0395","","","0.1063","0.1106","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210788","10.2072","0.0009","10.7719","0.0007","11.5617","0.0008","114.506","0.007","109.613","0.007","97.489","0.006","1034.31","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Mn4 N4 O18 -","- C36 H52 Mn4 N4 O18 -","- C36 H52 Mn4 N4 O18 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0887","0.0497","","","0.1178","0.1285","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210789","12.706","0.005","13.774","0.005","14.198","0.005","79.814","0.005","69.227","0.005","79.861","0.005","2269.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H98 Co8 N8 O35 -","- C80 H98 Co8 N8 O35 -","- C80 H98 Co8 N8 O35 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0875","0.0504","","","0.1345","0.1524","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210790","12.722","0.003","13.796","0.003","14.181","0.003","79.7","0.03","68.75","0.03","80","0.03","2266.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H96 N8 O35 Zn8 -","- C80 H96 N8 O35 Zn8 -","- C80 H96 N8 O35 Zn8 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0973","0.0554","","","0.1272","0.1485","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210791","14.726","0.005","16.062","0.005","10.163","0.005","90","0.005","123.115","0.005","90","0.005","2013.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 Co4 N4 O17 -","- C34 H44 Co4 N4 O17 -","- C68 H88 Co8 N8 O34 -","2","0.25","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0733","0.0479","","","0.1101","0.1208","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210792","14.719","0.005","16.064","0.005","10.16","0.005","90","0.005","123.156","0.005","90","0.005","2011.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 N4 O17 Zn4 -","- C34 H44 N4 O17 Zn4 -","- C68 H88 N8 O34 Zn8 -","2","0.25","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0407","0.0302","","","0.0708","0.0748","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210793","10.507","0.005","10.58","0.005","10.725","0.005","101.281","0.005","108.121","0.005","90.551","0.005","1108","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Co4 N4 O19 -","- C36 H48 Co4 N4 O19 -","- C36 H48 Co4 N4 O19 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0594","0.046","","","0.1403","0.1544","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210794","23.579","0.0011","9.9671","0.0002","20.2015","0.0018","90","","114.428","0.004","90","","4322.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Co2 N2 O8.7 -","- C19 H26 Co2 N2 O8.7 -","- C152 H208 Co16 N16 O69.6 -","8","1","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0889","0.0547","","","0.1458","0.1568","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210795","8.447","0.004","11.013","0.006","14.285","0.006","107.72","0.03","100.94","0.02","97.82","0.03","1215.9","1.1","293","","293","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H24 N3 Ni O8 -","- C21.809 H22.427 N3 Ni O8 -","- C43.618 H44.854 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","powder diffraction","","1.54051","X-ray","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210796","8.23","0.003","10.54","0.004","14.14","0.003","97.46","0.02","99.97","0.03","109.71","0.03","1113.6","0.7","298","2","298","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H17 N3 Ni O8 -","- C20 H17 N3 Ni O8 -","- C40 H34 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","0.71073","MoKα","","0.1112","0.0717","","","0.1756","0.2121","","","","","","1.054","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210797","8.5403","0.0004","10.9818","0.0005","14.1674","0.0007","105.113","0.004","102.302","0.004","97.866","0.004","1226.97","0.11","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H27 N3 Ni O8 -","- C24 H27 N3 Ni O8 -","- C48 H54 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","1.54184","CuKα","","0.0909","0.0748","","","0.1804","0.1958","","","","","","1.034","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210798","8.8297","0.0001","7.4138","0.0001","29.8081","0.0004","90","","96.841","0.001","90","","1937.39","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 Ni O9 -","- C18 H19 N3 Ni O9 -","- C72 H76 N12 Ni4 O36 -","4","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","1.54184","CuKα","","0.0449","0.0433","","","0.0982","0.0991","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210799","12.5726","0.0019","13.341","0.002","13.473","0.004","102.989","0.002","109.678","0.002","108.726","0.002","1869.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H68 Cd2 Cl2 Cu4 N14 O18 -","- C72 H64 Cd2 Cl2 Cu4 N14 O18 -","- C72 H64 Cd2 Cl2 Cu4 N14 O18 -","1","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0471","0.0352","","","0.088","0.0949","","","","","","1.052","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210800","8.89","0.005","13.226","0.005","17.248","0.005","101.448","0.005","98.822","0.005","107.349","0.005","1847.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","1","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.1187","0.1133","","","0.3239","0.3255","","","","","","1.089","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210801","8.09","0.005","27.992","0.005","17.987","0.005","90","0.005","90","0.005","90","0.005","4073","3","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cd Cl Cu2 N7 O8 -","- C36 H32 Cd Cl Cu2 N7 O8 -","- C144 H128 Cd4 Cl4 Cu8 N28 O32 -","4","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0486","0.0357","","","0.0952","0.1023","","","","","","1.038","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210802","11.377","0.005","11.377","0.005","25.411","0.005","90","0.005","90","0.005","120","0.005","2848.4","1.9","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C38 H32 Cd Cu2 N10 O4 -","- C38 H32 Cd Cu2 N10 O4 -","- C114 H96 Cd3 Cu6 N30 O12 -","3","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0319","0.0291","","","0.0728","0.0743","","","","","","1.027","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210803","10.5123","0.0007","15.0065","0.001","15.3954","0.0016","113.108","0.003","107.716","0.003","98.386","0.002","2028","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Cd Cl16 N24 O29 Zn4 -","- C36 H36 Cd Cl16 N24 O22 Zn4 -","- C36 H36 Cd Cl16 N24 O22 Zn4 -","1","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1177","0.1108","","","0.3192","0.3226","","","","","","1.129","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210804","15.1118","0.0008","15.5851","0.0008","17.0616","0.0012","64.897","0.002","80.888","0.002","81.757","0.001","3579.8","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 N24 O40 Y -","- C36 H36 Cd Cl5 N24 O16 Y -","- C72 H72 Cd2 Cl10 N48 O32 Y2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0769","0.0529","","","0.1393","0.1499","","","","","","0.964","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210805","15.14","0.0007","15.7332","0.0007","17.1707","0.0008","64.184","0.001","81.023","0.002","81.956","0.002","3624.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cd Cl5 N24 O41 Sm -","- C36 H36 Cd Cl5 N24 O16 Sm -","- C72 H72 Cd2 Cl10 N48 O32 Sm2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0575","0.0499","","","0.1428","0.1489","","","","","","1.064","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210806","15.164","0.0014","15.6132","0.0014","17.1565","0.0015","64.327","0.003","81.022","0.003","82.192","0.003","3605.5","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H96 Cd Cl5 Eu N24 O42 -","- C36 H36 Cd Cl5 Eu N24 O16 -","- C72 H72 Cd2 Cl10 Eu2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0568","0.0472","","","0.1327","0.1399","","","","","","1.089","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210807","15.136","0.003","15.719","0.003","17.189","0.003","64.678","0.006","80.911","0.006","81.763","0.006","3637.1","1.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H102 Cd Cl5 Gd N24 O45 -","- C36 H36 Cd Cl5 Gd N24 O16 -","- C72 H72 Cd2 Cl10 Gd2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0411","0.0365","","","0.098","0.1009","","","","","","1.053","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210808","15.101","0.006","15.634","0.006","17.21","0.007","64.686","0.013","80.871","0.014","81.896","0.013","3614","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 N24 O40 Tb -","- C36 H36 Cd Cl5 N24 O16 Tb -","- C72 H72 Cd2 Cl10 N48 O32 Tb2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0874","0.0688","","","0.1703","0.1824","","","","","","0.946","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210809","15.1428","0.0019","15.569","0.002","17.119","0.002","64.842","0.004","80.884","0.005","81.789","0.004","3594.1","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H96 Cd Cl5 Dy N24 O42 -","- C36 H36 Cd Cl5 Dy N24 O16 -","- C72 H72 Cd2 Cl10 Dy2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0476","0.0415","","","0.1135","0.118","","","","","","1.047","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210810","15.135","0.003","15.617","0.003","17.079","0.004","64.87","0.008","80.916","0.008","81.719","0.008","3595.5","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H138 Cd Cl5 Ho N24 O63 -","- C36 H36 Cd Cl5 Ho N24 O16 -","- C72 H72 Cd2 Cl10 Ho2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1497","0.1247","","","0.3566","0.3823","","","","","","1.436","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210811","15.0779","0.0008","15.608","0.0008","17.0335","0.0009","65.006","0.002","81.067","0.002","81.602","0.002","3574.6","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 Er N24 O40 -","- C36 H36 Cd Cl5 Er N24 O16 -","- C72 H72 Cd2 Cl10 Er2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.047","0.0404","","","0.1086","0.1133","","","","","","1.028","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210812","15.127","0.004","15.586","0.005","17.087","0.005","65.083","0.01","80.892","0.012","81.824","0.012","3594.7","1.9","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H98 Cd Cl5 N24 O43 Tm -","- C36 H36 Cd Cl5 N24 O16 Tm -","- C72 H72 Cd2 Cl10 N48 O32 Tm2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0474","0.0411","","","0.1097","0.115","","","","","","1.064","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210813","15.076","0.003","15.57","0.003","17.006","0.004","64.892","0.007","80.96","0.007","81.779","0.007","3556.8","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H112 Cd Cl5 N24 O50 Yb -","- C36 H36 Cd Cl5 N24 O16 Yb -","- C72 H72 Cd2 Cl10 N48 O32 Yb2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1082","0.0896","","","0.2242","0.2432","","","","","","0.99","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210814","15.064","0.01","15.606","0.01","16.975","0.011","64.896","0.018","80.645","0.019","81.17","0.019","3550","4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H138 Cd Cl5 Lu N24 O63 -","- C36 H36 Cd Cl5 Lu N24 O16 -","- C72 H72 Cd2 Cl10 Lu2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1358","0.08","","","0.2253","0.2513","","","","","","1.067","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210815","10.4581","0.0011","26.99","0.003","29.15","0.003","90","","94.84","0.003","90","","8198.7","1.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H116 Cl10 N24 O52 Sm2 Zn2 -","- C36 H36 Cl10 N24 O22 Sm2 Zn2 -","- C144 H144 Cl40 N96 O88 Sm8 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.145","0.1112","","","0.3127","0.3369","","","","","","1.153","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210816","10.3737","0.0018","27.124","0.005","29.044","0.005","90","","95.595","0.006","90","","8133","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H98 Cl10 Eu2 N24 O43 Zn2 -","- C36 H36 Cl10 Eu2 N24 O22 Zn2 -","- C144 H144 Cl40 Eu8 N96 O88 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0669","0.0524","","","0.1541","0.1615","","","","","","1.07","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210817","10.38","0.002","26.98","0.005","29.004","0.005","90","","95.53","0.006","90","","8085","3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H94 Cl10 Gd2 N24 O41 Zn2 -","- C36 H36 Cl10 Gd2 N24 O22 Zn2 -","- C144 H144 Cl40 Gd8 N96 O88 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.09","0.0648","","","0.192","0.2065","","","","","","1.044","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210818","10.3566","0.0009","27.003","0.003","28.938","0.003","90","","95.463","0.003","90","","8056","1.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H124 Cl10 N24 O56 Tb2 Zn2 -","- C36 H36 Cl10 N24 O22 Tb2 Zn2 -","- C144 H144 Cl40 N96 O88 Tb8 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1098","0.096","","","0.2589","0.2689","","","","","","1.048","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210819","12.166","0.004","19.686","0.006","14.752","0.005","90","","112.805","0.009","90","","3256.9","1.8","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cl6 Dy2 N24 O30 -","- C36 H36 Cl6 Dy2 N24 O24 -","- C72 H72 Cl12 Dy4 N48 O48 -","2","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0295","0.0265","","","0.0713","0.0729","","","","","","1.044","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210820","12.306","0.0007","20.5511","0.0012","13.7026","0.0007","90","","95.421","0.002","90","","3449.9","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 Cl8 N24 O29 Zn2 -","- C36 H36 Cl8 N24 O16 Zn2 -","- C72 H72 Cl16 N48 O32 Zn4 -","2","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0564","0.0433","","","0.1233","0.1303","","","","","","1.101","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210821","15.31","0.02","15.81","0.02","17.28","0.02","64.156","0.015","81.043","0.017","81.527","0.017","3704","8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cl5 Ho N24 O44 Zn -","- C36 H36 Cl5 Ho N24 O17 Zn -","- C72 H72 Cl10 Ho2 N48 O34 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1101","0.0677","","","0.1657","0.1841","","","","","","0.949","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210822","15.142","0.002","15.54","0.002","16.992","0.002","63.894","0.005","80.645","0.005","81.604","0.005","3530.1","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cl5 Er N24 O40 Zn -","- C36 H36 Cl5 Er N24 O16 Zn -","- C72 H72 Cl10 Er2 N48 O32 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0624","0.0536","","","0.142","0.1484","","","","","","1.037","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210823","15.1322","0.0015","15.5741","0.0015","16.9621","0.0016","64.032","0.004","81.003","0.004","81.418","0.004","3535","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cl5 N24 O41 Tm Zn -","- C36 H36 Cl5 N24 O17 Tm Zn -","- C72 H72 Cl10 N48 O34 Tm2 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0778","0.0602","","","0.1488","0.1583","","","","","","0.956","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210824","15.138","0.002","15.585","0.002","16.967","0.002","64.023","0.005","80.796","0.005","81.44","0.006","3538.2","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cl5 N24 O41 Yb Zn -","- C36 H36 Cl5 N24 O17 Yb Zn -","- C72 H72 Cl10 N48 O34 Yb2 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.057","0.0486","","","0.1435","0.1489","","","","","","1.049","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210825","15.1379","0.001","15.6777","0.0011","16.9861","0.0012","63.936","0.002","80.761","0.002","81.111","0.002","3558.3","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cl5 Lu N24 O44 Zn -","- C36 H36 Cl5 Lu N24 O16 Zn -","- C72 H72 Cl10 Lu2 N48 O32 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0526","0.0454","","","0.1187","0.1238","","","","","","0.998","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210826","28.7527","0.0001","28.7527","0.0001","35.4316","0.0002","90","","90","","90","","29291.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","I 4/m","-I 4","87","UHM-7","","","- C228 H120 Cu12 N8 O61 Si6 -","- C228 H120 Cu12 N8 O61 Si6 -","- C912 H480 Cu48 N32 O244 Si24 -","4","0.25","","Frahm, Daniela; Hoffmann, Frank; Fröba, Michael","Linker extensions in metal‒organic frameworks: a way to isoreticular networks or new topologies?","CrystEngComm","2013","15","45","9429","","10.1039/c3ce40594j","","","1.54178","CuKα","","0.1309","0.1159","","","0.3455","0.3876","","","","","","1.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210827","7.0933","0.0006","16.2066","0.0011","8.8042","0.0007","90","","93.749","0.003","90","","1009.95","0.14","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 Cl N2 O2 -","- C7 H17 Cl N2 O2 -","- C28 H68 Cl4 N8 O8 -","4","1","","Rotival, Romain; Corvis, Yohann; Cartigny, Yohann; Négrier, Philippe; Marchivie, Mathieu; Massip, Stéphane; Gana, Inès; Lemoine, Pascale; Espeau, Philippe","Comprehensive determination of the solid state stability of bethanechol chloride active pharmaceutical ingredient using combined analytical tools","CrystEngComm","2013","15","39","7970","","10.1039/c3ce40707a","","","1.5418","CuKα","","0.0838","0.0739","","","0.1797","0.1921","","","","","","1.002","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210828","7.9283","0.0001","13.373","0.0002","15.2752","0.0002","90","","102.284","0.001","90","","1582.48","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cd N12 O2 -","- C8 H22 Cd N12 O2 -","- C32 H88 Cd4 N48 O8 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0372","0.0326","","","0.0841","0.087","","","","","","0.968","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210829","6.3061","0.0009","6.9947","0.001","7.908","0.0012","76.149","0.005","74.174","0.005","69.324","0.005","309.99","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 Mn N8 O6 -","- C4 H14 Mn N8 O6 -","- C4 H14 Mn N8 O6 -","1","0.5","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.042","0.0417","","","0.1185","0.1188","","","","","","1.123","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210830","7.7533","0.0003","13.1193","0.0005","15.5043","0.0006","90","","99.829","0.003","90","","1553.92","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 N12 O2 Zn -","- C8 H18 N12 O2 Zn -","- C32 H72 N48 O8 Zn4 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.113","0.0732","","","0.193","0.2221","","","","","","1.056","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210831","11.892","0.0003","7.2477","0.0002","14.5382","0.0004","90","","98.479","0.002","90","","1239.35","0.06","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H34 Co N20 O6 -","- C12 H34 Co N20 O6 -","- C24 H68 Co2 N40 O12 -","2","0.5","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0796","0.0673","","","0.198","0.2087","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210832","7.0262","0.0004","8.45","0.0005","12.2755","0.0009","103.213","0.004","97.971","0.004","105.3","0.003","668.83","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H18 Cu N12 -","- C8 H18 Cu N12 -","- C16 H36 Cu2 N24 -","2","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0379","0.0331","","","0.1033","0.1076","","","","","","1.055","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210833","8.8748","0.0003","25.091","0.0006","23.252","0.0007","90","","97.411","0.002","90","","5134.4","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H48 Mn2 N24 O6 -","- C48 H48 Mn2 N24 O6 -","- C192 H192 Mn8 N96 O24 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0702","0.0479","","","0.1087","0.1203","","","","","","1.016","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210834","15.0657","0.0003","9.2696","0.0002","28.1087","0.0006","90","","91.797","0.001","90","","3923.53","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 O12 -","- C38 H38 O12 -","- C152 H152 O48 -","4","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.1189","0.082","","","0.2526","0.2763","","","","","","1.052","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210835","32.8482","0.0013","7.0555","0.0002","25.7963","0.0018","90","","128.815","0.001","90","","4658.3","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 O8 -","- C49 H36 O8 -","- C196 H144 O32 -","4","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0871","0.0609","","","0.1757","0.191","","","","","","1.052","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210836","7.8893","0.0002","9.9296","0.0002","11.9272","0.0003","74.725","0.001","81.357","0.001","83.184","0.001","888.03","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0538","0.0424","","","0.1159","0.1246","","","","","","1.035","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210837","12.0986","0.0004","20.2849","0.0005","11.2091","0.0003","90","","98.449","0.001","90","","2721.07","0.13","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O9 -","- C30 H32 O9 -","- C120 H128 O36 -","4","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0753","0.0472","","","0.1236","0.1403","","","","","","1.001","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210838","13.0066","0.0005","8.3251","0.0003","8.5054","0.0003","90","","106.143","0.002","90","","884.66","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0607","0.0457","","","0.1384","0.1595","","","","","","1.078","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210839","10.6996","0.0004","10.814","0.0004","11.0347","0.0004","84.07","0.002","89.396","0.002","87.954","0.002","1269.1","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0821","0.0512","","","0.1377","0.1573","","","","","","1.053","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210840","27.539","0.002","7.4754","0.0004","25.6914","0.0019","90","","90","","90","","5289","0.6","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C57 H52 O8 -","- C57 H52 O8 -","- C228 H208 O32 -","4","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.1466","0.0801","","","0.1819","0.2031","","","","","","1.002","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210841","4.97","0.0002","7.437","0.0003","7.9748","0.0004","85.355","0.002","82.615","0.002","75.241","0.002","282.32","0.02","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O6 -","- C12 H14 O6 -","- C12 H14 O6 -","1","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0511","0.0454","","","0.133","0.1396","","","","","","1.06","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210842","15.6242","0.0012","8.155","0.0006","8.4742","0.0006","90","","96.557","0.002","90","","1072.68","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C56 H52 O8 -","2","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0857","0.0517","","","0.132","0.1517","","","","","","1.045","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210843","28.1955","0.0019","14.1957","0.001","33.3812","0.0017","90","","135.955","0.003","90","","9288.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C85 H58 Mn7 N13 O50 -","- C85 H58 Mn7 N13 O50 -","- C340 H232 Mn28 N52 O200 -","4","0.5","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0617","0.0418","","","0.1133","0.1286","","","","","","1.033","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210844","12.273","0.008","13.134","0.008","15.83","0.009","95.556","0.011","94.659","0.006","107.71","0.01","2403","3","386","2","386","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Mn4 N9 O27 -","- C42 H29 Mn4 N9 O27 -","- C84 H58 Mn8 N18 O54 -","2","1","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0931","0.0707","","","0.1552","0.1652","","","","","","1.024","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210845","21.2387","0.001","16.0539","0.0008","14.6979","0.0007","90","","108.837","0.001","90","","4743","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 Mn3 N8 O25 -","- C39 H41 Mn3 N8 O25 -","- C156 H164 Mn12 N32 O100 -","4","1","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0501","0.0357","","","0.0928","0.1057","","","","","","1.063","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210846","9.8523","0.0007","19.5244","0.0015","19.6699","0.0015","89.715","0.002","83.058","0.002","87.776","0.002","3753.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 Cd3 N4 O18 -","- C58 H78 Cd3 N4 O18 -","- C116 H156 Cd6 N8 O36 -","2","1","","Chaudhari, Abhijeet K.; Mukherjee, Soumya; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","Bi-porous metal‒organic framework with hydrophilic and hydrophobic channels: selective gas sorption and reversible iodine uptake studies","CrystEngComm","2013","15","45","9465","","10.1039/c3ce40795k","","","0.71073","MoKα","","0.1223","0.0993","","","0.292","0.3074","","","","","","1.221","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210847","11.552","0.005","14.116","0.006","10.387","0.004","90","","96.412","0.007","90","","1683.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag4 N4 O6 S2 -","- C10 H8 Ag4 N4 O6 S2 -","- C40 H32 Ag16 N16 O24 S8 -","4","1","","Chen, Zhen; Zhang, Liangliang; Liu, Fuling; Wang, Rangming; Sun, Daofeng","Anion-controlled formation of two silver lamella frameworks based on in situ ligand reaction","CrystEngComm","2013","15","44","8877","","10.1039/c3ce40809d","","","0.71073","MoKα","","0.0402","0.0303","","","0.0813","0.0981","","","","","","1.135","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210848","10.0593","0.0019","23.506","0.005","7.2278","0.0014","90","","116.631","0.003","90","","1527.7","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag3 Cl N2 O4 S2 -","- C10 H8 Ag3 Cl N2 O4 S2 -","- C40 H32 Ag12 Cl4 N8 O16 S8 -","4","0.5","","Chen, Zhen; Zhang, Liangliang; Liu, Fuling; Wang, Rangming; Sun, Daofeng","Anion-controlled formation of two silver lamella frameworks based on in situ ligand reaction","CrystEngComm","2013","15","44","8877","","10.1039/c3ce40809d","","","0.71073","MoKα","","0.0396","0.0296","","","0.0722","0.0782","","","","","","1.033","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210849","11.0165","0.0009","10.8877","0.0008","16.1364","0.0013","90","","104.391","0.008","90","","1874.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O4 Zn -","- C21 H21 N2 O4 Zn -","- C84 H84 N8 O16 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1107","0.0563","","","0.0779","0.0931","","","","","","0.891","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210850","11.1621","0.0005","11.0123","0.0005","16.2424","0.0009","90","","104.843","0.005","90","","1929.9","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd N2 O4 -","- C21 H21 Cd N2 O4 -","- C84 H84 Cd4 N8 O16 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.036","0.0286","","","0.0692","0.0744","","","","","","1.069","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210851","9.2171","0.0018","10.278","0.002","17.086","0.005","90","","116.74","0.02","90","","1445.5","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 N4 O5 Zn -","- C32 H36 N4 O5 Zn -","- C64 H72 N8 O10 Zn2 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0622","0.0518","","","0.1078","0.1143","","","","","","1.012","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210852","9.0664","0.0018","10.293","0.002","17.46","0.005","90","","115.29","0.02","90","","1473.2","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 Cd N4 O5 -","- C32 H36 Cd N4 O5 -","- C64 H72 Cd2 N8 O10 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.031","0.0291","","","0.0646","0.0658","","","","","","1.09","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210853","11.922","0.002","14.355","0.003","13.754","0.003","90","","100.06","0.03","90","","2317.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O5 Zn -","- C25 H21 N2 O5 Zn -","- C100 H84 N8 O20 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0641","0.052","","","0.147","0.1643","","","","","","0.901","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210854","12.224","0.002","13.993","0.003","14.16","0.003","90","","99.42","0.03","90","","2389.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cd N2 O5 -","- C25 H21 Cd N2 O5 -","- C100 H84 Cd4 N8 O20 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0402","0.034","","","0.0845","0.0944","","","","","","1.163","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210855","14.083","0.003","14.906","0.003","16.326","0.003","97.91","0.03","95.29","0.03","95.71","0.03","3358.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 N8 O12 S2 Zn2 -","- C72 H68 N8 O12 S2 Zn2 -","- C144 H136 N16 O24 S4 Zn4 -","2","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1506","0.095","","","0.2391","0.2903","","","","","","0.947","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210856","19.456","0.004","22","0.004","16.095","0.003","90","","99.83","0.03","90","","6788","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cd N4 O6 S -","- C36 H34 Cd N4 O6 S -","- C288 H272 Cd8 N32 O48 S8 -","8","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1262","0.0786","","","0.1775","0.213","","","","","","0.995","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210857","10.981","0.002","10.867","0.002","16.101","0.003","90","","104.41","0.03","90","","1860.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O4 Zn -","- C21 H21 N2 O4 Zn -","- C84 H84 N8 O16 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0565","0.0495","","","0.1018","0.1061","","","","","","1.066","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210858","9.2122","0.0018","10.31","0.002","17.092","0.005","90","","117.59","0.02","90","","1438.8","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 N4 O5 Zn -","- C32 H36 N4 O5 Zn -","- C64 H72 N8 O10 Zn2 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0814","0.0718","","","0.1624","0.1686","","","","","","1.164","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210859","9.0575","0.0018","10.338","0.002","17.427","0.005","90","","115.35","0.02","90","","1474.7","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 Cd N4 O5 -","- C32 H36 Cd N4 O5 -","- C64 H72 Cd2 N8 O10 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0538","0.0514","","","0.1109","0.1123","","","","","","1.132","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210860","11.936","0.002","14.277","0.003","13.726","0.003","90","","99.86","0.03","90","","2304.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O5 Zn -","- C25 H21 N2 O5 Zn -","- C100 H84 N8 O20 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0692","0.0625","","","0.1386","0.1432","","","","","","1.006","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210861","12.241","0.002","14.012","0.003","14.167","0.003","90","","99.53","0.03","90","","2396.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cd N2 O5 -","- C25 H21 Cd N2 O5 -","- C100 H84 Cd4 N8 O20 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0705","0.0539","","","0.1002","0.1105","","","","","","0.991","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210862","21.83","0.014","21.83","0.014","52.55","0.04","90","","90","","120","","21688","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H214 Cl2 N48 O95 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1603","0.0845","","","0.2539","0.2826","","","","","","0.959","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210863","21.7553","0.0014","21.7553","0.0014","52.07","0.004","90","","90","","120","","21343","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H210 Cl2 N48 O93 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1165","0.0708","","","0.212","0.2347","","","","","","0.951","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210864","21.755","0.005","21.755","0.005","52.173","0.009","90","","90","","120","","21384","8","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H212 Cl2 N48 O94 Rb2 -","- C72 H72 Cl1.999 N48 O25 Rb2 -","- C432 H432 Cl11.994 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1237","0.0654","","","0.1793","0.1966","","","","","","0.906","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210865","21.879","0.008","21.879","0.008","52.67","0.04","90","","90","","120","","21835","2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C144 H436 Cl4 N96 O194 Rb4 -","- C144 H144 Cl4 N96 O50 Rb4 -","- C432 H432 Cl12 N288 O150 Rb12 -","3","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1532","0.0894","","","0.244","0.264","","","","","","0.915","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7210866","22.174","0.003","22.174","0.003","18.102","0.005","90","","90","","120","","7708","3","223","2","223","2","","","","","","","","7","P -3","-P 3","147","","","","- C144 H380 Cl24 In6 N96 Na2 O164 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","1","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.0983","0.0603","","","0.1701","0.1829","","","","","","0.94","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210867","18.733","0.006","21.701","0.007","22.301","0.007","118.963","0.004","90.299","0.005","104.709","0.005","7584","4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H446 Cl8 N96 O199 Sr4 -","- C144 H144 Cl8 N96 O70 Sr4 -","- C144 H144 Cl8 N96 O70 Sr4 -","1","0.5","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1384","0.0835","","","0.2258","0.2491","","","","","","0.968","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210868","20.0954","0.0003","29.8975","0.0005","24.9908","0.0004","90","","110.867","0.002","90","","14029.7","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C435 H519 Cl40 Cu20 N113 O61 -","2","1","","Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong","Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity","CrystEngComm","2013","15","35","7106","","10.1039/c3ce40845k","","","1.54178","CuKα","","0.1028","0.074","","","0.1983","0.2182","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210869","12.6625","0.0007","12.7389","0.0007","15.6693","0.0007","91.249","0.004","102.326","0.004","108.969","0.005","2323.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H80 Cl16 Cu5 N20 O4 -","- C88 H80 Cl16 Cu5 N20 O4 -","- C88 H80 Cl16 Cu5 N20 O4 -","1","0.5","","Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong","Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity","CrystEngComm","2013","15","35","7106","","10.1039/c3ce40845k","","","1.54178","CuKα","","0.073","0.065","","","0.1822","0.1913","","","","","","1.022","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210870","4.697","0.0008","9.949","0.0014","15.105","0.002","103.05","0.012","92.105","0.013","96.701","0.013","681.48","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Co N O7 -","- C14 H13 Co N O7 -","- C28 H26 Co2 N2 O14 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.1116","0.0625","","","0.0896","0.1133","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210871","4.911","0.0002","29.757","0.0011","10.197","0.0004","90","","103.639","0.004","90","","1448.13","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N Ni O8 -","- C14 H11 N Ni O8 -","- C56 H44 N4 Ni4 O32 -","4","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0695","0.0651","","","0.1665","0.1683","","","","","","1.251","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210872","8.413","0.0012","5.334","0.0007","13.284","0.0014","90","","97.52","0.013","90","","590.99","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C28 H18 Cu2 N2 O10 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0737","0.0528","","","0.0926","0.106","","","","","","1.048","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210873","18.4215","0.0003","18.4215","0.0003","47.8464","0.0014","90","","90","","120","","14061.4","0.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Cd N O5.5 -","- C14 H9 Cd N O5.49667 -","- C504 H324 Cd36 N36 O197.88 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71073","MoKα","","0.0681","0.0417","","","0.1038","0.1209","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210874","18.263","0.0014","18.263","0.0014","47.393","0.003","90","","90","","120","","13689.5","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Mn N O5.5 -","- C14 H9 Mn N O5.5 -","- C504 H324 Mn36 N36 O198 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.1583","0.0781","","","0.1788","0.2293","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210875","14.843","0.0004","9.53","0.0003","12.658","0.0004","90","","103.631","0.003","90","","1740.09","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cu2 N4 O12 -","- C38 H30 Cu2 N4 O12 -","- C76 H60 Cu4 N8 O24 -","2","0.5","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0456","0.0349","","","0.0899","0.0967","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210876","7.916","0.0006","9.847","0.0006","12.377","0.0009","103.997","0.006","94.233","0.006","107.48","0.006","881.65","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cd2 N4 O12 -","- C38 H30 Cd2 N4 O12 -","- C38 H30 Cd2 N4 O12 -","1","0.5","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0757","0.0486","","","0.0628","0.0734","","","","","","1.011","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210877","8.229","0.0004","9.735","0.0005","14.83","0.0008","89.604","0.004","76.115","0.004","65.898","0.005","1047.18","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Mn N3 O6 -","- C24 H19 Mn N3 O6 -","- C48 H38 Mn2 N6 O12 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0618","0.0412","","","0.0838","0.0974","","","","","","1.024","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210878","29.716","0.006","18.584","0.004","22.937","0.005","90","","109.3","0.03","90","","11955","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C129 H155 Cd3 N3 O25 -","- C129 H151 Cd3 N3 O25 -","- C516 H604 Cd12 N12 O100 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0664","0.0605","","","0.1382","0.1418","","","","","","1.126","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210879","14.063","0.003","28.085","0.006","15.736","0.003","90","","109.45","0.03","90","","5860","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H73 Cd N O10 -","- C59 H57 Cd O7 -","- C236 H228 Cd4 O28 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0616","0.0531","","","0.1304","0.1373","","","","","","1.106","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210880","31.277","0.006","17.558","0.004","23.629","0.005","90","","110.54","0.03","90","","12151","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C131 H157 Co3 N5 O25 -","- C131 H154 Co3 N5 O25 -","- C524 H616 Co12 N20 O100 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.1067","0.0972","","","0.2416","0.2489","","","","","","1.147","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210881","32.199","0.004","17.4926","0.0019","23.786","0.003","90","","115.27","0.02","90","","12115","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C130 H152 Mn3 N4 O23 -","- C126 H140 Mn3 N4 O22 -","- C504 H560 Mn12 N16 O88 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0806","0.0722","","","0.1723","0.1808","","","","","","1.001","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210882","11.737","0.002","17.132","0.003","30.875","0.006","94.26","0.03","95.75","0.03","100.9","0.03","6038","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H156 N4 O22 Zn4 -","- C134 H154 N4 O22 Zn4 -","- C268 H308 N8 O44 Zn8 -","2","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0691","0.0624","","","0.1449","0.1483","","","","","","1.098","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210883","16.765","0.003","28.419","0.006","11.636","0.002","90","","99.94","0.03","90","","5460.7","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 Cl N3 O11 Zn2 -","- C57 H38 Cl N3 O11 Zn2 -","- C228 H152 Cl4 N12 O44 Zn8 -","4","0.5","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.1206","0.1095","","","0.2682","0.2819","","","","","","1.161","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210884","24.585","0.005","13.726","0.002","23.486","0.004","90","","95.409","0.007","90","","7890","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H74 Co3 N12 O18 -","- C86 H60 Co3 N12 O18 -","- C344 H240 Co12 N48 O72 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0737","0.0466","","","0.1151","0.1328","","","","","","1.019","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210885","24.1977","0.0017","13.9528","0.001","25.1006","0.0018","90","","96.677","0.002","90","","8417.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H62 Cd3 N10 O17 -","- C80 H56 Cd3 N10 O17 -","- C320 H224 Cd12 N40 O68 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0795","0.0714","","","0.1775","0.1817","","","","","","1.089","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210886","28.157","0.002","16.659","0.0012","14.5584","0.0011","90","","93.284","0.003","90","","6817.7","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N6 O27 Zn4 -","- C56 H36 N6 O27 Zn4 -","- C224 H144 N24 O108 Zn16 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0723","0.0484","","","0.1375","0.1538","","","","","","1.064","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210887","9.6563","0.0006","14.3534","0.001","15.571","0.001","87.588","0.002","74.823","0.002","85.179","0.002","2075.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H66 Co7 N12 O38 -","- C84 H48 Co7 N12 O38 -","- C84 H48 Co7 N12 O38 -","1","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.052","0.0441","","","0.1205","0.1293","","","","","","1.046","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210888","10.1907","0.0004","10.2746","0.0004","13.2039","0.0006","80.321","0.001","81.001","0.001","66.278","0.001","1241.64","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N5 Ni O8 -","- C26 H16 N5 Ni O8 -","- C52 H32 N10 Ni2 O16 -","2","1","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0462","0.0386","","","0.0988","0.1069","","","","","","1.068","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210889","8.0093","0.0008","9.0265","0.0009","22.4","0.002","86.845","0.004","85.477","0.004","68.016","0.003","1496.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N4 O11 Zn -","- C31 H21 N4 O11 Zn -","- C62 H42 N8 O22 Zn2 -","2","1","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.1568","0.0757","","","0.1678","0.218","","","","","","1.008","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210890","20.048","0.004","12.245","0.002","29.217","0.006","90","","108.84","0.03","90","","6788","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cd N5 O6 -","- C39 H30 Cd N5 O6 -","- C312 H240 Cd8 N40 O48 -","8","1","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.1305","0.1142","","","0.2314","0.239","","","","","","1.186","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210891","15.5371","0.0006","15.4888","0.0006","9.0606","0.0004","90","","92.877","0.001","90","","2177.69","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd N2 O5 -","- C24 H18 Cd N2 O5 -","- C96 H72 Cd4 N8 O20 -","4","1","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.0332","0.0236","","","0.0506","0.0554","","","","","","1.029","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210892","24.217","0.013","11.868","0.007","10.137","0.006","90","","102.156","0.008","90","","2848","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cd N4 O4 -","- C34 H24 Cd N4 O4 -","- C136 H96 Cd4 N16 O16 -","4","0.5","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.051","0.0458","","","0.1135","0.1186","","","","","","1.041","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210893","7.711","0.003","8.959","0.003","9.103","0.003","88.46","0.005","88.793","0.004","74.567","0.005","605.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N4 O8 Zn2 -","- C9 H8 N4 O7 Zn2 -","- C18 H16 N8 O14 Zn4 -","2","1","","Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand","CrystEngComm","2013","15","38","7636","","10.1039/c3ce40869h","","","0.71069","MoKα","","0.0535","0.0415","","","0.1011","0.1098","","","","","","1.033","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210894","13.739","0.002","24.301","0.003","15.179","0.002","90","","90","","90","","5067.8","1.2","120","1","120","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H46 Co8 N18 O33 -","- C27 H9 Co8 N18 O25 -","- C108 H36 Co32 N72 O100 -","4","0.5","","Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand","CrystEngComm","2013","15","38","7636","","10.1039/c3ce40869h","","","0.71069","MoKα","","0.2517","0.0827","","","0.2059","0.2383","","","","","","0.581","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210895","14.061","0.006","5.039","0.002","19.598","0.008","90","","102.641","0.008","90","","1354.9","1","30","","30","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O8 -","- C13 H9 N3 O8 -","- C52 H36 N12 O32 -","4","1","","Ford, Samantha J.; McIntyre, Garry J.; Johnson, Mark R.; Evans, Ivana Radosavljević","Structure and dynamics studies of the short strong hydrogen bond in the 3,5-dinitrobenzoic acid‒nicotinic acid molecular complex","CrystEngComm","2013","15","37","7576","","10.1039/c3ce40874d","","neutron","","thermalneutrons","","0.1958","0.0877","","","0.1417","0.1666","","","","","","1.089","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210896","14.061","0.006","5.039","0.002","19.598","0.008","90","","102.641","0.008","90","","1354.9","1","300","","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O8 -","- C13 H9 N3 O8 -","- C52 H36 N12 O32 -","4","1","","Ford, Samantha J.; McIntyre, Garry J.; Johnson, Mark R.; Evans, Ivana Radosavljević","Structure and dynamics studies of the short strong hydrogen bond in the 3,5-dinitrobenzoic acid‒nicotinic acid molecular complex","CrystEngComm","2013","15","37","7576","","10.1039/c3ce40874d","","neutron","","thermalneutrons","","0.2548","0.0823","","","0.1166","0.1566","","","","","","0.964","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210897","6.0867","0.0002","31.3792","0.0008","8.2848","0.0002","90","","108.618","0.001","90","","1499.55","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H19 Na3 O16 P2 -","- H19 Na3 O16 P2 -","- H76 Na12 O64 P8 -","4","1","","Perras, Frédéric A.; Korobkov, Ilia; Bryce, David L.","NMR crystallography of sodium diphosphates: combining dipolar, shielding, quadrupolar, diffraction, and computational information","CrystEngComm","2013","15","43","8727","","10.1039/c3ce40875b","","","0.71073","MoKα","","0.0265","0.0255","","","0.0739","0.0746","","","","","","1.01","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210898","22.241","0.005","8.9299","0.0018","21.092","0.004","90","","116.253","0.007","90","","3757","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cu N3 O5 -","- C19 H19 Cu N3 O5 -","- C152 H152 Cu8 N24 O40 -","8","1","","Qiblawi, Sultan H.; Pochodylo, Amy L.; LaDuca, Robert L.","Divalent copper trans-1,4-cyclohexanedicarboxylate coordination polymers with isomeric dipyridylamide ligands: new pillared and self-penetrated binodal networks","CrystEngComm","2013","15","44","8979","","10.1039/c3ce40889b","","","0.71073","MoKα","","0.0529","0.0357","","","0.0717","0.0781","","","","","","1.016","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210899","10.3498","0.0007","10.8338","0.0008","20.2124","0.0015","84.101","0.001","78.486","0.001","76.172","0.001","2152.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu2 N6 O16 -","- C38 H50 Cu2 N6 O16 -","- C76 H100 Cu4 N12 O32 -","2","1","","Qiblawi, Sultan H.; Pochodylo, Amy L.; LaDuca, Robert L.","Divalent copper trans-1,4-cyclohexanedicarboxylate coordination polymers with isomeric dipyridylamide ligands: new pillared and self-penetrated binodal networks","CrystEngComm","2013","15","44","8979","","10.1039/c3ce40889b","","","0.71073","MoKα","","0.0405","0.0329","","","0.0849","0.0896","","","","","","1.051","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210900","8.3395","0.0002","15.7388","0.0004","12.694","0.0004","90","","105.565","0.001","90","","1605.03","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N8 O10 Zn2 -","- C30 H28 N8 O10 Zn2 -","- C60 H56 N16 O20 Zn4 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0401","0.0339","","","0.0782","0.0813","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210901","9.4798","0.0012","10.1009","0.0012","11.1659","0.0014","96.353","0.006","111.398","0.005","99.654","0.005","964","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O6 Zn -","- C18 H19 N5 O6 Zn -","- C36 H38 N10 O12 Zn2 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0827","0.0576","","","0.1523","0.169","","","","","","1.041","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210902","9.3228","0.0004","14.8745","0.0006","12.8792","0.0005","90","","102.712","0.002","90","","1742.21","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O6 Zn -","- C16 H16 N4 O6 Zn -","- C64 H64 N16 O24 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0633","0.0373","","","0.0961","0.1052","","","","","","1.068","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210903","8.4157","0.0005","16.7161","0.001","13.1197","0.0007","90","","90.98","0.002","90","","1845.38","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O5 Zn -","- C17 H18 N4 O5 Zn -","- C68 H72 N16 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0717","0.0439","","","0.1217","0.1346","","","","","","1.039","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210904","14.8499","0.0006","9.339","0.0004","35.7679","0.0015","90","","99.905","0.001","90","","4886.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N4 O6 Zn -","- C25 H27 N4 O6 Zn -","- C200 H216 N32 O48 Zn8 -","8","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0748","0.0558","","","0.1247","0.131","","","","","","1.094","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210905","8.4539","0.0005","16.364","0.001","13.255","0.0008","90","","92.011","0.002","90","","1832.56","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N4 O5 Zn -","- C16 H11 Br N4 O5 Zn -","- C64 H44 Br4 N16 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0844","0.0527","","","0.16","0.1709","","","","","","1.089","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210906","9.5734","0.0004","10.1279","0.0004","11.314","0.0005","80.503","0.001","66.394","0.001","80.43","0.001","985.31","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 I N4 O7 Zn -","- C15 H15 I N4 O7 Zn -","- C30 H30 I2 N8 O14 Zn2 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0472","0.0371","","","0.0923","0.0969","","","","","","1.055","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210907","12.5177","0.0005","7.5794","0.0003","15.9998","0.0006","90","","111.745","0.002","90","","1409.99","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N6 O12 Zn2 -","- C23 H14 N6 O12 Zn2 -","- C46 H28 N12 O24 Zn4 -","2","0.5","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0713","0.0463","","","0.1289","0.143","","","","","","1.053","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210908","9.361","0.003","10.108","0.003","11.47","0.004","95.845","0.012","112.739","0.01","97.487","0.012","978.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 N14 O11 Zn2 -","- C33 H22 N14 O11 Zn2 -","- C33 H22 N14 O11 Zn2 -","1","0.5","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0879","0.0562","","","0.1411","0.1574","","","","","","0.972","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210909","9.446","0.002","14.595","0.004","13.058","0.003","90","","99.624","0.008","90","","1774.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N7 O5 Zn -","- C15 H13 N7 O5 Zn -","- C60 H52 N28 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.1824","0.0773","","","0.2065","0.2444","","","","","","1.172","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210910","62.779","0.007","62.779","0.007","62.779","0.007","90","","90","","90","","247425","5","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C23 H17 N O10 Zn2 -","- C21 H9 O10 Zn2 -","- C4032 H1728 O1920 Zn384 -","192","1","","Kim, Dongwook; Lah, Myoung Soo","Metal‒organic framework with two different types of rigid triscarboxylates: net topology and gas sorption behaviour","CrystEngComm","2013","15","45","9491","","10.1039/c3ce40929e","","","0.67","synchrotron","","0.1064","0.085","","","0.2807","0.3095","","","","","","1.188","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7210911","5.0243","0.0008","26.279","0.005","6.0065","0.001","90","","96.332","0.006","90","","788.2","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0716","0.0468","","","0.1232","0.1484","","","","","","1.182","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210912","4.9534","0.0006","6.4415","0.0008","24.643","0.003","90","","90","","90","","786.29","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0442","0.0361","","","0.086","0.0896","","","","","","1.156","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210913","5.1527","0.0006","12.1505","0.0016","16.292","0.002","84.04","0.004","88.391","0.004","78.975","0.004","995.7","0.2","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 F4 I2 N4 O4 S4 -","- C34 H36 F4 I2 N4 O4 S4 -","- C34 H36 F4 I2 N4 O4 S4 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0516","0.0328","","","0.0678","0.0754","","","","","","0.971","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210914","8.867","0.004","6.102","0.003","15.553","0.007","90","","103.913","0.011","90","","816.8","0.7","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H9 F4 I2 N O S -","- C13 H9 F4 I2 N O S -","- C26 H18 F8 I4 N2 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0355","0.032","","","0.0752","0.0769","","","","","","1.036","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210915","4.5847","0.0003","19.1307","0.0016","8.9047","0.0006","90","","90","","90","","781.02","0.1","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C5 H13 N3 O2 -","- C5 H13 N3 O2 -","- C20 H52 N12 O8 -","4","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","1.54184","CuKα","","0.0321","0.03","","","0.0873","0.0892","","","","","","1.101","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210916","6.7949","0.0005","4.5234","0.0003","12.2711","0.0009","90","","95.701","0.007","90","","375.3","0.05","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C5 H12 N2 O3 -","- C5 H12 N2 O3 -","- C10 H24 N4 O6 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.0507","0.0455","","","0.1251","0.1294","","","","","","1.052","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7210917","10.0368","0.0002","7.6417","0.00018","18.6502","0.0004","90","","96.082","0.002","90","","1422.39","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H43 N11 O3 S4 -","- C16 H43 N11 O3 S4 -","- C32 H86 N22 O6 S8 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.0337","0.0267","","","0.0618","0.0656","","","","","","1.037","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210918","9.4441","0.0003","7.1099","0.0002","13.7207","0.0004","90","","94.022","0.003","90","","919.03","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N8 O2 S4 -","- C8 H24 N8 O2 S4 -","- C16 H48 N16 O4 S8 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.038","0.028","","","0.0578","0.0607","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210919","6.419","0.001","10.026","0.002","10.326","0.002","69.67","0.02","80.22","0.02","80.44","0.01","610","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","NaBA_BA_2H2O","","","- C8 H11 N4 Na O8 -","- C8 H11 N4 Na O8 -","- C16 H22 N8 Na2 O16 -","2","1","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.71073","MoKα","","0.0982","0.072","","","0.1847","0.2032","","","","","","0.991","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210920","14.686","0.005","16.19","0.002","10.926","0.003","90","","131.41","0.05","90","","1948.4","1.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","KBA_BA0.5_1.5H2O","","","- C12 H16 K2 N6 O12 -","- C12 H16 K2 N6 O12 -","- C48 H64 K8 N24 O48 -","4","0.5","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.7107","MoKα","","0.0799","0.0552","","","0.1382","0.1649","","","","","","0.924","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210921","51.935","0.007","11.828","0.003","12.781","0.003","90","","91.88","0.01","90","","7847","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BA_KBA_2H2O","","","- C8 H11 K N4 O8 -","- C8 H10.6667 K N4 O8 -","- C192 H256 K24 N96 O192 -","24","3","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.71073","MoKα","","0.0729","0.0593","","","0.1687","0.1791","","","","","","1.081","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210922","7.8795","0.0016","9.76","0.002","13.612","0.003","90","","90","","90","","1046.8","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,5,7-triazabicyclo[4.4.0]dec-5-ene.oxalicacid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.hydrogen oxalate","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0304","0.0278","","","0.0692","0.071","","","","","","1.038","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210923","7.014","0.003","12.065","0.005","17.179","0.007","90","","90.118","0.006","90","","1453.8","1","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5,7-triazabicyclo[4.4.0]dec-5-ene.adipic acid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium hydrogen adipate","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0834","0.0533","","","0.1185","0.1329","","","","","","0.985","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210924","7.1832","0.0007","8.9257","0.0009","9.8008","0.001","71.298","0.001","75.374","0.001","81.203","0.001","574.13","0.1","105","2","105","2","","","","","","","","4","P -1","-P 1","2","1,5,7-triazabicyclo[4.4.0]dec-5-ene.glycolicacid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.glycolate","","- C9 H19 N3 O4 -","- C9 H18.996 N3 O3.998 -","- C18 H37.992 N6 O7.996 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0374","0.0335","","","0.0906","0.0942","","","","","","1.056","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210925","13.031","0.0006","13.031","0.0006","29.498","0.0016","90","","90","","120","","4337.9","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","AlPO STA-2, as-prepared","","","- C16 H24 Al12 N4 O50 P12 -","- C15.98 H24 Al12 N4 O49.98 P12 -","- C47.94 H72 Al36 N12 O149.94 P36 -","3","0.166667","","Seymour, Valerie R.; Eschenroeder, Eike C. V.; Castro, Maria; Wright, Paul A.; Ashbrook, Sharon E.","Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2","CrystEngComm","2013","15","43","8668","","10.1039/c3ce40965a","","","1.54187","CuKα","","0.1716","0.1126","","","0.2973","0.3568","","","","","","1.25","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210926","17.87","0.002","17.87","0.002","7.7402","0.0009","90","","90","","90","","2471.7","0.5","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C48 H52 Cu F4 N12 O14 S -","- C48 H40 Cu F4 N12 O14 S -","- C96 H80 Cu2 F8 N24 O28 S2 -","2","0.25","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0703","0.0614","","","0.179","0.1855","","","","","","1.072","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210927","18.1493","0.0017","18.1493","0.0017","7.9703","0.0008","90","","90","","90","","2625.4","0.4","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C48 H48 Cd F4 N12 O12 S -","- C48 H40 Cd F4 N12 O12 S -","- C96 H80 Cd2 F8 N24 O24 S2 -","2","0.5","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0344","0.0336","","","0.0888","0.0895","","","","","","1.092","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210928","13.2254","0.0008","14.6731","0.0009","17.1748","0.001","98.663","0.002","109.9","0.001","103.784","0.002","2944","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu N16 O8 S -","- C52 H40 Cu N16 O8 S -","- C104 H80 Cu2 N32 O16 S2 -","2","1","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0701","0.0551","","","0.1436","0.1522","","","","","","1.046","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210929","30.708","0.002","6.6182","0.0005","19.1423","0.0015","90","","94.254","0.002","90","","3879.6","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Co N10 O14 S -","- C32 H34 Co N10 O14 S -","- C128 H136 Co4 N40 O56 S4 -","4","0.5","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.1035","0.0836","","","0.218","0.2396","","","","","","1.063","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210930","9.0686","0.0006","9.8673","0.0007","10.1779","0.0008","96.769","0.006","94.398","0.006","102.954","0.006","876.36","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H52 Co2 N8 O2 S6 Sn2 -","- C20 H52 Co2 N8 O2 S6 Sn2 -","- C20 H52 Co2 N8 O2 S6 Sn2 -","1","0.5","","Zeisler, Christoph; Näther, Christian; Bensch, Wolfgang","A new synthetic approach to force bond formation between a transition metal complex and a thiostannate anion: solvothermal synthesis and crystal structure of [Co2(cyclam)2Sn2S6]·2H2O","CrystEngComm","2013","15","44","8874","","10.1039/c3ce40976g","","","0.71073","MoKα","","0.0361","0.0268","","","0.052","0.0539","","","","","","1.044","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210931","12.395","0.003","18.092","0.004","14.144","0.003","90","","115.46","0.03","90","","2863.8","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 Co2 N10 O33 P2 -","- C38 H74 Co2 N10 O33 P2 -","- C76 H148 Co4 N20 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0892","0.0611","","","0.1137","0.1273","","","","","","1.015","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210932","10.924","0.002","22.372","0.005","20.725","0.004","90","","90","","90","","5065","1.8","153.15","","153.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38 H62 Cu2 N10 O27 P2 -","- C38 H62 Cu2 N10 O27 P2 -","- C152 H248 Cu8 N40 O108 P8 -","4","0.5","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.055","0.0462","","","0.1139","0.1186","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210933","12.387","0.003","18.193","0.004","14.163","0.003","90","","115.87","0.03","90","","2871.9","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 N10 Ni2 O33 P2 -","- C38 H74 N10 Ni2 O33 P2 -","- C76 H148 N20 Ni4 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0998","0.0673","","","0.1197","0.1379","","","","","","1.064","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210934","11.359","0.002","14.395","0.003","14.726","0.003","90","","90","","90","","2407.9","0.8","153.15","0.02","153.15","0.02","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Co N4 O13 P -","- C19 H27 Co N4 O13 P -","- C76 H108 Co4 N16 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0461","0.0382","","","0.078","0.0813","","","","","","0.998","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210935","11.272","0.002","14.383","0.003","14.72","0.003","90","","90","","90","","2386.5","0.8","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N4 Ni O13 P -","- C19 H27 N4 Ni O13 P -","- C76 H108 N16 Ni4 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0516","0.0406","","","0.0897","0.0941","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210936","24.117","0.005","7.1088","0.0014","19.077","0.004","90","","112.94","0.03","90","","3012","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Co2 N2 O20 -","- C70 H46 Co2 N2 O20 -","- C140 H92 Co4 N4 O40 -","2","0.5","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.1658","0.0847","","","0.1764","0.2243","","","","","","1.047","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210937","18.4701","0.0016","44.767","0.005","7.2462","0.0008","90","","90","","90","","5991.5","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C70 H60 Cd2 N2 O17 -","- C70 H44 Cd2 N2 O17 -","- C280 H176 Cd8 N8 O68 -","4","0.5","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.1873","0.1115","","","0.223","0.2737","","","","","","1.05","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210938","9.9355","0.001","12.1661","0.0013","23.473","0.003","75.392","0.002","80.66","0.002","79.549","0.002","2679.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Eu N2 O12 -","- C48 H24 Eu O9 -","- C96 H48 Eu2 O18 -","2","1","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.0672","0.0511","","","0.1077","0.1132","","","","","","0.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210939","29.5937","0.0008","29.5937","0.0008","10.168","0.0005","90","","90","","90","","8905","0.6","296","2","296","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C66 H54 B2 F4 N8 O13 Zn3 -","- C66 H6 B2 F4 N8 O13 Zn3 -","- C264 H24 B8 F16 N32 O52 Zn12 -","4","0.25","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.1001","0.0771","","","0.2233","0.2415","","","","","","1.1","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210940","25.4125","0.0008","25.4125","0.0008","19.8941","0.0012","90","","90","","120","","11126.3","0.8","291","2","291","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C32 H27 B Cd F2 N4 O4 -","- C32 H27.65 B Cd F2 N4 O4 -","- C192 H165.9 B6 Cd6 F12 N24 O24 -","6","0.5","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.0821","0.0585","","","0.1704","0.1816","","","","","","1.009","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210941","11.304","0.0002","19.5436","0.0004","11.8709","0.0002","90","","92.304","0.001","90","","2620.41","0.08","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag F6 N4 O4 Sb -","- C22 H23 Ag F6 N4 O4 Sb -","- C88 H92 Ag4 F24 N16 O16 Sb4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0796","0.0468","","","0.1402","0.1634","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210942","11.2301","0.0006","19.192","0.0011","11.8597","0.0006","90","","92.214","0.002","90","","2554.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag F6 N4 O4 P -","- C22 H23 Ag F6 N4 O4 P -","- C88 H92 Ag4 F24 N16 O16 P4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0823","0.0631","","","0.1737","0.1949","","","","","","1.054","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210943","11.403","0.003","12.604","0.004","20.686","0.005","89.498","0.015","89.662","0.015","84.312","0.016","2958.3","1.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H55 Ag2 F14 N8 O8 Sb2 -","- C52 H55 Ag2 F14 N8 O8 Sb2 -","- C104 H110 Ag4 F28 N16 O16 Sb4 -","2","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.1045","0.06","","","0.1652","0.1956","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210944","11.3548","0.0005","20.4728","0.0007","12.5381","0.0004","90","","95.959","0.001","90","","2898.91","0.19","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Ag F6 N4 O4 P -","- C26 H28 Ag F6 N4 O4 P -","- C104 H112 Ag4 F24 N16 O16 P4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0888","0.0604","","","0.1916","0.2156","","","","","","1.058","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210945","7.4347","0.0004","18.1183","0.001","15.1884","0.0009","90","","95.864","0.003","90","","2035.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Ag2 F12 N4 O5 Sb2 -","- C35 H32 Ag2 F12 N4 O5 Sb2 -","- C70 H64 Ag4 F24 N8 O10 Sb4 -","2","0.5","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0453","0.0395","","","0.1003","0.1051","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210946","13.5994","0.0005","9.9972","0.0005","14.0444","0.0007","90","","90","","90","","1909.42","0.15","298","2","298","2","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C17 H16 Ag F6 N2 O3 P -","- C17 H16 Ag F6 N2 O3 P -","- C68 H64 Ag4 F24 N8 O12 P4 -","4","0.5","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0572","0.0505","","","0.1682","0.1744","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210947","7.1344","0.0002","9.0828","0.0003","16.2936","0.0006","90","","102.446","0.002","90","","1031.02","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0427","0.0342","","","0.1229","0.1377","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210948","8.8137","0.0007","11.885","0.0004","12.882","0.0004","115.13","0.001","102.974","0.002","95.33","0.002","1163.07","0.11","275","2","275","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","2","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.079","0.0524","","","0.1342","0.1524","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210949","9.357","0.0006","9.7318","0.001","9.7501","0.0005","103.814","0.004","117.36","0.003","104.07","0.004","698.71","0.1","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0717","0.0462","","","0.1128","0.1274","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210950","26.359","0.005","15.14","0.003","20.434","0.004","90","","99.63","0.03","90","","8040","3","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C288 H248 Cl4 Cu20 Gd8 I16 N24 O92 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0654","0.0591","","","0.1419","0.1477","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210951","56.02","0.018","10.073","0.003","20.97","0.007","90","","106.13","0.005","90","","11367","6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C100 H80 Cl2 Cu7 I5 La4 N8 O40 -","- C100 H80 Cl2 Cu7 I5 La4 N8 O40 -","- C400 H320 Cl8 Cu28 I20 La16 N32 O160 -","4","0.5","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0683","0.0526","","","0.1569","0.1977","","","","","","1.029","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210952","10.1624","0.0002","21.5001","0.0002","27.9291","0.0004","104.614","0.011","99.824","0.009","101.566","0.008","5625.3","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H80 Cu7 I6 La4 N8 Na O36 -","- C102 H80 Cu7 I6 La4 N8 Na O36 -","- C204 H160 Cu14 I12 La8 N16 Na2 O72 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0681","0.0556","","","0.1989","0.2106","","","","","","1.042","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210953","9.91","0.0007","16.4571","0.0011","10.5782","0.0007","90","","103.579","0.001","90","","1677","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cu2 I2 N4 -","- C12 H18 Cu2 I2 N4 -","- C48 H72 Cu8 I8 N16 -","4","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.036","0.0315","","","0.0849","0.0876","","","","","","1.069","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210954","4.2896","0.0009","10.405","0.002","12.346","0.003","110.327","0.003","95.585","0.003","92.3","0.003","512.66","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Cu2 I2 N2 -","- C6 H9 Cu2 I2 N2 -","- C12 H18 Cu4 I4 N4 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0355","0.0315","","","0.0813","0.0852","","","","","","1.047","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210955","10.3645","0.0008","10.7637","0.0009","12.0346","0.001","106.935","0.0012","90.3554","0.0013","101.801","0.0011","1254.11","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0399","0.0304","","","0.0667","0.0716","","","","","","1.02","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210956","8.3121","0.0014","12.843","0.002","10.0096","0.0017","90","","90","","90","","1068.5","0.3","298","2","298","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C6 H5 Cu2 I2 N2 -","- C6 H5 Cu2 I2 N2 -","- C24 H20 Cu8 I8 N8 -","4","0.5","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0254","0.0229","","","0.0631","0.065","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210957","7.7974","0.0016","9.6942","0.0019","11.209","0.002","115.68","0.003","101.089","0.003","109.236","0.003","662.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu I N4 -","- C12 H10 Cu I N4 -","- C24 H20 Cu2 I2 N8 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.038","0.031","","","0.0742","0.079","","","","","","1.009","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210958","43.528","0.014","4.1804","0.0013","24.057","0.007","90","","115.413","0.005","90","","3954","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu4 I4 N4 -","- C12 H10 Cu4 I4 N4 -","- C96 H80 Cu32 I32 N32 -","8","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0609","0.0381","","","0.0799","0.0898","","","","","","1.016","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210959","10.2669","0.0012","10.7531","0.0014","11.8781","0.0015","106.838","0.002","90.109","0.002","101.79","0.002","1226","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0293","0.0252","","","0.0688","0.0804","","","","","","1.154","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210960","10.2961","0.0009","10.7386","0.001","11.9132","0.001","106.768","0.001","90.207","0.001","101.726","0.001","1232.14","0.19","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0279","0.0249","","","0.0598","0.0632","","","","","","1.072","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210961","10.352","0.002","10.76","0.002","11.977","0.002","106.782","0.003","90.335","0.003","101.715","0.003","1247.7","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0398","0.0313","","","0.078","0.0892","","","","","","1.095","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210962","20.467","0.003","20.467","0.003","34.344","0.007","90","","90","","90","","14387","4","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C44 H50 Cu2 Mn2 N6 O21 -","- C44 H44 Cu2 Mn2 N6 O21 -","- C352 H352 Cu16 Mn16 N48 O168 -","8","1","","Grancha, Thais; Tourbillon, Clarisse; Ferrando-Soria, Jesús; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly of a chiral three-dimensional manganese(ii)‒copper(ii) coordination polymer with a double helical architecture","CrystEngComm","2013","15","45","9312","","10.1039/c3ce41022f","","x-ray","0.7379","monocromaticsynchrotron","","0.0842","0.0788","","","0.2218","0.2274","","","","","","1.07","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210963","7.8765","0.0007","8.8951","0.0008","9.798","0.0009","111.508","0.008","96.724","0.007","103.525","0.008","605.15","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0412","0.0341","","","0.0864","0.0907","","","","","","1.042","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210964","7.8111","0.0003","9.2247","0.0004","9.9092","0.0004","112.132","0.004","94.384","0.003","105.209","0.003","625.84","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C26 H26 Br2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.058","0.0468","","","0.0929","0.0962","","","","","","1.094","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210965","10.087","0.002","18.483","0.004","7.299","0.002","90","","103.53","0.03","90","","1323","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 I N2 O -","- C13 H13 I N2 O -","- C52 H52 I4 N8 O4 -","4","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0905","0.0385","","","0.0663","0.0753","","","","","","0.858","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210966","7.0907","0.001","9.6958","0.0009","10.6145","0.0012","98.732","0.009","101.034","0.011","110.132","0.011","653.46","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl N2 O -","- C14 H15 Cl N2 O -","- C28 H30 Cl2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0507","0.0407","","","0.1067","0.1146","","","","","","1.043","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210967","7.1357","0.0009","9.8039","0.0014","10.6502","0.0017","73.234","0.013","79.126","0.013","69.98","0.012","666.93","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Br N2 O -","- C14 H15 Br N2 O -","- C28 H30 Br2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.08","0.0497","","","0.0957","0.1086","","","","","","0.991","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210968","10.996","0.0011","18.6186","0.0017","7.3756","0.0008","90","","107.184","0.011","90","","1442.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 I N2 O -","- C14 H15 I N2 O -","- C56 H60 I4 N8 O4 -","4","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.1003","0.047","","","0.0833","0.1028","","","","","","0.963","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210969","16.712","0.002","10.3361","0.001","7.5219","0.0008","90","","110.794","0.013","90","","1214.7","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 F N2 O2 -","- C13 H15 F N2 O2 -","- C52 H60 F4 N8 O8 -","4","0.5","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0785","0.046","","","0.1145","0.132","","","","","","1.018","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210970","18.043","0.0012","7.0446","0.0006","20.792","0.002","90","","90","","90","","2642.8","0.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C104 H120 Cl8 N16 O16 -","8","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","1.54184","CuKα","","0.157","0.0738","","","0.1642","0.213","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210971","11.061","0.002","11.061","0.002","17.145","0.003","90","","90","","90","","2097.6","0.6","293","2","293","2","","","","","","","","8","P 42/n c m :2","-P 4ac 2ac","138","","","","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C16 H16 Cl8 Cu4 K8 Li4 O76 Ru8 -","4","0.25","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0633","0.0537","","","0.1501","0.1589","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210972","10.9758","0.0009","11.2844","0.001","17.2476","0.0014","90","","90","","90","","2136.2","0.3","296","2","296","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C16 H16 Br8 Cu4 K8 Li4 O76 Ru8 -","4","0.5","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0303","0.0241","","","0.0602","0.0632","","","","","","1.032","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210973","9.3967","0.0003","9.3967","0.0003","32.3703","0.0018","90","","90","","90","","2858.2","0.2","296","2","296","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H24 Cu4 I2 N4 S4 W -","- C24 H24 Cu4 I2 N4 S4 W -","- C48 H48 Cu8 I4 N8 S8 W2 -","2","0.25","","Zhang, Ming-Dao; Qin, Ling; Yao, Xiao-Qiang; Yang, Qing-Xiang; Guo, Zi-Jian; Zheng, He-Gen","The synthesis, structure and third-order nonlinear optical effect of a new 2D cluster polymer based on a [WS4Cu4]2+ SBU and 1,2-di(pyridin-4-yl)ethane","CrystEngComm","2013","15","36","7354","","10.1039/c3ce41033a","","","0.71073","MoKα","","0.0345","0.0323","","","0.1202","0.1217","","","","","","1.01","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210974","13.629","0.003","24.248","0.005","14.286","0.003","90","","104.645","0.003","90","","4567.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N2 O5 Zn -","- C18 H12 N2 O5 Zn -","- C144 H96 N16 O40 Zn8 -","8","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0623","0.0447","","","0.1201","0.1278","","","","","","0.961","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210975","10.163","0.006","10.737","0.006","11.3","0.006","74.521","0.009","89.84","0.009","68.492","0.009","1099.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N2 Ni O7 -","- C18 H10 N2 Ni O7 -","- C36 H20 N4 Ni2 O14 -","2","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0618","0.0547","","","0.1613","0.167","","","","","","1.057","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210976","9.6938","0.0014","13.682","0.002","16.569","0.002","90","","93.601","0.002","90","","2193.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N6 O5 Zn -","- C23 H15 N6 O5 Zn -","- C92 H60 N24 O20 Zn4 -","4","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0539","0.0364","","","0.0875","0.0962","","","","","","1.026","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210977","16.784","0.002","12.9256","0.0018","14.555","0.002","90","","108.565","0.002","90","","2993.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 N0 O11 Zn2 -","- C16 H6 O11 Zn2 -","- C64 H24 O44 Zn8 -","4","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0768","0.0695","","","0.2229","0.2315","","","","","","1.054","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210978","8.82","","8.9583","0.0001","10.4738","0.0005","77.724","0.017","80.631","0.017","62.901","0.011","717.79","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl Cu N O8 -","- C9 H16 Cl Cu N O8 -","- C18 H32 Cl2 Cu2 N2 O16 -","2","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0555","0.0487","","","0.1294","0.1351","","","","","","1.172","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210979","7.1898","0.0001","10.0419","0.0001","12.11","0.0001","98.042","0.013","103.19","0.008","110.599","0.009","773.24","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl2 N O8 Pr -","- C9 H16 Cl2 N O8 Pr -","- C18 H32 Cl4 N2 O16 Pr2 -","2","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0153","0.0145","","","0.0359","0.0362","","","","","","1.079","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210980","10.9253","0.0014","9.6867","0.001","18.827","0.002","90","","95.438","0.01","90","","1983.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Cl2 Eu N O11 -","- C9 H8 Cl2 Eu N O12.006 -","- C36 H32 Cl8 Eu4 N4 O48.024 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0758","0.064","","","0.1176","0.1246","","","","","","1","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210981","10.919","0.003","9.67","0.002","18.815","0.005","90","","95.275","0.004","90","","1978.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Cl2 Gd N O11 -","- C9 H8 Cl2 Gd N O12 -","- C36 H32 Cl8 Gd4 N4 O48 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0338","0.0284","","","0.0718","0.0738","","","","","","1.005","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210982","12.865","0.004","9.172","0.003","15.432","0.005","90","","113.897","0.005","90","","1664.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl2 Er N O9 -","- C9 H18 Cl1.9951 Er N O9 -","- C36 H72 Cl7.9804 Er4 N4 O36 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0338","0.0305","","","0.0707","0.0729","","","","","","1.056","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210983","15.999","0.0015","10.6917","0.0014","14.4959","0.0019","90","","116.938","0.008","90","","2210.6","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 Co2 N8 O18 -","- C42 H32 Co2 N8 O18 -","- C84 H64 Co4 N16 O36 -","2","0.5","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71073","MoKα","","0.0703","0.0468","","","0.1091","0.1179","","","","","","1.105","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210984","27.882","0.003","13.2793","0.0016","18.463","0.002","90","","107.198","0.002","90","","6530.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H50 Co3 N16 O16 -","- C66 H42 Co3 N16 O16 -","- C264 H168 Co12 N64 O64 -","4","0.5","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71073","MoKα","","0.0719","0.057","","","0.1424","0.1494","","","","","","1.042","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210985","20.096","0.001","23.088","0.001","14.616","0.001","90","","90","","90","","6781.5","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 Co2 N8 O11 -","- C33 H25 Co2 N8 O11 -","- C264 H200 Co16 N64 O88 -","8","1","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71069","MoKα","","0.0579","0.0499","","","0.1499","0.1555","","","","","","1.337","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210986","15.0103","0.0008","15.0103","0.0008","10.0791","0.0012","90","","90","","90","","2270.9","0.3","296","2","296","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C H Co N O -","- C3.03448 H1.51724 Co0.137931 N0.413793 O -","- C88 H44 Co4 N12 O29 -","29","3.625","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1061","0.0811","","","0.2106","0.2387","","","","","","1.107","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210987","17.465","0.018","9.797","0.01","16.253","0.016","90","","104.207","0.012","90","","2696","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Co N O7 -","- C13 H13 Co N O7 -","- C104 H104 Co8 N8 O56 -","8","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0467","0.0345","","","0.0864","0.0912","","","","","","1.05","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210988","7.233","0.003","10.039","0.005","10.219","0.005","114.141","0.005","99.715","0.005","103.757","0.006","627.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H0 N Ni O5 -","- C13 H11 N Ni O6 -","- C26 H22 N2 Ni2 O12 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0514","0.0403","","","0.097","0.1027","","","","","","1.044","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210989","10.344","0.007","13.377","0.009","15.091","0.01","76.574","0.009","78.994","0.008","85.999","0.008","1993","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 N12 O17 Zn4 -","- C92 H60 N12 O17 Zn4 -","- C92 H60 N12 O17 Zn4 -","1","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1921","0.0981","","","0.2324","0.2814","","","","","","0.936","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210990","10.22","0.015","13.41","0.02","15.08","0.02","76.59","0.02","78.429","0.017","86.24","0.02","1969","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 Co4 N12 O17 -","- C92 H60 Co4 N12 O17 -","- C92 H60 Co4 N12 O17 -","1","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.2603","0.089","","","0.1816","0.2595","","","","","","0.947","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210991","12.824","0.009","10.318","0.007","31.48","0.02","90","","101.75","","90","","4078","5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C H Co N O -","- C3.92157 H2.35294 Co0.156863 N0.470588 O0.627451 -","- C200 H120 Co8 N24 O32 -","51","12.75","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.097","0.0588","","","0.1296","0.1424","","","","","","0.923","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210992","10.254","0.004","13.361","0.006","16.14","0.005","90","","125.468","0.018","90","","1800.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N6 Ni2 O13 -","- C30 H40 N6 Ni2 O13 -","- C60 H80 N12 Ni4 O26 -","2","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0475","0.0404","","","0.1033","0.1081","","","","","","1.071","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210993","8.318","0.01","10.274","0.016","10.462","0.011","110.18","0.01","102.095","0.011","98.619","0.013","796.2","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H0 N0 O0 Pb -","- C18 H11 N2 O4 Pb -","- C36 H22 N4 O8 Pb2 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0479","0.0432","","","0.1063","0.1084","","","","","","1.058","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210994","20.547","0.009","9.966","0.005","15.687","0.007","90","","99.638","0.006","90","","3167","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C41 H0 Co N0 O0 -","- C25 H16 Co N5 O6 -","- C100 H64 Co4 N20 O24 -","4","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1095","0.0788","","","0.2189","0.2438","","","","","","1.077","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210995","9.94","0.02","10.51","0.02","10.98","0.02","74.51","0.03","67.11","0.03","74.83","0.03","1002","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Co N3 O9 -","- C19 H13 Co N3 O9 -","- C38 H26 Co2 N6 O18 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.2175","0.0822","","","0.1619","0.2081","","","","","","0.818","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210996","12.2391","0.0009","16.214","0.0009","18.1327","0.001","106.807","0.005","103.456","0.006","105.134","0.006","3134.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Eu2 N5 O26 P3 -","- C46 H38 Eu2 N5 O26 P3 -","- C92 H76 Eu4 N10 O52 P6 -","2","1","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.1184","0.0769","","","0.195","0.2274","","","","","","1.03","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210997","34.882","0.004","12.059","0.002","15.391","0.003","90","","90","","90","","6474.1","1.8","293","2","293","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C44 H51 Eu2 N4 O28 P3 -","- C44 H31 Eu2 N4 O28 P3 -","- C176 H124 Eu8 N16 O112 P12 -","4","0.5","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.148","0.0752","","","0.1593","0.1892","","","","","","0.944","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210998","9.2371","0.0003","9.8604","0.0003","30.4599","0.001","96.869","0.003","92.323","0.002","92.071","0.002","2749.81","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H38 Eu2 N5 O24 P3 -","- C47 H38 Eu2 N5 O24 P3 -","- C94 H76 Eu4 N10 O48 P6 -","2","1","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.0737","0.0594","","","0.127","0.1343","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210999","33.0001","0.0004","33.0001","0.0004","33.0001","0.0004","90","","90","","90","","35937.3","0.8","293","2","293","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C330 H534 N51 O75 Tb3 -","- C132 H72 O27 Tb3 -","- C528 H288 O108 Tb12 -","4","0.0833333","","He, Yabing; Furukawa, Hiroyasu; Wu, Chuande; O'Keeffe, Michael; Chen, Banglin","A mesoporous lanthanide‒organic framework constructed from a dendritic hexacarboxylate with cages of 2.4 nm","CrystEngComm","2013","15","45","9328","","10.1039/c3ce41062e","","","0.71073","MoKα","","0.1777","0.0698","","","0.1495","0.1675","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211000","5.893","0.0007","8.8346","0.0011","15.801","0.002","99.553","0.006","99.826","0.007","109.432","0.006","742.11","0.17","296","2","296","2","","","","","","","synthesis","7","P 1","P 1","1","complex2","Complex2","","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","1","1","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.0647","0.057","","","0.1466","0.1515","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211001","18.365","0.004","21.101","0.005","27.684","0.006","90","","90","","90","","10728","4","296","2","296","2","","","","","","","syn","6","C 2 2 21","C 2c 2","20","complex3","Complex3","","- C78 H114 Cs Cu3 N7 O27 -","- C78 H102 Cs Cu3 N6 O18 -","- C312 H408 Cs4 Cu12 N24 O72 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1373","0.1041","","","0.2668","0.2883","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211002","17.675","0.005","21.173","0.005","26.561","0.005","90","","90","","90","","9940","4","296","2","296","2","","","","","","","synthesis","7","C 2 2 21","C 2c 2","20","Complex5","Complex5","","- C78 H102 Br Cu3 K N6 O23 -","- C78 H102 Br Cu3 K N6 O23 -","- C312 H408 Br4 Cu12 K4 N24 O92 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1428","0.057","","","0.1232","0.1631","","","","","","1.037","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211003","18.5555","0.0012","20.9943","0.0013","27.1327","0.0016","90","","90","","90","","10569.8","1.1","296","2","296","2","","","","","","","syn","7","C 2 2 21","C 2c 2","20","Complex6","Complex6","","- C80 H96 Cu3 I K N6 O27 -","- C80 H96 Cu3 I K N6 O27 -","- C320 H384 Cu12 I4 K4 N24 O108 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1504","0.1101","","","0.3032","0.3224","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211004","6.115","0.002","6.85","0.001","20.781","0.002","90","","90","","90","","870.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Cl N O3 -","- C5 H14 Cl N O3 -","- C20 H56 Cl4 N4 O12 -","4","1","","Adhikari, Soma; Seth, Saikat Kumar; Kar, Tanusree","Structural studies and physicochemical properties of l-valine hydrochloride monohydrate","CrystEngComm","2013","15","36","7372","","10.1039/c3ce41079j","","","0.71073","MoKα","","0.0178","0.0178","","","0.0465","0.0465","","","","","","1.171","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211005","12.2465","0.0018","8.9751","0.0013","21.857","0.003","90","","116.809","0.006","90","","2144.2","0.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N6 O4 -","- C26 H22 N6 O4 -","- C104 H88 N24 O16 -","4","1","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71073","MoKα","","0.11","0.0957","","","0.167","0.173","","","","","","1.29","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211006","10.959","0.01","12.244","0.01","14.385","0.017","87.42","0.05","88.82","0.05","68.55","0.05","1795","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H70 Mn N20 O19 -","- C78 H66 Mn N20 O18 -","- C78 H66 Mn N20 O18 -","1","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71075","MoKα","","0.164","0.0977","","","0.207","0.241","","","","","","1.125","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211007","8.861","0.005","13.585","0.007","19.115","0.009","97.849","0.004","94.829","0.006","106.464","0.01","2167.6","1.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H70 Cl12 Mn N20 O18 -","- C78 H66 Mn N18 O12 -","- C78 H66 Mn N18 O12 -","1","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.6889","synchrotron","","0.137","0.119","","","0.338","0.355","","","","","","1.078","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211008","35.385","0.011","8.383","0.003","20.831","0.006","90","","122.313","0.005","90","","5222","3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H51 Mn N15 O15 -","- C55 H51 Mn N15 O15 -","- C220 H204 Mn4 N60 O60 -","4","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71073","MoKα","","0.127","0.0839","","","0.182","0.199","","","","","","1.084","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211009","11.4086","0.0015","25.257","0.003","12.6476","0.0017","90","","103.292","0.003","90","","3546.7","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cu9 N12 O43 S4 -","- C44 H42 Cu9 N12 O43 S4 -","- C88 H84 Cu18 N24 O86 S8 -","2","0.5","","Zhu, Xia; Zhao, Shan; Peng, Yan-Fen; Li, Bao-Long; Wu, Bing","A (3,14)-connected three-dimensional metal‒organic framework based on the unprecedented enneanuclear copper(ii) cluster [Cu9(μ3-OH)4(μ2-OH)2]","CrystEngComm","2013","15","44","9154","","10.1039/c3ce41086b","","","0.71075","MoKα","","0.0934","0.0743","","","0.1752","0.1909","","","","","","1.076","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211010","7.6333","0.0003","24.1332","0.0011","30.5291","0.0014","90","","93.505","0.003","90","","5613.4","0.4","228","2","228","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MMPF-7","","","- C48 H24 In1.29 N4 O8.57 -","- C48 H24 In1.285 N4 O8.57 -","- C192 H96 In5.14 N16 O34.28 -","4","0.5","","Gao, Wen-Yang; Zhang, Zhuxiu; Cash, Lindsay; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Two rare indium-based porous metal‒metalloporphyrin frameworks exhibiting interesting CO2 uptake","CrystEngComm","2013","15","45","9320","","10.1039/c3ce41090k","","","1.54178","CuKα","","0.0758","0.0535","","","0.1291","0.1367","","","","","","0.951","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211011","41.982","0.002","21.5588","0.0012","43.755","0.002","90","","92.635","0.001","90","","39560","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","MMPF-8","","","- C72 H40 In2 N4 O10 -","- C72 H40 In2 N4 O10 -","- C1152 H640 In32 N64 O160 -","16","4","","Gao, Wen-Yang; Zhang, Zhuxiu; Cash, Lindsay; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Two rare indium-based porous metal‒metalloporphyrin frameworks exhibiting interesting CO2 uptake","CrystEngComm","2013","15","45","9320","","10.1039/c3ce41090k","","","0.41328","synchrotron","","0.1043","0.0699","","","0.177","0.1891","","","","","","1.049","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211012","15.1849","0.0004","17.0797","0.0004","18.8731","0.0004","90","","97.172","0.002","90","","4856.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Cu2 N3 O10 -","- C30 H29 Cu2 N3 O10 -","- C120 H116 Cu8 N12 O40 -","4","0.5","","Ju, Zhanfeng; Yuan, Daqiang","Wings waving: coordinating solvent-induced structural diversity of new Cu(ii) flexible MOFs with crystal to crystal transformation and gas sorption capability","CrystEngComm","2013","15","45","9513","","10.1039/c3ce41095a","","","1.54184","CuKα","","0.0528","0.048","","","0.1491","0.156","","","","","","1.069","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211013","10.6325","0.0009","10.7258","0.0008","18.3532","0.0014","76.671","0.006","86.717","0.006","74.278","0.007","1960.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cu2 N O10 -","- C24 H15 Cu2 N O10 -","- C48 H30 Cu4 N2 O20 -","2","1","","Ju, Zhanfeng; Yuan, Daqiang","Wings waving: coordinating solvent-induced structural diversity of new Cu(ii) flexible MOFs with crystal to crystal transformation and gas sorption capability","CrystEngComm","2013","15","45","9513","","10.1039/c3ce41095a","","","1.54184","CuKα","","0.1269","0.0903","","","0.2137","0.2342","","","","","","0.982","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211014","25.622","0.002","13.8443","0.0013","25.612","0.004","90","","116.582","0.001","90","","8124.7","1.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 N0 O16 Si2 Zn3 -","- C56 H34 O16 Si2 Zn3 -","- C224 H136 O64 Si8 Zn12 -","4","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0595","0.0536","","","0.1259","0.1282","","","","","","1.006","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211015","13.935","0.0016","14.196","0.003","14.6708","0.0017","107.988","0.002","113.735","0.001","100.298","0.002","2368.8","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H84 N6 O24 Si2 Zn5 -","- C82 H84 N6 O24 Si2 Zn5 -","- C82 H84 N6 O24 Si2 Zn5 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0963","0.0777","","","0.2562","0.2693","","","","","","1","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211016","13.9817","0.0019","14.1817","0.0019","14.27","0.003","115.922","0.002","113.196","0.002","97.144","0.001","2183.4","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.034","0.0326","","","0.0805","0.0813","","","","","","1.007","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211017","13.875","0.007","14.072","0.007","14.208","0.007","116.3","0.005","109.724","0.005","101.428","0.005","2133.1","1.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0549","0.0491","","","0.117","0.1213","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211018","38.22","0.02","29.788","0.019","25.377","0.016","90","","99.005","0.008","90","","28536","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H66 O39 Si4 Zn9 -","- C112 H66 O39 Si4 Zn9 -","- C448 H264 O156 Si16 Zn36 -","4","1","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.2487","0.0803","","","0.1782","0.1895","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211019","12.706","0.004","12.706","0.004","23.817","0.008","90","","90","","90","","3845","2","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C28 H16 O10 Si Zn2 -","- C28 H16 O10 Si Zn2 -","- C56 H32 O20 Si2 Zn4 -","2","0.125","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.1014","0.0537","","","0.1166","0.127","","","","","","1.008","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211020","13.775","0.004","14.507","0.004","24.244","0.007","83.217","0.003","81.797","0.003","65.572","0.003","4357","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H32 Cd4 O20 Si2 -","- C56 H32 Cd4 O20 Si2 -","- C112 H64 Cd8 O40 Si4 -","2","1","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.152","0.1254","","","0.2771","0.2893","","","","","","1.008","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211021","36.85","0.02","7.469","0.004","8.756","0.005","90","","90","","90","","2410","2","173","2","173","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C26 H26 Mg N0 O5 S -","- C26 H26 Mg O5 S -","- C104 H104 Mg4 O20 S4 -","4","0.25","","Liu, Yangyang; Chen, Ying-Pin; Liu, Tian-Fu; Yakovenko, Andrey A.; Raiff, Aaron M.; Zhou, Hong-Cai","Selective gas adsorption and unique phase transition properties in a stable magnesium metal-organic framework constructed from infinite metal chains","CrystEngComm","2013","15","45","9688","","10.1039/c3ce41106k","","","0.71073","MoKα","","0.1139","0.0676","","","0.1946","0.2291","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211022","9.8606","0.0015","11.6737","0.0017","12.5124","0.0018","66.93","0.002","74.602","0.003","65.787","0.002","1199.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cd3 F12 N2 O20 -","- C36 H38 Cd3 F12 N2 O20 -","- C36 H38 Cd3 F12 N2 O20 -","1","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0439","0.0358","","","0.1167","0.1531","","","","","","1.015","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211023","5.4767","0.0007","10.4619","0.0013","17.4891","0.0019","90","","106.381","0.004","90","","961.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cd F4 N2 O8 -","- C14 H18 Cd F4 N2 O8 -","- C28 H36 Cd2 F8 N4 O16 -","2","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0255","0.0239","","","0.0723","0.0733","","","","","","1.074","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211024","18.597","0.004","17.566","0.003","19.258","0.004","90","","116.427","0.002","90","","5633.7","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl12 N4 Na2 O17 Zn2 -","- C37 H32 Cl12 N4 Na2 O17 Zn2 -","- C148 H128 Cl48 N16 Na8 O68 Zn8 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0856","0.0637","","","0.1737","0.197","","","","","","1.033","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211025","10.3749","0.0008","17.7228","0.0014","14.3154","0.0011","90","","106.919","0.002","90","","2518.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl6 K N2 O7 Zn -","- C17 H14 Cl6 K N2 O7 Zn -","- C68 H56 Cl24 K4 N8 O28 Zn4 -","4","1","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0563","0.0373","","","0.1167","0.1364","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211026","14.426","0.003","47.197","0.008","7.0539","0.0013","90","","107.58","0.008","90","","4578.4","1.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 Cd8 F32 O59 -","- C64 H54 Cd8 F32 O59 -","- C128 H108 Cd16 F64 O118 -","2","0.25","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0803","0.0556","","","0.1293","0.1362","","","","","","1.099","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211027","5.349","0.002","12.309","0.006","15.159","0.006","90","","95.851","0.009","90","","992.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cl4 O14 Zn -","- C8 H20 Cl4 O14 Zn -","- C16 H40 Cl8 O28 Zn2 -","2","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0713","0.0597","","","0.1689","0.1716","","","","","","1.055","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211028","24.377","0.003","24.377","0.003","24.856","0.005","90","","90","","120","","12792","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H36 Co9 N36 Na6 O66 -","- C48 H6 Co9 N36 Na6 O66 -","- C144 H18 Co27 N108 Na18 O198 -","3","0.166667","","Tian, Dan; Liu, Sui-Jun; Chang, Ze; Zhang, Ying-Hui; Zhao, Jiong-Peng; Bu, Xian-He","Edge-directed assembly of a 3D 2p–3d heterometallic metal–organic framework based on a cubic Co8(TzDC)12 cage","CrystEngComm","2013","15","45","9344","","10.1039/c3ce41117f","","","0.71073","MoKα","","0.2073","0.1868","","","0.534","0.5476","","","","","","2.188","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211029","23.91","0.003","23.91","0.003","23.91","0.003","90","","90","","90","","13669","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H36 O32 Zr6 -","- C72 H36 O32 Zr6 -","- C288 H144 O128 Zr24 -","4","0.0208333","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0734","0.0701","","","0.1881","0.1934","","","","","","1.089","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211030","16.994","0.003","18.454","0.004","22.477","0.004","90","","90","","90","","7049","2","296","2","296","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C48 H24 Hf6 O32 -","- C48 H24 Hf6 O32 -","- C96 H48 Hf12 O64 -","2","0.125","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0547","0.05","","","0.1512","0.1619","","","","","","1.18","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211031","17.6","0.002","17.6","0.002","22.6","0.004","90","","90","","90","","7000.6","1.7","293","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C48 H24 Hf6 O32 -","- C48 H24 Hf6 O32 -","- C96 H48 Hf12 O64 -","2","0.0625","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0579","0.0554","","","0.1624","0.1642","","","","","","1.17","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211032","22.53","0.005","25.38","0.005","16.9","0.003","90","","90","","90","","9664","3","296","2","296","2","","","","","","","","4","C m m a","-C 2a 2","67","","","","- C40 H24 O32 Zr6 -","- C40 H24 O32 Zr6 -","- C160 H96 O128 Zr24 -","4","0.25","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.1512","0.123","","","0.3064","0.3232","","","","","","1.527","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211033","13.0268","0.0004","23.255","0.0006","10.1923","0.0003","90","","90","","90","","3087.64","0.15","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C69 H50 In2 N4 O14 -","- C69 H50 In2 N4 O14 -","- C138 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.0978","0.0587","","","0.1544","0.1814","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211034","12.4606","0.0003","23.6079","0.0007","10.0948","0.0003","90","","90","","90","","2969.57","0.14","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C65 H50 In2 N4 O14 -","- C65 H50 In2 N4 O14 -","- C130 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.1326","0.0717","","","0.2095","0.2542","","","","","","1.038","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211035","18.7659","0.0011","18.7659","0.0011","11.3114","0.0013","90","","90","","120","","3449.7","0.5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","1","0.166667","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.1406","0.1045","","","0.3207","0.3418","","","","","","1.187","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211036","29.26","0.04","9.821","0.014","18.95","0.03","90","","113.821","0.017","90","","4982","13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cu N O5 -","- C24 H21 Cu N O5 -","- C192 H168 Cu8 N8 O40 -","8","1","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.102","0.0582","","","0.2105","0.232","","","","","","0.707","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211037","18.041","0.0038","27.83","0.0058","24.1272","0.0051","90","","106.695","0.003","90","","11603","4","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C118 H142 Cu4 N10 O88 P W12 -","- C118 H142 Cu4 N10 O88 P W12 -","- C236 H284 Cu8 N20 O176 P2 W24 -","2","0.5","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.1178","0.0673","","","0.2236","0.2716","","","","","","1.063","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211038","10.3697","0.0004","12.6801","0.0003","7.7756","0.0002","90","","109.059","0.004","90","","966.36","0.06","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H8 N3 Na O3 S3 -","- C3 H8 N3 Na O3 S3 -","- C12 H32 N12 Na4 O12 S12 -","4","2","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0315","0.029","","","0.0797","0.0931","","","","","","1.16","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211039","10.453","0.0002","12.7369","0.0002","7.86207","0.00017","90","","109.644","0.002","90","","985.83","0.03","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N3 Na O3 S3 -","- C3 H8 N3 Na O3 S3 -","- C12 H32 N12 Na4 O12 S12 -","4","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0263","0.0254","","","0.0708","0.0716","","","","","","1.077","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211040","7.3438","0.0004","10.3247","0.0004","11.6813","0.0005","76.285","0.003","80.914","0.004","87.551","0.004","849.64","0.07","298.6","0.2","298.6","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 K2 N6 O2 S6 -","- C6 H8 K2 N6 O2 S6 -","- C12 H16 K4 N12 O4 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0401","0.0372","","","0.1028","0.1066","","","","","","1.054","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211041","7.3545","0.0003","10.5336","0.0004","11.7338","0.0005","76.921","0.004","80.641","0.004","88.73","0.004","873.54","0.06","298.6","0.8","298.6","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 N6 O2 Rb2 S6 -","- C6 H8 N6 O2 Rb2 S6 -","- C12 H16 N12 O4 Rb4 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0366","0.0325","","","0.0885","0.0928","","","","","","1.068","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211042","7.5673","0.0003","11.2806","0.0006","11.4428","0.0004","107.984","0.004","94.103","0.003","102.469","0.004","897.06","0.07","298.9","0.8","298.9","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10.5 N6 O3 Rb1.5 S6 -","- C6 H10.5 N6 O3 Rb1.5 S6 -","- C12 H21 N12 O6 Rb3 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0303","0.0295","","","0.0745","0.075","","","","","","1.222","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211043","5.1031","0.0003","7.9838","0.0006","10.9408","0.0006","96.431","0.005","103.27","0.005","104.265","0.005","413.7","0.05","300","0.14","300","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 Cs N3 S3 -","- C3 H2 Cs N3 S3 -","- C6 H4 Cs2 N6 S6 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0307","0.0301","","","0.0852","0.0857","","","","","","1.149","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211044","5.41409","0.00008","21.2829","0.0003","14.9761","0.0002","90","","92.3402","0.0013","90","","1724.22","0.04","300","0.14","300","0.14","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Cs2 N6 S6 -","- C6 H4 Cs2 N6 S6 -","- C24 H16 Cs8 N24 S24 -","4","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0478","0.046","","","0.1207","0.1236","","","","","","1.223","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211045","15.435","0.007","6.762","0.003","8.883","0.004","90","","96.343","0.002","90","","921.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 N4 O2 -","- C16 H32 N4 O2 -","- C32 H64 N8 O4 -","2","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211046","6.092","0.003","7.325","0.004","12.473","0.006","73.828","0.003","83.507","0.003","87.597","0.002","531.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N4 O4 -","- C18 H32 N4 O4 -","- C18 H32 N4 O4 -","1","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211047","14.183","0.003","6.159","0.001","9.889","0.002","90","","98.383","0.001","90","","854.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N2 O2 -","- C16 H30 N2 O2 -","- C32 H60 N4 O4 -","2","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211048","6.616","0.005","11.643","0.005","30.632","0.005","90","0.005","95.291","0.005","90","0.005","2350","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag N11 O8 -","- C16 H22 Ag N11 O8 -","- C64 H88 Ag4 N44 O32 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0449","0.0318","","","0.0761","0.0817","","","","","","1.068","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211049","6.72","0.005","11.611","0.005","30.232","0.005","90","","95.504","0.005","90","","2348","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","N9-propyladenine-N1-oxide_AgBF4","","","- C16 H22 Ag B F4 N10 O4 -","- C16 H22 Ag B F4 N10 O4 -","- C64 H88 Ag4 B4 F16 N40 O16 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0816","0.0575","","","0.1554","0.1941","","","","","","1.046","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211050","16.106","0.005","6.901","0.005","21.48","0.005","90","0.005","93.47","0.005","90","0.005","2383","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag F6 N10 O3 P -","- C16 H22 Ag F6 N10 O3 P -","- C64 H88 Ag4 F24 N40 O12 P4 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.1013","0.0701","","","0.1751","0.2182","","","","","","1.094","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211051","20.15","0.005","6.903","0.005","20.342","0.005","90","0.005","116.516","0.005","90","0.005","2532","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Ag F3 N10 O7 S -","- C17 H24 Ag F3 N10 O7 S -","- C68 H96 Ag4 F12 N40 O28 S4 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0949","0.0588","","","0.135","0.1551","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211052","12.7023","0.0017","9.2602","0.0012","13.3792","0.0017","90","","117.315","0.002","90","","1398.3","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Ag2 Cl2 N10 O13 -","- C16 H22 Ag2 Cl2 N10 O13 -","- C32 H44 Ag4 Cl4 N20 O26 -","2","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71073","MoKα","","0.0416","0.0399","","","0.1036","0.1056","","","","","","1.066","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211053","9.303","0.0003","5.169","0.0002","24.7981","0.0008","90","","98.872","0.002","90","","1178.2","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O8 Pb2 -","- C24 H18 N2 O8 Pb2 -","- C48 H36 N4 O16 Pb4 -","2","0.5","","Akhbari, Kamran; Morsali, Ali","Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers","CrystEngComm","2013","15","44","8915","","10.1039/c3ce41171k","","","0.71073","MoKα","","0.0523","0.047","","","0.0899","0.0916","","","","","","1.323","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211054","16.581","0.006","7.331","0.003","14.377","0.006","90","","109.247","0.006","90","","1649.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O4 Pb -","- C20 H12 N2 O4 Pb -","- C80 H48 N8 O16 Pb4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers","CrystEngComm","2013","15","44","8915","","10.1039/c3ce41171k","","","0.71073","MoKα","","0.0356","0.0316","","","0.1095","0.1187","","","","","","1.082","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211055","13.9323","0.0011","9.9261","0.0008","17.7413","0.0013","90","","112.95","0.002","90","","2259.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cu F6 N3 O5 -","- C19 H17 Cu F6 N3 O5 -","- C76 H68 Cu4 F24 N12 O20 -","4","1","","Chanthapally, Anjana; Oh, Wei Ting; Vittal, Jagadese J.","[2 + 2] Cycloaddition reaction as a tool to monitor the formation of thermodynamically stable ladder coordination polymers","CrystEngComm","2013","15","45","9324","","10.1039/c3ce41176a","","","0.71073","MoKα","","0.0773","0.064","","","0.1519","0.1615","","","","","","1.045","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211056","8.017","0.0006","10.1567","0.0003","11.0657","0.0011","78.156","0.011","89.947","0.015","77.156","0.013","858.85","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag I3 Mn O9 -","- Ag I3 Mn O9 -","- Ag4 I12 Mn4 O36 -","4","2","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.04","0.0344","","","0.0749","0.0765","","","","","","1.117","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211057","7.1101","0.0003","7.6749","0.0003","10.2429","0.0004","90.078","0.003","103.552","0.003","99.571","0.003","535.35","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag I4 Mn O12 -","- Ag I4 Mn O12 -","- Ag2 I8 Mn2 O24 -","2","1","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.0185","0.0159","","","0.0326","0.0333","","","","","","1.058","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211058","6.6378","0.0003","6.8724","0.0003","10.0243","0.0005","73.544","0.004","72.194","0.004","81.327","0.004","416.51","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag3 I6 Mn O18 -","- Ag3 I6 Mn O18 -","- Ag3 I6 Mn O18 -","1","0.5","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.0248","0.0196","","","0.0395","0.0425","","","","","","1.046","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211059","14.7676","0.0018","19.224","0.0014","19.7451","0.0016","65.774","0.002","87.413","0.003","67.535","0.002","4682.3","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H83 Cd3 N3 O25 -","- C66 H54 Cd3 O22 -","- C132 H108 Cd6 O44 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0624","0.0528","","","0.1665","0.1671","","","","","","1.06","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211060","16.1796","0.0015","19.1505","0.0017","19.5848","0.0012","112.451","0.002","93.548","0.003","104.215","0.002","5353.9","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H96 Mn3 N5 O26.5 -","- C72 H68 Mn3 N2 O22 -","- C144 H136 Mn6 N4 O44 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0667","0.0567","","","0.1545","0.156","","","","","","1.096","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211061","15.26","0.002","17.273","0.003","20.297","0.003","99.832","0.002","104.423","0.003","115.202","0.002","4448.1","1.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C155 H167 Co7 N7 O51 -","- C152 H152 Co7 N6 O46 -","- C152 H152 Co7 N6 O46 -","1","0.5","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0682","0.0589","","","0.1568","0.1594","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211062","14.692","0.002","18.436","0.003","19.8419","0.0016","115.514","0.002","96.834","0.003","108.036","0.002","4408","1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H94 N4 O28 Zn3 -","- C72 H68 N2 O23 Zn3 -","- C144 H136 N4 O46 Zn6 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0584","0.0546","","","0.1376","0.1383","","","","","","1.075","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211063","13.2907","0.001","5.1776","0.0004","25.343","0.002","90","","110.038","0.006","90","","1638.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenazopyridine","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C72 H68 N20 O12 -","4","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0716","0.0482","","","0.1192","0.14","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211064","4.7841","0.0002","9.317","0.0003","18.9162","0.0003","90","","92.498","0.002","90","","842.36","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","phenazopyridine","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C36 H34 N10 O6 -","2","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0652","0.0537","","","0.1438","0.1656","","","","","","1.062","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211065","26.8924","0.0007","5.1332","0.0001","13.0371","0.0004","90","","100.854","0.003","90","","1767.5","0.08","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","phenazopyridine","","","- C18 H19 N5 O4 -","- C18 H19 N5 O4 -","- C72 H76 N20 O16 -","4","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0474","0.0379","","","0.0907","0.1062","","","","","","1.061","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7211066","14.327","0.002","17.039","0.003","6.49","0.0011","90","","90","","90","","1584.3","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H20 N O4 P -","- C15 H20 N O4 P -","- C60 H80 N4 O16 P4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0858","0.0797","","","0.1674","0.1706","","","","","","1.056","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211067","9.8501","0.0012","11.0661","0.0018","17.707","0.002","92.032","0.011","92.94","0.01","111.728","0.013","1787.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 N2 O3 P S -","- C16 H19 N2 O3 P S -","- C64 H76 N8 O12 P4 S4 -","4","2","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0855","0.0613","","","0.1539","0.1693","","","","","","1.014","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211068","12.06","0.002","10.7171","0.001","13.9639","0.0013","90","","90.435","0.011","90","","1804.8","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 Ni O6 P2 S2 -","- C32 H36 N4 Ni O6 P2 S2 -","- C64 H72 N8 Ni2 O12 P4 S4 -","2","0.5","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0507","0.0397","","","0.0976","0.1049","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211069","8.306","0.0017","9.0369","0.0018","14.377","0.003","90","","90","","90","","1079.1","0.4","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Au Eu2 Si3 -","- Au0.996 Eu2 Si3.004 -","- Au7.968 Eu16 Si24.032 -","8","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)","CrystEngComm","2013","15","39","8006","","10.1039/c3ce41198b","","","0.71073","MoKα","","0.0346","0.032","","","0.0709","0.074","","","","","","1.008","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211070","8.2003","0.0016","14.187","0.003","16.869","0.003","90","","90","","90","","1962.5","0.7","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Au0.98 Si3.02 Yb2 -","- Au0.982 Si3.018 Yb2 -","- Au15.712 Si48.288 Yb32 -","16","0.5","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)","CrystEngComm","2013","15","39","8006","","10.1039/c3ce41198b","","","0.71073","MoKα","","0.0793","0.0433","","","0.088","0.1017","","","","","","1.034","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211071","14.791","0.003","17.227","0.003","25.476","0.005","90","","101.96","0.03","90","","6350","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H82 Cl4 Cu N8 O28 -","- C48 H82 Cl4 Cu N8 O28 -","- C192 H328 Cl16 Cu4 N32 O112 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.0987","0.0817","","","0.21","0.2239","","","","","","1.034","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211072","14.231","0.003","16.882","0.003","26.121","0.005","90","","98.73","0.03","90","","6203","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl2 Fe N10 O18 S2 -","- C50 H78 Cl2 Fe N10 O18 S2 -","- C200 H312 Cl8 Fe4 N40 O72 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.710698","synchrotron","","0.1","0.0825","","","0.2426","0.2592","","","","","","1.036","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211073","14.138","0.003","16.749","0.003","26.051","0.005","90","","99.11","0.03","90","","6091","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl2 N10 Ni O18 S2 -","- C50 H78 Cl2 N10 Ni O18 S2 -","- C200 H312 Cl8 N40 Ni4 O72 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.1017","0.0695","","","0.1849","0.212","","","","","","1.053","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211074","17.576","0.004","14.207","0.003","25.869","0.005","90","","95.43","0.03","90","","6431","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H84 Cl4 N8 Ni O30 -","- C48 H84 Cl4 N8 Ni O30 -","- C192 H336 Cl16 N32 Ni4 O120 -","4","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.1746","0.097","","","0.2335","0.2742","","","","","","1.015","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211075","17.7217","0.0005","14.2395","0.0005","25.8471","0.0007","90","","95.929","0.001","90","","6487.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Cl4 N8 O30 Zn -","- C48 H84 Cl4 N8 O30 Zn -","- C192 H336 Cl16 N32 O120 Zn4 -","4","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","MoKα","","0.1005","0.0851","","","0.1467","0.1534","","","","","","1.195","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211076","9.5947","0.0003","10.3589","0.0003","14.8323","0.0004","86.675","0.001","88.007","0.001","85.2","0.001","1465.88","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 N6 O4 S2 Zn -","- C26 H36 N6 O4 S2 Zn -","- C52 H72 N12 O8 S4 Zn2 -","2","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","MoKα","","0.0328","0.0311","","","0.0862","0.0938","","","","","","1.121","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211077","12.6015","0.0003","23.5649","0.0004","23.6458","0.0005","90","","90","","90","","7021.7","0.3","123.01","0.15","123.01","0.15","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H94 Cl2 Fe N10 O20 S2 -","- C58 H94 Cl2 Fe N10 O20 S2 -","- C232 H376 Cl8 Fe4 N40 O80 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","1.5418","CuKα","","0.0735","0.0503","","","0.1315","0.1434","","","","","","1.063","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211078","16.366","0.002","16.366","0.002","10.158","0.002","90","","90","","90","","2720.8","0.7","123","2","123","2","","","","","","","","6","P 4","P 4","75","","","","- C50 H72 Cu N10 O8 S2 -","- C50 H72 Cu N10 O8 S2 -","- C100 H144 Cu2 N20 O16 S4 -","2","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.710698","synchrotron","","0.2808","0.205","","","0.4817","0.5275","","","","","","1.55","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211079","9.344","0.002","18.507","0.006","14.312","0.003","90","","94.404","0.02","90","","2467.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Dy O10 -","- C28 H17 Dy O10 -","- C112 H68 Dy4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1954","0.0905","","","0.1753","0.2502","","","","","","0.93","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211080","9.3363","0.0004","18.4457","0.001","14.3315","0.0007","90","","94.174","0.005","90","","2461.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 O10 Tb -","- C28 H17 O10 Tb -","- C112 H68 O40 Tb4 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1017","0.0654","","","0.1468","0.1772","","","","","","1.036","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211081","9.3657","0.0005","18.4465","0.001","14.386","0.0011","90","","94.004","0.006","90","","2479.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Gd O10 -","- C28 H17 Gd O10 -","- C112 H68 Gd4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1365","0.0706","","","0.1243","0.1583","","","","","","1.014","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211082","9.3135","0.0004","18.5484","0.0011","14.2816","0.0007","90","","94.483","0.004","90","","2459.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Ho O10 -","- C28 H17 Ho O10 -","- C112 H68 Ho4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0924","0.0487","","","0.0696","0.0859","","","","","","1","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211083","9.2869","0.0003","18.5404","0.0009","14.2415","0.0006","90","","94.635","0.003","90","","2444.12","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Er O10 -","- C28 H17 Er O10 -","- C112 H68 Er4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0701","0.0427","","","0.0572","0.0668","","","","","","1.003","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211084","9.3601","0.0007","18.417","0.0015","14.3938","0.001","90","","93.847","0.007","90","","2475.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Eu O10 -","- C28 H17 Eu O10 -","- C112 H68 Eu4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0665","0.0396","","","0.0683","0.0789","","","","","","1.023","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211085","9.7896","0.0008","11.5519","0.0008","12.6529","0.0019","74.677","0.009","72.626","0.01","72.086","0.007","1275.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 Dy2 O24 -","- C56 H42 Dy2 O24 -","- C56 H42 Dy2 O24 -","1","0.5","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0809","0.0554","","","0.0777","0.0898","","","","","","1.04","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211086","9.8077","0.0019","11.548","0.002","12.6506","0.0016","74.508","0.013","72.369","0.014","71.967","0.017","1274.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 O12 Tb -","- C28 H21 O12 Tb -","- C56 H42 O24 Tb2 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.071","0.0504","","","0.0898","0.102","","","","","","1.076","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211087","9.7629","0.0011","11.5128","0.0007","12.6274","0.001","74.605","0.006","72.647","0.009","72.2","0.008","1265.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Gd O12 -","- C28 H21 Gd O12 -","- C56 H42 Gd2 O24 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0693","0.049","","","0.0733","0.0817","","","","","","1.028","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211088","9.7886","0.0007","11.5573","0.0008","12.5972","0.0012","74.649","0.007","72.626","0.007","71.873","0.006","1269.19","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Ho O12 -","- C28 H21 Ho O12 -","- C56 H42 Ho2 O24 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0443","0.036","","","0.0628","0.0693","","","","","","1.077","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211089","9.8061","0.0009","11.5898","0.0008","12.6074","0.001","74.575","0.006","72.548","0.008","71.682","0.007","1274.08","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 Er2 O24 -","- C56 H42 Er2 O24 -","- C56 H42 Er2 O24 -","1","0.5","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.077","0.0547","","","0.0878","0.1","","","","","","1.048","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211090","12.201","0.006","23.969","0.012","18.375","0.006","90","","123.08","0.02","90","","4503","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H86 Co4 N6 O18 P4 -","- C90 H86 Co4 N6 O18 P4 -","- C180 H172 Co8 N12 O36 P8 -","2","0.5","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0748","0.0505","","","0.1098","0.1224","","","","","","1.016","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211091","16.7089","0.0013","33.4493","0.0017","18.7258","0.0011","90","","97.315","0.003","90","","10380.7","1.1","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H83 Mn5 N8 O22 P2 -","- C96 H83 Mn5 N8 O22 P2 -","- C384 H332 Mn20 N32 O88 P8 -","4","1","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0862","0.0614","","","0.1429","0.1502","","","","","","0.994","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211092","32.705","0.003","23.209","0.002","29.898","0.003","90","","100.549","0.001","90","","22311","4","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H93 Mn5 N12 O24 P2 -","- C105 H93 Mn5 N12 O24 P2 -","- C840 H744 Mn40 N96 O192 P16 -","8","1","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0969","0.0633","","","0.1387","0.1465","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211093","21.3091","0.0013","27.1193","0.0014","32.2464","0.0012","90","","90","","90","","18634.8","1.6","291","2","291","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C167 H151 Mn10 N15 O44 P8 -","- C167 H151 Mn10 N15 O44 P8 -","- C668 H604 Mn40 N60 O176 P32 -","4","0.5","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0519","0.051","","","0.1238","0.1241","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211094","23.908","0.004","10.0503","0.0018","17.068","0.003","90","","90","","90","","4101.1","1.2","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H38 N10 O18 Zn3 -","- C32 H38 N10 O18 Zn3 -","- C128 H152 N40 O72 Zn12 -","4","0.5","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0807","0.0476","","","0.1163","0.1335","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211095","9.718","0.002","9.962","0.003","13.971","0.003","90","","128.918","0.011","90","","1052.3","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H25 N5 O6 Zn -","- C19 H25 N5 O6 Zn -","- C38 H50 N10 O12 Zn2 -","2","0.5","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0557","0.0439","","","0.1048","0.1122","","","","","","1.042","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211096","11.044","0.002","11.997","0.002","17.106","0.003","87.79","0.03","74.9","0.03","79.42","0.03","2150.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H37 N10 O5 Zn2 -","- C49 H37 N10 O5 Zn2 -","- C98 H74 N20 O10 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0817","0.0475","","","0.1224","0.1459","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211097","10.9728","0.0019","12.61","0.002","16.807","0.003","77.404","0.002","79.051","0.002","89.147","0.002","2227.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 N10 O6 Zn2 -","- C51 H36 N10 O6 Zn2 -","- C102 H72 N20 O12 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0574","0.0396","","","0.105","0.1125","","","","","","1.078","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211098","11.358","0.004","15.04","0.006","15.209","0.006","72.965","0.005","84.833","0.006","81.685","0.005","2454.8","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H38 N10 O3.5 Zn2 -","- C49 H38 N10 O3.5 Zn2 -","- C98 H76 N20 O7 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.1154","0.081","","","0.2475","0.2774","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211099","12.411","0.003","14.631","0.003","16.969","0.003","66.11","0.03","78.09","0.03","72.06","0.03","2668.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 N10 O8 Zn2 -","- C56 H56 N10 O8 Zn2 -","- C112 H112 N20 O16 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0813","0.0489","","","0.1269","0.1458","","","","","","1.011","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211100","6.897","0.003","45.92","0.02","8.08","0.004","90","","94.826","0.007","90","","2550","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O -","- C34 H26 N2 O -","- C136 H104 N8 O4 -","4","1","","Zhang, Yujian; Sun, Jingwei; Lv, Xiaojing; Ouyang, Mi; Cao, Feng; Pan, Guoxiang; Pan, Luping; Fan, Guangbo; Yu, Weiwei; He, Chao; Zheng, Sishi; Zhang, Feng; Wang, Wei; Zhang, Cheng","Heating and mechanical force-induced “turn on” fluorescence of cyanostilbene derivative with H-type stacking","CrystEngComm","2013","15","44","8998","","10.1039/c3ce41221k","","","0.71073","MoKα","","0.1298","0.0865","","","0.2139","0.231","","","","","","1.065","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211101","7.9698","0.0017","9.389","0.002","15.464","0.003","90","","92.31","0.005","90","","1156.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0805","0.0548","","","0.1305","0.1436","","","","","","1.08","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211102","5.1665","0.001","18.453","0.004","18.155","0.003","90","","90","","90","","1730.9","0.6","273","2","273","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C15 H8 Ag F3 N2 O4 S -","- C15 H8 Ag F3 N2 O4 S -","- C60 H32 Ag4 F12 N8 O16 S4 -","4","0.5","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0767","0.0667","","","0.1843","0.1935","","","","","","1.034","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211103","11.093","0.004","12.53","0.004","12.33","0.004","90","","93.515","0.006","90","","1710.6","1","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Ag F3 N2 O4 S -","- C15 H8 Ag F3 N2 O4 S -","- C60 H32 Ag4 F12 N8 O16 S4 -","4","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0307","0.0272","","","0.0698","0.072","","","","","","1.079","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211104","14.141","0.003","15.663","0.003","16.402","0.003","90","","108.459","0.006","90","","3446","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H34 Ag3 F9 N8 O14 S3 -","- C59 H34 Ag3 F9 N8 O14 S3 -","- C118 H68 Ag6 F18 N16 O28 S6 -","2","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71075","MoKα","","0.0979","0.0828","","","0.2318","0.255","","","","","","1.077","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211105","8.671","0.006","12.162","0.008","13.095","0.008","110.238","0.012","95.823","0.013","93.793","0.013","1281.4","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N9 O15 -","- C20 H19 N9 O15 -","- C40 H38 N18 O30 -","2","1","","Manna, Prankrishna; Seth, Saikat Kumar; Mitra, Monojit; Das, Amrita; Singh, N. Jiten; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata","A successive layer-by-layer assembly of supramolecular frameworks driven by a novel type of face-to-face π±-π+ interactions","CrystEngComm","2013","15","39","7879","","10.1039/c3ce41230j","","","0.71073","MoKα","","0.0513","0.0377","","","0.0981","0.11","","","","","","1.029","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211106","25.791","0.002","25.791","0.002","11.1284","0.0013","90","","90","","120","","6410.6","1","213","2","213","2","","","","","","","","6","R -3 :H","-R 3","148","","bis-Thiocyanato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole)cadmium(II), solvate with 0.66 Dichloromethane","","- C22.667 H29.333 Cd Cl1.333 N10 S2 -","- C22.6667 H28 Cd Cl1.3336 N10 S2 -","- C204 H252 Cd9 Cl12.0024 N90 S18 -","9","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0404","0.0353","","","0.0786","0.0807","","","","","","1.136","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211107","14.4685","0.0012","22.858","0.003","23.048","0.003","90","","90","","90","","7622.5","1.5","213","2","213","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 6 Chloroform","","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C192 H248 Cd8 Cl72 F24 N72 S8 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0687","0.0577","","","0.1557","0.1624","","","","","","1.046","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211108","19.522","0.0008","19.522","0.0008","33.791","0.003","90","","90","","90","","12878","1.4","213","2","213","2","","","","","","","","8","P 42/m","-P 4c","84","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 2 Dichloromethane","","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C352 H480 Cd16 Cl32 F48 N144 S16 Si8 -","8","1","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.065","0.0559","","","0.1487","0.1544","","","","","","0.994","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7211109","13.6869","0.001","15.5383","0.0009","15.877","0.0012","90","","90.047","0.008","90","","3376.6","0.4","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","mu-Hexafluorosilicato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole) cadmium(II), Hexahydrate","","- C20 H40 Cd F6 N8 O6 Si -","- C20 H28 Cd F6 N8 O6 Si -","- C80 H112 Cd4 F24 N32 O24 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0339","0.0312","","","0.0788","0.0795","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7211110","15.893","0.0012","11.8892","0.0011","16.7929","0.0012","90","","91.161","0.003","90","","3172.5","0.4","213","2","213","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","mu-Hexafluorosilicato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole) cadmium(II), Solvate with 1.5 Dichloromethane","","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C86 H124 Cd4 Cl12 F24 N32 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0305","0.0291","","","0.0731","0.0738","","","","","","1.098","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211111","15.219","0.003","75.54","0.015","14.401","0.003","90","","90","","90","","16556","6","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54 H56 Cu3 N14 O18 -","- C48 H42 Cu3 N12 O16 -","- C384 H336 Cu24 N96 O128 -","8","1","","Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.","Using hinged ligands to target structurally flexible copper(ii) MOFs","CrystEngComm","2013","15","45","9663","","10.1039/c3ce41244j","","","0.7107","Synchrotron","","0.0934","0.0815","","","0.2502","0.2618","","","","","","1.029","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211112","19.4251","0.0009","36.589","0.002","37.762","0.002","90","","114.202","0.004","90","","24480","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C140 H188 Cu6 N30 O38 -","- C104 H100 Cu6 N16 O20 -","- C416 H400 Cu24 N64 O80 -","4","1","","Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.","Using hinged ligands to target structurally flexible copper(ii) MOFs","CrystEngComm","2013","15","45","9663","","10.1039/c3ce41244j","","","0.7107","Synchrotron","","0.0795","0.0573","","","0.1634","0.1746","","","","","","0.971","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211113","5.36","0.0003","8.5693","0.0007","13.4999","0.0011","98.83","0.004","93.8","0.005","95.524","0.005","607.8","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","lithium hemibenzoate","","- C14 H11 Li O4 -","- C14 H11 Li O4 -","- C28 H22 Li2 O8 -","2","1","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0948","0.0538","","","0.1173","0.1327","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211114","5.8077","0.0001","14.4331","0.0004","22.0139","0.0006","90","","97.047","0.002","90","","1831.33","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium benzoate.2benzoic acid","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0526","0.0405","","","0.0957","0.1023","","","","","","1.043","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211115","29.586","0.002","3.7964","0.0003","11.1214","0.0008","90","","97.096","0.009","90","","1239.59","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","potassium hemibenzoate","","- C14 H11 K O4 -","- C14 H11 K O4 -","- C56 H44 K4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0545","0.0432","","","0.1054","0.1114","","","","","","1.051","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211116","29.347","0.004","3.8697","0.0005","11.3973","0.0016","90","","95.478","0.007","90","","1288.4","0.3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","rubidium hemibenzoate 6-coordinate polymorph 100 K","","- C14 H11 O4 Rb -","- C14 H11 O4 Rb -","- C56 H44 O16 Rb4 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71075","MoKα","","0.0253","0.025","","","0.0685","0.0687","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211117","29.0315","0.0009","6.963","0.0002","6.6156","0.0002","90","","99.297","0.002","90","","1319.75","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rubidium hemibenzoate 8 coordinate polymorph","","- C14 H11 O4 Rb -","- C14 H11 O4 Rb -","- C56 H44 O16 Rb4 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0302","0.0278","","","0.0704","0.0723","","","","","","1.115","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211118","28.9095","0.0008","7.0509","0.0002","6.7779","0.0002","90","","99.97","0.002","90","","1360.73","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cesium hemibenzoate monoclinic polymorph","","- C14 H11 Cs O4 -","- C14 H11 Cs O4 -","- C56 H44 Cs4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0196","0.0189","","","0.0457","0.0459","","","","","","1.083","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211119","28.3393","0.0019","7.0215","0.0003","6.9066","0.0004","90","","90","","90","","1374.31","0.14","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","cesium hemibenzoate orthorhombic phase","","- C14 H11 Cs O4 -","- C14 H11 Cs O4 -","- C56 H44 Cs4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0426","0.0312","","","0.0503","0.054","","","","","","1.176","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211120","15.125","0.003","6.941","0.001","11.257","0.002","90","","94.76","0.03","90","","1177.7","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C0 H0 F1.5 N0 Na1.5 O5 U -","- F1.5 Na1.5 O5 U -","- F12 Na12 O40 U8 -","8","1","","Chen, Fei; Wang, Congzhi; Shi, Weiqun; Zhang, Miao; Liu, Caiming; Zhao, Yuliang; Chai, Zhifang","Two new uranyl fluoride complexes with UVIO‒alkali (Na, Cs) interactions: Experimental and theoretical studies","CrystEngComm","2013","15","39","8041","","10.1039/c3ce41261j","","","0.71073","MoKα","","0.0217","0.0198","","","0.047","0.0479","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211121","12.1485","0.0012","11.8621","0.0013","12.3655","0.0012","90","","90","","90","","1782","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs F5 O4 U2 -","- Cs F5 O4 U2 -","- Cs8 F40 O32 U16 -","8","0.5","","Chen, Fei; Wang, Congzhi; Shi, Weiqun; Zhang, Miao; Liu, Caiming; Zhao, Yuliang; Chai, Zhifang","Two new uranyl fluoride complexes with UVIO‒alkali (Na, Cs) interactions: Experimental and theoretical studies","CrystEngComm","2013","15","39","8041","","10.1039/c3ce41261j","","","0.71073","MoKα","","0.0306","0.0273","","","0.0701","0.0719","","","","","","1.006","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211122","20.4","0.009","9.284","0.009","7.13","0.007","90","","108.7","0.04","90","","1279.1","1.9","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co0.84 Mn0.16 N O5 -","- C13 H9 Co0.84 Mn0.16 N O5 -","- C52 H36 Co3.36 Mn0.64 N4 O20 -","4","0.5","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.7107","MoKα","","0.109","0.063","","","0.1314","0.1448","","","","","","1.036","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211123","19.2638","0.0011","7.1952","0.0005","9.2847","0.0007","90","","90","","90","","1286.92","0.15","296","","296","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.84 Mn0.16 N O5 -","- C13 H9 Co0.84 Mn0.16 N O5 -","- C52 H36 Co3.36 Mn0.64 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.7107","MoKα","","0.0865","0.0568","","","0.1106","0.1213","","","","","","1.083","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211124","20.4094","0.0013","9.1206","0.0005","7.1342","0.0004","90","","109.377","0.005","90","","1252.78","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.5","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.71073","MoKα","","0.0925","0.0732","","","0.1834","0.1964","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211125","19.2841","0.0015","7.1837","0.0007","9.2835","0.0009","90","","90","","90","","1286.1","0.2","566","2","566","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","1.54184","CuKα","","0.0642","0.0485","","","0.1108","0.1367","","","","","","1.159","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211126","19.4519","0.0009","7.3237","0.0004","9.326","0.0005","90","","90","","90","","1328.58","0.12","150","2","150.15","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.35 Mn0.65 N O5 -","- C13 H9 Co0.35 Mn0.65 N O5 -","- C52 H36 Co1.4 Mn2.6 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.71073","MoKα","","0.0548","0.0405","","","0.0948","0.103","","","","","","1.055","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211127","7.5611","0.0006","14.9501","0.0011","10.3894","0.0006","90","","123.74","0.004","90","","976.6","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide hydrochloride salt","","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0281","0.0257","","","0.0709","0.0729","","","","","","1.061","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211128","7.6316","0.0006","15.2521","0.0011","10.6249","0.0006","90","","124.184","0.004","90","","1023.06","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide hydrobromide salt","","","- C9 H12 Br N O2 -","- C9 H12 Br N O2 -","- C36 H48 Br4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0266","0.021","","","0.0489","0.0508","","","","","","1.038","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211129","9.0833","0.0006","5.1811","0.0004","16.3294","0.0011","90","","91.011","0.001","90","","768.37","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Salicylamide hydrochloride salt","","","- C7 H8 Cl N O2 -","- C7 H8 Cl N O2 -","- C28 H32 Cl4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0331","0.0275","","","0.0752","0.0794","","","","","","1.095","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211130","38.522","0.005","38.522","0.005","3.9027","0.0005","90","","90","","120","","5015.5","1.1","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","Ethenzamide HNO3 salt","","","- C54 H57 N15 O37 -","- C54 H57 N15 O37 -","- C162 H171 N45 O111 -","3","0.333333","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0852","0.065","","","0.2001","0.2149","","","","","","1.517","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211131","6.7925","0.0017","14.67","0.004","11.674","0.003","90","","95.785","0.003","90","","1157.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide HClO4 salt","","","- C9 H12 Cl N O6 -","- C9 H12 Cl N O6 -","- C36 H48 Cl4 N4 O24 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0388","0.033","","","0.0834","0.0869","","","","","","1.056","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211132","10.2073","0.0007","5.0535","0.0003","16.909","0.0011","90","","104.791","0.001","90","","843.31","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SalicylamidE HNO3 salt","","","- C7 H8 N2 O5 -","- C7 H8 N2 O5 -","- C28 H32 N8 O20 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.037","0.0322","","","0.0855","0.0893","","","","","","1.077","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211133","18.6631","0.0017","5.1858","0.0005","20.166","0.0018","90","","106.852","0.001","90","","1867.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Salicylamide HClO4 salt","","","- C7 H8 Cl N O6 -","- C7 H8 Cl N O6 -","- C56 H64 Cl8 N8 O48 -","8","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0477","0.0338","","","0.0819","0.0882","","","","","","1.058","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211134","5.8473","0.0004","23.1474","0.0015","7.2982","0.0005","90","","95.948","0.001","90","","982.49","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acetaminophen hydrobromide monohydrate salt","","","- C8 H12 Br N O3 -","- C8 H12 Br N O3 -","- C32 H48 Br4 N4 O12 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0349","0.0271","","","0.0594","0.0619","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211135","26.813","0.005","5.6138","0.0011","13.838","0.003","90","","90.014","0.002","90","","2082.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Phenacetin hemi hydrochloride","","","- C20 H27 Cl N2 O4 -","- C20 H27 Cl N2 O4 -","- C80 H108 Cl4 N8 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0346","0.0327","","","0.0991","0.1077","","","","","","1.105","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211136","6.7923","0.0004","13.4759","0.0008","14.1913","0.0008","76.127","0.001","77.312","0.001","87.962","0.001","1230.08","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Phenacetin hydrochloride salt trihydrate","","","- C20 H33 Cl2 N2 O7 -","- C20 H33 Cl2 N2 O7 -","- C40 H66 Cl4 N4 O14 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.063","0.0508","","","0.1715","0.1835","","","","","","1.315","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211137","13.3","0.0007","12.1554","0.0007","28.501","0.0014","90","","111.742","0.002","90","","4279.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phenacetin hemi hydrobromide","","","- C20 H27 Br N2 O4 -","- C20 H27 Br N2 O4 -","- C160 H216 Br8 N16 O32 -","8","2","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0423","0.0285","","","0.0665","0.0717","","","","","","1.008","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211138","6.8379","0.0008","13.72","0.0016","14.2131","0.0017","76.208","0.002","77.572","0.002","87.122","0.002","1264.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Phenacetin hydrobromide trihydrate","","","- C20 H33 Br2 N2 O7 -","- C20 H33 Br2 N2 O7 -","- C40 H66 Br4 N4 O14 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0417","0.0331","","","0.0921","0.0969","","","","","","1.042","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211139","8.945","0.003","10.17","0.003","11.149","0.003","111.26","0.03","100.11","0.03","97.47","0.03","909.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1456","0.0786","","","0.1391","0.1611","","","","","","1.111","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211140","8.747","0.003","10.231","0.003","10.915","0.003","110.96","0.03","98.49","0.03","98","0.03","882.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0687","0.0461","","","0.1253","0.1343","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211141","7.629","0.002","33.472","0.009","10.073","0.003","90","","98.39","0.03","90","","2544.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N4 O8.5 -","- C28 H25 N4 O8.5 -","- C112 H100 N16 O34 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1186","0.0657","","","0.1374","0.1598","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211142","7.449","0.002","33.32","0.008","10.028","0.003","90","","97.88","0.03","90","","2465.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N4 O8.5 -","- C28 H25 N4 O8.5 -","- C112 H100 N16 O34 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0614","0.0464","","","0.1026","0.109","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211143","3.78","0.002","41.196","0.01","11.65","0.004","90","","92.69","0.03","90","","1812.1","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0453","0.0366","","","0.075","0.0784","","","","","","1.056","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211144","3.706","0.002","41.15","0.01","11.564","0.004","90","","92.44","0.03","90","","1761.9","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0389","0.0339","","","0.0716","0.0736","","","","","","1.053","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211145","4.278","0.002","12.561","0.004","17.37","0.006","94.86","0.03","92.76","0.03","99.14","0.03","916.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1656","0.0689","","","0.1043","0.1281","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211146","4.265","0.002","12.485","0.004","17.03","0.006","94.22","0.03","91.27","0.03","100.04","0.03","889.9","0.6","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0727","0.0394","","","0.0739","0.0787","","","","","","1.019","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211147","7.479","0.003","8.702","0.003","14.642","0.004","104.49","0.03","92.07","0.03","105.2","0.03","885.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0518","0.0439","","","0.1088","0.1132","","","","","","1.089","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211148","15.8046","0.001","18.7688","0.001","20.6949","0.0012","90","","102.839","0.003","90","","5985.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 N10 O32 P6 Zn7 -","- C108 H146 N10 O32 P6 Zn7 -","- C216 H292 N20 O64 P12 Zn14 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0887","0.0632","","","0.1422","0.1593","","","","","","1.097","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211149","15.836","0.006","22.682","0.008","18.49","0.007","90","","105.99","0.006","90","","6385","4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H150 N14 O48 P6 Zn9 -","- C96.006 H114 N14 O48 P6 Zn9 -","- C192.012 H228 N28 O96 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0658","0.0609","","","0.1685","0.173","","","","","","1.121","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211150","15.827","0.006","22.632","0.008","18.636","0.006","90","","106.024","0.006","90","","6416","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H150 N14 O48 P6 Zn9 -","- C96 H114 N13.994 O48 P6 Zn9 -","- C192 H228 N27.988 O96 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.1048","0.0859","","","0.1974","0.2085","","","","","","1.204","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211151","15.789","0.006","18.802","0.007","20.84","0.008","90","","103.286","0.007","90","","6021","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 N10 O32 P6 Zn7 -","- C108 H146 N10 O32 P6 Zn7 -","- C216 H292 N20 O64 P12 Zn14 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0595","0.0451","","","0.1227","0.1338","","","","","","1.039","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211152","18.768","0.009","28.89","0.014","9.479","0.005","90","","90","","90","","5140","4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H24 N3 O7.5 S Zn -","- C24 H19 N3 O6 S Zn -","- C192 H152 N24 O48 S8 Zn8 -","8","1","","Wei, Na; Zhang, Ya-Ru; Han, Zheng-Bo","Thiadiazole-functional porous metal‒organic framework as luminescent probe for Cd2+","CrystEngComm","2013","15","44","8883","","10.1039/c3ce41308j","","","0.71073","MoKα","","0.0933","0.09","","","0.2343","0.2358","","","","","","1.205","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211153","12.7243","0.0013","14.7895","0.0015","19.099","0.0019","106.503","0.001","95.497","0.001","99.092","0.001","3365","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H33 Ag7 Cl N20 O40 P W11 -","- C30 H29 Ag7 Cl N20 O40 P W11 -","- C60 H58 Ag14 Cl2 N40 O80 P2 W22 -","2","1","","Shi, Zhen-yu; Peng, Jun; Li, Yang-guang; Zhang, Zhe-yu; Yu, Xia; Alimaje, Kundawlet; Wang, Xiang","Assembly of multinuclear Ag complexes and Keggin polyoxometalates adjusted by organic ligands: syntheses, structures and luminescence","CrystEngComm","2013","15","37","7583","","10.1039/c3ce41312h","","","0.71073","MoKα","","0.0761","0.0553","","","0.1492","0.1601","","","","","","1.077","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211154","20.222","0.005","20.222","0.005","14.199","0.005","90","0.005","90","0.005","90","0.005","5806","3","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H22 Ag3 N10 O42 P W12 -","- C24 H18 Ag3 N10 O42 P W12 -","- C96 H72 Ag12 N40 O168 P4 W48 -","4","0.5","","Shi, Zhen-yu; Peng, Jun; Li, Yang-guang; Zhang, Zhe-yu; Yu, Xia; Alimaje, Kundawlet; Wang, Xiang","Assembly of multinuclear Ag complexes and Keggin polyoxometalates adjusted by organic ligands: syntheses, structures and luminescence","CrystEngComm","2013","15","37","7583","","10.1039/c3ce41312h","","","0.71069","MoKα","","0.0845","0.0531","","","0.1004","0.1125","","","","","","1.178","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211155","5.5406","0.0006","11.413","0.0013","12.5086","0.0015","64.504","0.002","88.982","0.002","81.527","0.002","705.23","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Cl4 Co N4 O10 S2 -","- C24 H16 Cl4 Co N4 O10 S2 -","- C24 H16 Cl4 Co N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0632","0.0424","","","0.0916","0.1006","","","","","","1.023","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211156","10.026","0.001","10.3105","0.001","10.8084","0.0011","67.618","0.001","74.945","0.001","64.458","0.001","926.02","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H10 Cd Cl2 N3 O5 S -","- C17 H10 Cd Cl2 N3 O5 S -","- C34 H20 Cd2 Cl4 N6 O10 S2 -","2","1","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0206","0.0196","","","0.0499","0.0504","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211157","16.236","0.002","10.7795","0.0014","22.336","0.003","90","","110.571","0.002","90","","3659.9","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Cl2 N3 O4 S Zn -","- C17 H10 Cl2 N3 O4 S Zn -","- C136 H80 Cl16 N24 O32 S8 Zn8 -","8","1","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.024","0.0216","","","0.0565","0.0578","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211158","10.642","0.0011","16.0895","0.0016","18.2984","0.0019","64.614","0.002","89.078","0.002","79.539","0.002","2776.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H78 Cl6 Cu6 N16 O37 S6 -","- C92 H68 Cl6 Cu6 N16 O37 S6 -","- C92 H68 Cl6 Cu6 N16 O37 S6 -","1","0.5","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0762","0.0454","","","0.0983","0.112","","","","","","1","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211159","18.7028","0.0047","18.7028","0.0047","18.2028","0.006","90","","90","","90","","6367","3","295","","295","","","","","","","","","5","I 4/m m m","-I 4 2","139","MIL125-NH2","","","- C24 H39 N3 O29 Ti4 -","- C30 H15 N5 O50.875 Ti4 -","- C60 H30 N10 O101.75 Ti8 -","2","0.0625","","Smalley, Adam P.; Reid, David G.; Tan, Jin Chong; Lloyd, Gareth O.","Alternative synthetic methodology for amide formation in the post-synthetic modification of Ti-MIL125-NH2","CrystEngComm","2013","15","45","9368","","10.1039/c3ce41332b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.06929","4.663","","","","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211160","9.6931","0.0006","11.3006","0.0008","14.3505","0.001","73.455","0.003","81.523","0.003","81.699","0.004","1481.66","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 La N3 O11.5 -","- C25.5 H20.5 La N3 O10.8 -","- C51 H41 La2 N6 O21.6 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0699","0.0596","","","0.166","0.1777","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211161","9.6675","0.0008","11.2358","0.001","14.3181","0.0011","73.513","0.004","81.448","0.004","82.179","0.005","1467.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Ce N3 O11.5 -","- C25.5 H20.5 Ce N3 O10.7 -","- C51 H41 Ce2 N6 O21.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.116","0.0833","","","0.2081","0.2348","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211162","9.6508","0.0007","11.3218","0.0009","14.3139","0.0011","73.017","0.004","81.282","0.004","81.99","0.004","1471","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Pr -","- C25.5 H20.5 N3 O10.7 Pr -","- C51 H41 N6 O21.4 Pr2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0907","0.0719","","","0.1974","0.2177","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211163","9.6255","0.0003","11.3582","0.0004","14.3241","0.0005","72.709","0.002","81.124","0.002","81.892","0.002","1469.81","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 Nd O11.5 -","- C25.5 H20.5 N3 Nd O10.7 -","- C51 H41 N6 Nd2 O21.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0671","0.0575","","","0.1591","0.1713","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211164","9.5818","0.0005","11.4188","0.0007","14.313","0.0008","72.293","0.003","80.953","0.003","81.968","0.003","1466.23","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Sm -","- C25.5 H20.5 N3 O10.9 Sm -","- C51 H41 N6 O21.8 Sm2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0843","0.0659","","","0.1803","0.1987","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211165","9.5632","0.0003","11.4212","0.0004","14.3028","0.0005","72.138","0.002","80.833","0.002","81.905","0.002","1460.86","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Eu N3 O11.5 -","- C25.5 H20.5 Eu N3 O10.2 -","- C51 H41 Eu2 N6 O20.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0687","0.0539","","","0.1402","0.154","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211166","9.5532","0.0006","11.4479","0.0007","14.3067","0.0008","71.998","0.003","80.74","0.003","81.872","0.003","1461.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Gd N3 O11.5 -","- C25.5 H20.5 Gd N3 O10.9 -","- C51 H41 Gd2 N6 O21.8 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0744","0.0619","","","0.1527","0.1649","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211167","9.471","0.003","11.43","0.004","14.264","0.004","71.787","0.012","80.912","0.008","82.319","0.011","1442.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Tb -","- C25.5 H20.5 N3 O10.9 Tb -","- C51 H41 N6 O21.8 Tb2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.1648","0.0967","","","0.2182","0.2556","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211168","10.513","0.002","10.585","0.002","13.976","0.003","75.452","0.017","74.622","0.018","89.947","0.017","1447.9","0.5","215","2","215","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 Cd Co2 N O9 -","- C27 H23 Cd Co2 N O9 -","- C54 H46 Cd2 Co4 N2 O18 -","2","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.102","0.0598","","","0.1281","0.1401","","","","","","0.896","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211169","10.2788","0.001","10.2788","0.001","26.373","0.003","90","","90","","90","","2786.4","0.5","213","2","213","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H24 Co2 O12 Zn -","- C24 H24 Co2 O12 Zn -","- C96 H96 Co8 O48 Zn4 -","4","0.25","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0408","0.029","","","0.0736","0.0763","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211170","10.3301","0.001","10.2174","0.0011","26.267","0.003","90","","90","","93.932","0.008","2765.9","0.5","180","2","180","2","","","","","","","","5","I 1 1 2/b","-I 2b","15","","","","- C24 H17.5 Co2 O8.75 Zn -","- C24 H16 Co2 O8.75 Zn -","- C96 H64 Co8 O35 Zn4 -","4","0.5","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0947","0.0687","","","0.1961","0.2108","","","","","","1.005","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7211171","10.5609","0.0006","10.5609","0.0006","22.641","0.0016","90","","90","","90","","2525.2","0.3","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C25.5 H22 Co2 Cu O9.5 -","- C25.5 H22 Co2 Cu O9.5 -","- C102 H88 Co8 Cu4 O38 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.0668","0.0454","","","0.1081","0.1153","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211172","10.5985","0.0012","10.5985","0.0012","20.4","0.003","90","","90","","90","","2291.5","0.5","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C24.5 H18 Co2 Cu O8.5 -","- C24.5 H18 Co2 Cu O8.5 -","- C98 H72 Co8 Cu4 O34 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.1071","0.0765","","","0.224","0.2422","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211173","6.8096","0.0012","12.27","0.003","14.134","0.003","84.323","0.016","78.295","0.015","79.696","0.016","1135.3","0.4","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H16 Co F6 N2 O4 P Zn -","- C22 H16 Co F6 N2 O4 P Zn -","- C44 H32 Co2 F12 N4 O8 P2 Zn2 -","2","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0724","0.044","","","0.099","0.1055","","","","","","0.873","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211174","16.6224","0.0013","11.4498","0.0008","23.447","0.003","90","","90","","90","","4462.5","0.7","213","2","213","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co F6 N2 O4 P Zn -","- C22 H16 Co F6 N2 O4 P Zn -","- C176 H128 Co8 F48 N16 O32 P8 Zn8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0662","0.042","","","0.0802","0.0853","","","","","","0.83","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211175","16.541","0.0016","11.1592","0.0007","23.5962","0.0018","90","","90","","90","","4355.5","0.6","180","2","180","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co Cu F6 N2 O4 P -","- C22 H16 Co Cu F6 N2 O4 P -","- C176 H128 Co8 Cu8 F48 N16 O32 P8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0748","0.0523","","","0.1232","0.1327","","","","","","0.953","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211176","7.566","0.0003","11.56","0.0004","12.262","0.0004","74.727","0.002","76.51","0.002","78.804","0.002","995.93","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O8 S -","- C20 H20 N2 O8 S -","- C40 H40 N4 O16 S2 -","2","1","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","x-ray","0.71073","MoKα","","0.0483","0.034","","","0.0765","0.083","","","","","","1.02","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211177","10.4318","0.0006","16.658","0.001","10.1656","0.0005","90","","90","","90","","1766.51","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H16 N2 O10 S -","- C16 H16 N2 O10 S -","- C64 H64 N8 O40 S4 -","4","0.5","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","","0.71073","MoKα","","0.0779","0.0361","","","0.0681","0.075","","","","","","0.803","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211178","15.876","0.003","23.562","0.005","12.514","0.003","90","","117.77","0.03","90","","4142","1.9","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Ca N2 O11 S -","- C16 H16 Ca N2 O11 S -","- C128 H128 Ca8 N16 O88 S8 -","8","1","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","x-ray","1.54184","CuKα","","0.067","0.05","","","0.1346","0.1436","","","","","","1.058","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211179","23.643","0.009","10.85","0.005","34.239","0.015","90","","100.091","0.011","90","","8647","6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H56 Mn3 N4 O19 -","- C72 H56 Mn3 N4 O19 -","- C288 H224 Mn12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.1128","0.0872","","","0.2307","0.252","","","","","","1.014","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211180","29.96","0.007","20.191","0.005","16.386","0.004","90","","110.129","0.004","90","","9307","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Mn3 N4 O19 -","- C64 H50 Mn3 N4 O19 -","- C256 H200 Mn12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.1427","0.0977","","","0.275","0.3136","","","","","","1.006","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211181","47.138","0.012","75.02","0.02","10.521","0.003","90","","90","","90","","37205","17","273","2","273","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C64 H54 Mn3 N4 O21 -","- C64 H54 Mn3 N4 O21 -","- C1024 H864 Mn48 N64 O336 -","16","1","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.124","0.0696","","","0.1448","0.1593","","","","","","1.066","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211182","15.3269","0.0012","25.4411","0.0018","31.096","0.002","73.244","0.002","80.178","0.002","82.093","0.002","11390","1.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H107 Mn6 N6 O43 -","- C131 H104 Mn6 N6 O43 -","- C262 H208 Mn12 N12 O86 -","2","1","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.187","0.0836","","","0.1836","0.1985","","","","","","1.004","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211183","32.393","0.003","10.8402","0.0012","20.303","0.002","90","","96.286","0.002","90","","7086.5","1.2","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","m-HOPhO-BsubPc","(3-Hydroxyphenolato)(subphthalocyaninato)boron","","- C45 H32 B N6 O2 -","- C45 H32 B N6 O2 -","- C360 H256 B8 N48 O16 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0977","0.052","","","0.1182","0.1382","","","","","","1.021","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211184","16.211","0.0011","9.4838","0.0006","20.4044","0.0014","90","","110.991","0.004","90","","2928.8","0.3","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-HOPhO-BsubPc","(4-Hydroxyphenolato)(subphthalocyaninato)boron","","- C37 H25 B N6 O2 -","- C37 H25 B N6 O2 -","- C148 H100 B4 N24 O8 -","4","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.0384","0.0346","","","0.0857","0.0887","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211185","8.9397","0.0005","12.8974","0.0008","13.0121","0.0007","105.828","0.003","109.874","0.003","99.661","0.003","1299.94","0.14","150","1","150","1","","","","","","","","6","P -1","-P 1","2","m-HOPhO-BsubPc","(3-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30.69 H19 B Cl1.38 N6 O2.31 -","- C30.69 H19 B Cl1.38 N6 O2.31 -","- C61.38 H38 B2 Cl2.76 N12 O4.62 -","2","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.0697","0.0674","","","0.1732","0.1743","","","","","","1.195","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211186","9.845","0.0009","11.2012","0.001","12.2165","0.001","107.938","0.002","106.262","0.002","101.412","0.002","1169.37","0.18","147","2","147","2","","","","","","","","5","P -1","-P 1","2","p-HOPhO-BsubPc","(4-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30 H17 B N6 O2 -","- C30 H17 B N6 O2 -","- C60 H34 B2 N12 O4 -","2","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0507","0.0388","","","0.093","0.1007","","","","","","1.036","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211187","26.2251","0.0013","11.7733","0.0007","12.0258","0.0006","90","","92.248","0.003","90","","3710.2","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HO-BsubPc","(Hydroxo)(subphthalocyaninato)boron","","- C24 H13 B N6 O -","- C24 H13 B N6 O -","- C192 H104 B8 N48 O8 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.044","0.0387","","","0.0961","0.1003","","","","","","1.061","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211188","23.4583","0.0004","11.7386","0.0002","19.4923","0.0005","90","","120.188","0.001","90","","4639.6","0.17","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","o-HOPhO-BsubPc","(2-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30 H17 B N6 O2 -","- C30 H17 B N6 O2 -","- C240 H136 B8 N48 O16 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0552","0.0387","","","0.089","0.0969","","","","","","1.022","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211189","19.6105","0.0009","18.635","0.0007","16.3206","0.0005","90","","93.94","0.002","90","","5950.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Cd2 N6 O12 -","- C64 H56 Cd2 N6 O12 -","- C256 H224 Cd8 N24 O48 -","4","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Li, Xingjun; Zhang, Linjie; Gai, Yanli; Hong, Maochun","Structural evolution via modifying (6,3) layer: from inclined polycatenation to parallel polyrotaxane-like interpenetration","CrystEngComm","2013","15","42","8426","","10.1039/c3ce41417e","","","0.71073","MoKα","","0.0518","0.0431","","","0.1093","0.1311","","","","","","1","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211190","8.6267","0.0008","11.9716","0.0016","12.8657","0.0013","105.11","0.005","91.309","0.005","99.975","0.005","1260.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Co N2 O6 S -","- C26 H20 Co N2 O6 S -","- C52 H40 Co2 N4 O12 S2 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Li, Xingjun; Zhang, Linjie; Gai, Yanli; Hong, Maochun","Structural evolution via modifying (6,3) layer: from inclined polycatenation to parallel polyrotaxane-like interpenetration","CrystEngComm","2013","15","42","8426","","10.1039/c3ce41417e","","","0.71073","MoKα","","0.0967","0.0732","","","0.1931","0.242","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211191","7.94506","0.0001","9.93697","0.00012","45.0334","0.0005","90","","90","","90","","3555.38","0.07","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu3 N9 S6 -","- C30 H24 Cu3 N9 S6 -","- C120 H96 Cu12 N36 S24 -","4","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","1.5418","CuKα","","0.0473","0.0387","","","0.0857","0.0904","","","","","","1.048","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211192","9.6275","0.0002","9.2206","0.0002","19.3389","0.0004","90","","91.532","0.002","90","","1716.13","0.06","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H30 Cu2 N8 S5 -","- C32 H30 Cu2 N8 S5 -","- C64 H60 Cu4 N16 S10 -","2","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.7107","MoKα","","0.0448","0.0344","","","0.0651","0.0691","","","","","","1.019","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211193","9.19","0.004","20.588","0.009","24.602","0.011","90","","90","","90","","4655","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H60 Cu8 N24 O0 S16 -","- C76 H60 Cu8 N24 S16 -","- C152 H120 Cu16 N48 S32 -","2","0.25","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.71073","MoKα","","0.1654","0.0593","","","0.0912","0.1229","","","","","","1.005","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211194","7.6604","0.0006","11.9068","0.0009","13.5985","0.001","98.88","0.001","96.962","0.002","106.219","0.001","1158.91","0.15","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H63 F4 I N2 O2 -","- C52 H63 F4 I N2 O2 -","- C52 H63 F4 I N2 O2 -","1","0.5","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0392","0.0344","","","0.0882","0.0908","","","","","","1.04","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211195","7.578","0.0006","13.9976","0.0011","20.0546","0.0016","110.067","0.002","90.141","0.002","103.225","0.002","1937.5","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H47 F4 I N2 O2 -","- C44 H47 F4 I N2 O2 -","- C88 H94 F8 I2 N4 O4 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0614","0.0407","","","0.089","0.1002","","","","","","1.023","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211196","4.7732","0.0006","9.5951","0.0013","23.78","0.003","88.044","0.002","89.076","0.002","76.708","0.002","1059.3","0.2","110","2","110","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F4 I N O -","- C23 H20 F4 I N O -","- C46 H40 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0469","0.0377","","","0.0844","0.0922","","","","","","1.119","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211197","6.1484","0.0004","12.8888","0.0009","14.8433","0.001","97.495","0.001","96.075","0.001","90.147","0.001","1159.51","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 F4 I N O -","- C25 H24 F4 I N O -","- C50 H48 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0356","0.0316","","","0.0715","0.0735","","","","","","1.104","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211198","8.8395","0.0005","12.9338","0.0007","20.8991","0.0011","90","","101.784","0.001","90","","2339","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F4 I N O -","- C25 H24 F4 I N O -","- C100 H96 F16 I4 N4 O4 -","4","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0236","0.0211","","","0.0542","0.0556","","","","","","1.048","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211199","5.4342","0.0002","11.9349","0.0004","19.0791","0.0005","94.229","0.002","94.338","0.003","95.863","0.003","1223.26","0.07","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F4 I N O -","- C27 H28 F4 I N O -","- C54 H56 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0388","0.0326","","","0.0729","0.077","","","","","","1.067","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211200","5.4791","0.00012","13.3643","0.0002","18.9794","0.0003","107.316","0.0015","94.6772","0.0017","92.7169","0.0016","1318.59","0.04","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 F4 I N O -","- C29 H32 F4 I N O -","- C58 H64 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0297","0.0254","","","0.0559","0.0577","","","","","","1.068","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211201","7.6705","0.0002","11.9764","0.0005","13.1845","0.0005","67.842","0.004","87.532","0.003","72.143","0.003","1064.08","0.08","109.95","0.1","109.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 F4 I N2 O2 -","- C48 H55 F4 I N2 O2 -","- C48 H55 F4 I N2 O2 -","1","0.5","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0496","0.0389","","","0.0803","0.0859","","","","","","1.033","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211202","7.5755","0.0004","7.3774","0.0004","12.0168","0.0006","90","","102.173","0.003","90","","656.49","0.06","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","","","0.71073","MoKα","","0.0353","0.0309","","0.0788","0.0743","0.0726","","","","","","1.0035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211203","7.6349","0.0005","7.4263","0.0006","12.1724","0.0008","90","","102.788","0.004","90","","673.04","0.08","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","","","0.71073","MoKα","","0.0623","0.0562","","0.1507","0.1391","0.1374","","","","","","1.0975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211204","7.58233","0.00011","7.37528","0.00009","12.04151","0.00016","90","","102.263","0.0006","90","","658.019","0.015","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","powder diffraction","neutron","","neutron","","","","","","","","0.17965","","3.53","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211205","9.45","0.0019","19.88","0.004","13.513","0.004","90","","127.38","0.019","90","","2017.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl N3 O5 Zn -","- C22 H15 Cl N3 O5 Zn -","- C88 H60 Cl4 N12 O20 Zn4 -","4","1","","Fan, Mengchan; Yao, Zhenguo; Li, Chen; Xia, Yu; Zhang, Qi; Dai, Jingcao; Fu, Zhiyong","A stimuli-responsive zinc-based chain framework constructed via metal‒ligand directed assembly","CrystEngComm","2013","15","42","8408","","10.1039/c3ce41497c","","","0.71073","MoKα","","0.0343","0.0328","","","0.0914","0.0926","","","","","","1.039","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211206","7.6033","0.0002","11.4827","0.0003","11.8705","0.0004","83.186","0.001","71.662","0.002","80.423","0.002","967.59","0.05","100","2","100","2","","","","","","","Isabelle Kirby","5","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C34 H44 Cl2 N10 O10 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.071","0.038","","","","0.029","","","","","","1.396","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211207","7.797","0.002","11.214","0.003","12.211","0.003","91.753","0.005","104.56","0.007","95.232","0.013","1027.5","0.5","100","2","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.08","0.053","","","","0.061","","","","","","1.645","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211208","35.929","0.006","7.0153","0.0011","12.624","0.002","90","","90","","90","","3181.9","0.9","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride","","- C30 H32 F N9 O10 -","- C30 H32 F N9 O10 -","- C120 H128 F4 N36 O40 -","4","0.5","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.6889","","","0.05","0.035","","","","0.047","","","","","","2.569","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211209","6.8211","0.0005","14.4139","0.0011","19.7918","0.0016","90","","90","","90","","1945.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.4859","","","0.071","0.038","","","","0.038","","","","","","1.173","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211210","12.5269","0.0003","6.6896","0.0002","25.244","0.0009","90","","93.856","0.002","90","","2110.66","0.11","120","2","120","2","","","","","","","Isabelle Kirby","4","P 1 21/n 1","-P 2yn","14","1,3(3-nitro)phenylurea with tma oac","","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C76 H100 N20 O28 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.1257","0.0605","","","0.1355","0.1634","","","","","","1.047","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211211","9.602","0.003","10.807","0.003","12.433","0.004","109.859","0.005","96.598","0.003","103.537","0.0005","1152.7","0.6","100","","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(3,5-dinitrophenyl)urea with tetramethylacetate","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.6889","","","0.0471","0.0432","","","0.1179","0.1275","","","","","","1.076","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211212","21.8064","0.0019","4.6133","0.0003","12.5773","0.0011","90","","90","","90","","1265.27","0.18","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,3-bis(2-nitrophenyl)urea","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.0621","0.0541","","","0.1238","0.1303","","","","","","1.098","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211213","7.771","0.003","11.172","0.004","12.177","0.005","91.74","0.03","104.56","0.03","95.27","0.03","1017.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","neutron","","neutron","","0.0978","0.0868","","","0.184","0.1944","","","","","","1.066","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211214","6.812","0.003","14.403","0.005","19.79","0.007","90","","90","","90","","1941.7","1.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","neutron","","neutron","","0.0695","0.0695","","","0.1783","0.1783","","","","","","1.049","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211215","24.152","0.005","8.23","0.0016","23.368","0.005","90","","115.92","0.03","90","","4177.6","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C192 H160 N48 O16 -","8","1","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1688","0.0698","","","0.1801","0.228","","","","","","0.958","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211216","7.6423","0.0004","29.0929","0.0017","11.6687","0.0004","90","","92.778","0.003","90","","2591.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N7 O2 -","- C28 H27 N7 O2 -","- C112 H108 N28 O8 -","4","1","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1971","0.068","","","0.1357","0.1798","","","","","","0.929","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211217","20.064","0.003","20.064","0.003","13.088","0.003","90","","90","","90","","5268.8","1.6","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C100 H80 B4 F16 Fe4 N26 O9 -","- C100 H72 B4 F16 Fe4 N26 O9 -","- C200 H144 B8 F32 Fe8 N52 O18 -","2","0.25","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1164","0.089","","","0.2141","0.2278","","","","","","1.082","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211218","29.541","0.006","18.148","0.004","27.02","0.005","90","","90","","90","","14486","5","173","2","173","2","","","","","","","","7","P b a m","-P 2 2ab","55","","","","- C118 H103 F24 N31 O33 S8 Zn4 -","- C118 H80 F24 N31 O33 S8 Zn4 -","- C472 H320 F96 N124 O132 S32 Zn16 -","4","0.5","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1333","0.0771","","","0.2242","0.2606","","","","","","1.052","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211219","16.724","0.002","23.732","0.003","14.189","0.003","90","","90","","90","","5631.5","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H26 Cd N4 O10 -","- C26 H26 Cd N4 O10 -","- C208 H208 Cd8 N32 O80 -","8","2","","McCormick, Laura J.; Turner, David R.","Inclined 1D→2D polycatenation of chiral chains with large π-surfaces","CrystEngComm","2013","15","41","8234","","10.1039/c3ce41538d","","","0.71073","MoKα","","0.0337","0.0331","","","0.0876","0.0899","","","","","","1.096","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211220","10.184","0.001","24.895","0.003","10.777","0.002","90","","90","","90","","2732.3","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br F4 Li N4 O4 -","- C20 H28 Br F4 Li N4 O4 -","- C80 H112 Br4 F16 Li4 N16 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.1071","0.0486","","","0.1171","0.144","","","","","","1.013","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211221","6.197","0.004","8.635","0.002","28.79","0.009","90","","90","","90","","1540.6","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Cl F2 Li N2 O4 -","- C10 H6 Cl F2 Li N2 O4 -","- C40 H24 Cl4 F8 Li4 N8 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0395","0.0386","","","0.1069","0.1081","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211222","10.408","0.002","25.175","0.003","10.745","0.002","90","","90","","90","","2815.4","0.8","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C22 H40 Br Li N4 O4 -","- C19.84 H4 Br Li N4 O4 -","- C79.36 H16 Br4 Li4 N16 O16 -","4","0.5","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0696","0.0463","","","0.1184","0.1325","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211223","10.8762","0.0002","10.9064","0.0002","12.251","0.0002","75.952","0.001","76.275","0.001","78.378","0.001","1353.45","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au Eu N10 O6 -","- C23 H16 Au Eu N10 O6 -","- C46 H32 Au2 Eu2 N20 O12 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0383","0.0274","","0.0247","0.0194","0.0192","","","","","","1.1411","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211224","10.8442","0.0002","10.8853","0.0002","12.2574","0.0003","75.733","0.001","76.437","0.001","78.82","0.001","1348.86","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au N10 O6 Tb -","- C23 H16 Au N10 O6 Tb -","- C46 H32 Au2 N20 O12 Tb2 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0413","0.0293","","0.0278","0.0233","0.0228","","","","","","1.1422","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211225","10.847","0.002","10.8781","0.0019","12.255","0.002","75.675","0.01","76.336","0.009","78.43","0.01","1345.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au Gd N10 O6 -","- C23 H16 Au Gd N10 O6 -","- C46 H32 Au2 Gd2 N20 O12 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0254","0.0203","","0.0164","0.0152","0.0151","","","","","","1.1238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211226","15.3869","0.0003","17.6799","0.0003","18.9791","0.0004","90","","90","","90","","5163.05","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Eu N18 -","- C48 H32 Au3 Eu N18 -","- C192 H128 Au12 Eu4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0403","0.0303","","","0.0561","0.0599","","","","","","0.9","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211227","15.366","0.002","17.645","0.002","18.959","0.003","90","","90","","90","","5140.4","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Gd N18 -","- C48 H29 Au3 Gd N18 -","- C192 H116 Au12 Gd4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0361","0.0278","","","0.051","0.0531","","","","","","0.973","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211228","14.0972","0.0011","8.2977","0.0008","15.9525","0.0014","90","","104.203","0.007","90","","1809","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N5 O3 Pb -","- C14 H14 Cl N5 O3 Pb -","- C56 H56 Cl4 N20 O12 Pb4 -","4","1","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of 1D to intermediate 2D and then to 3D porous coordination polymer by anion replacement; new precursors for preparation of PbCl2, Pb3O2Cl2 and PbO nanoparticles","CrystEngComm","2013","15","44","8894","","10.1039/c3ce41566j","","","0.71073","MoKα","","0.107","0.0777","","","0.1703","0.1821","","","","","","1.111","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211229","12.805","0.001","4.0989","0.0003","16.246","0.001","90","","96.729","0.001","90","","846.82","0.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 Cl2 N4 Pb -","- C14 H14 Cl2 N4 Pb -","- C28 H28 Cl4 N8 Pb2 -","2","0.5","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of 1D to intermediate 2D and then to 3D porous coordination polymer by anion replacement; new precursors for preparation of PbCl2, Pb3O2Cl2 and PbO nanoparticles","CrystEngComm","2013","15","44","8894","","10.1039/c3ce41566j","","","0.71073","MoKα","","0.0157","0.0155","","","0.0388","0.0389","","","","","","1.06","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211230","11.4008","0.0014","9.6644","0.0011","16.7665","0.0019","90","","96.393","0.003","90","","1835.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl Cu O2 S2 -","- C18 H20 Cl Cu O2 S2 -","- C72 H80 Cl4 Cu4 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0922","0.0429","","","0.1011","0.1365","","","","","","1.016","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211231","19.6238","0.0008","9.2933","0.0004","22.3113","0.0009","90","","114.138","0.002","90","","3713.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br2 Cu2 O4 S4 -","- C36 H40 Br2 Cu2 O4 S4 -","- C144 H160 Br8 Cu8 O16 S16 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0949","0.0441","","","0.0986","0.1281","","","","","","0.855","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211232","11.814","0.012","14.973","0.015","11.418","0.012","90","","105.401","0.019","90","","1947","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cu N O2 S3 -","- C19 H20 Cu N O2 S3 -","- C76 H80 Cu4 N4 O8 S12 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.1484","0.0898","","","0.1817","0.1996","","","","","","1.043","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211233","12.9194","0.0005","19.501","0.0006","8.3487","0.0003","90","","93.55","0.002","90","","2099.35","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Hg O2 S2 -","- C18 H20 Br2 Hg O2 S2 -","- C72 H80 Br8 Hg4 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.054","0.0364","","","0.0724","0.0785","","","","","","1.017","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211234","12.9144","0.0003","8.0371","0.0002","25.7905","0.0006","90","","100.243","0.001","90","","2634.24","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Hg2 I4 O2 S2 -","- C18 H20 Hg2 I4 O2 S2 -","- C72 H80 Hg8 I16 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.095","0.0788","","","0.1988","0.2137","","","","","","1.039","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211235","8.8401","0.0002","9.9305","0.0002","12.666","0.0003","80.608","0.001","73.482","0.001","80.915","0.001","1044.39","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 N2 O8 Pd S2 -","- C18 H20 N2 O8 Pd S2 -","- C36 H40 N4 O16 Pd2 S4 -","2","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0267","0.0241","","","0.0581","0.0601","","","","","","1.015","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211236","12.1618","0.0003","12.8043","0.0003","19.3631","0.0004","71.46","0.001","74.748","0.001","88.068","0.002","2753.99","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 N2 O10 Pd S4 -","- C36 H40 N2 O10 Pd S4 -","- C108 H120 N6 O30 Pd3 S12 -","3","1.5","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.074","0.0458","","","0.0887","0.0995","","","","","","1.033","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211237","23.695","0.001","26.6618","0.001","7.2913","0.0005","90","","95.95","0.01","90","","4581.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Bi Cl4 N4 O2 -","- C20 H17 Bi Cl4 N4 O2 -","- C160 H136 Bi8 Cl32 N32 O16 -","8","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.0999","0.0343","","","0.0441","0.0554","","","","","","1.018","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211238","18.8244","0.0008","9.7773","0.0002","16.519","0.0007","90","","94.968","0.005","90","","3028.93","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Bi Cl4 N2 O -","- C10 H9 Bi Cl4 N2 O -","- C80 H72 Bi8 Cl32 N16 O8 -","8","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.1204","0.0446","","","0.0513","0.0626","","","","","","1.034","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211239","10.1031","0.0006","12.8928","0.0005","12.5741","0.001","90","","104.077","0.006","90","","1588.68","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Bi2 Br8 N4 O2 -","- C20 H18 Bi2 Br8 N4 O2 -","- C40 H36 Bi4 Br16 N8 O4 -","2","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.0764","0.0375","","","0.0509","0.0583","","","","","","1.038","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211240","8.4049","0.0008","21.2014","0.0018","9.3965","0.0006","90","","107.241","0.005","90","","1599.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H9 Bi Br4 N2 O -","- C10 H9 Bi Br4 N2 O -","- C40 H36 Bi4 Br16 N8 O4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","","0.71073","MoKα","","0.1326","0.0517","","","0.0973","0.1205","","","","","","1.008","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211241","19.2567","0.0008","13.3429","0.0005","12.3084","0.0007","90","","107.434","0.003","90","","3017.2","0.2","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 Bi Cl6 N4 O3 S -","- C22 H25 Bi Cl6 N4 O3 S -","- C88 H100 Bi4 Cl24 N16 O12 S4 -","4","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.1143","0.0355","","","0.05","0.0607","","","","","","0.966","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211242","10.1639","0.0004","16.0423","0.0006","16.2284","0.0006","90","","102.593","0.001","90","","2582.42","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N2 O6 Zn -","- C30 H20 N2 O6 Zn -","- C120 H80 N8 O24 Zn4 -","4","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.043","0.0298","","","0.077","0.0828","","","","","","1.03","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211243","8.7642","0.0006","31.696","0.002","10.7597","0.0007","90","","110.882","0.001","90","","2792.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H28 N4 Ni O7 -","- C30 H26 N4 Ni O7 -","- C120 H104 N16 Ni4 O28 -","4","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.0605","0.0505","","","0.1347","0.1442","","","","","","1.063","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211244","18.281","0.002","36.104","0.004","17.145","0.002","90","","90","","90","","11316","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C33 H26 N2 Ni O6 -","- C33 H26 N2 Ni O6 -","- C528 H416 N32 Ni16 O96 -","16","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.1008","0.0489","","","0.0911","0.1078","","","","","","1.002","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211245","10.9446","0.0009","15.2526","0.0012","16.0944","0.0013","102.793","0.001","105.421","0.001","99.034","0.001","2458.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Cd2 N4 O14 -","- C54 H38 Cd2 N4 O14 -","- C108 H76 Cd4 N8 O28 -","2","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.074","0.0283","","","0.0739","0.0895","","","","","","0.859","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211246","11.0578","0.0005","11.4735","0.0005","28.3323","0.0012","94.696","0.001","90.345","0.001","95.797","0.001","3563.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H54 Mn3 N4 O19 -","- C84 H52 Mn3 N4 O19 -","- C168 H104 Mn6 N8 O38 -","2","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.0629","0.0398","","","0.0991","0.1098","","","","","","1.047","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211247","9.3588","0.0013","12.8986","0.0018","13.0717","0.0019","90","","97.534","0.002","90","","1564.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O7 U -","- C13 H18 N2 O7 U -","- C52 H72 N8 O28 U4 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0154","0.0137","","","0.0315","0.032","","","","","","1.084","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211248","28.995","0.003","32.585","0.004","9.3986","0.0011","90","","90","","90","","8879.8","1.8","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H4 N2 O18 U2 -","- C14 H4 N2 O18 U2 -","- C224 H64 N32 O288 U32 -","16","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0497","0.0432","","","0.1018","0.1045","","","","","","1.128","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211249","10.327","0.003","12.129","0.003","15.073","0.004","90","","106.288","0.008","90","","1812.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H2 N O13 U2 -","- C7 H2 N O13 U2 -","- C28 H8 N4 O52 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0524","0.0381","","","0.0977","0.1045","","","","","","0.963","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211250","10.0704","0.001","8.3162","0.0008","13.624","0.0013","90","","106.031","0.001","90","","1096.61","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H4 N2 O18 U3 -","- C14 H4 N2 O18 U3 -","- C28 H8 N4 O36 U6 -","2","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0458","0.0306","","","0.0572","0.0622","","","","","","0.998","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211251","12.362","0.002","9.9067","0.0016","22.294","0.004","90","","98.383","0.002","90","","2701.1","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H8 N5 O48 Sm7 U2 -","- C28 H8 N5 O48 Sm7 U2 -","- C56 H16 N10 O96 Sm14 U4 -","2","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0566","0.0473","","","0.1012","0.1052","","","","","","1.045","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211252","8.8835","0.0008","9.2545","0.0008","28.075","0.003","90","","90","","90","","2308.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H4 Cl2 N2 O15 U2 -","- C14 H4 Cl2 N2 O15 U2 -","- C56 H16 Cl8 N8 O60 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0277","0.0253","","","0.0551","0.0559","","","","","","1.071","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211253","9.3706","0.0005","9.2284","0.0005","24.2878","0.0012","90","","92.128","0.001","90","","2098.85","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Cl2 N2 O14 U2 -","- C14 H6 Cl2 N2 O14 U2 -","- C56 H24 Cl8 N8 O56 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0212","0.0196","","","0.0441","0.0445","","","","","","1.186","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211254","28.157","0.006","10.174","0.002","13.23","0.003","90","","91.302","0.003","90","","3789","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H8 Cl4 N4 Na2 O24 U3 -","- C28 H8 Cl4 N4 Na2 O24 U3 -","- C112 H32 Cl16 N16 Na8 O96 U12 -","4","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0678","0.0759","","","","","","0.831","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211255","33.4782","0.0019","9.1734","0.0005","17.5749","0.001","90","","90","","90","","5397.4","0.5","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C58 H74 N2 O14 -","- C58 H74 N2 O14 -","- C232 H296 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.058","0.0457","","","0.1154","0.1241","","","","","","1.052","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211256","34.399","0.004","9.4442","0.0011","17.646","0.002","90","","95.37","0.001","90","","5707.5","1.1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H82 N2 O14 -","- C62 H82 N2 O14 -","- C248 H328 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.0777","0.0459","","","0.1021","0.1172","","","","","","1.02","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211257","36.8591","0.0018","9.2839","0.0005","18.0544","0.0009","90","","90.634","0.001","90","","6177.8","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H90 N2 O14 -","- C66 H90 N2 O14 -","- C264 H360 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.0743","0.0502","","","0.1152","0.1283","","","","","","1.034","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211258","36.162","0.012","9.347","0.003","17.877","0.006","90","","112.125","0.004","90","","5598","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H78 N2 O14 -","- C62 H78 N2 O14 -","- C248 H312 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.059","0.0438","","","0.1086","0.1173","","","","","","1.055","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211259","8.8079","0.0004","12.2447","0.0004","12.525","0.0006","90","","90","","90","","1350.82","0.1","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Ag Cl N O4 -","- C12 H15 Ag Cl N O4 -","- C48 H60 Ag4 Cl4 N4 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.019","0.0181","","","0.0448","0.0451","","","","","","1.054","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211260","12.6852","0.0004","8.1924","0.0003","12.8192","0.0005","90","","99.738","0.002","90","","1313","0.08","114","2","114","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Ag Cl N2 O4 -","- C11 H14 Ag Cl N2 O4 -","- C44 H56 Ag4 Cl4 N8 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0236","0.0216","","","0.0565","0.058","","","","","","1.105","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211261","15.3229","0.0009","21.2905","0.0011","8.0381","0.0004","90","","90","","90","","2622.3","0.2","114","2","114","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Ag2 Cl2 N6 O8 -","- C20 H26 Ag2 Cl2 N6 O8 -","- C80 H104 Ag8 Cl8 N24 O32 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0832","0.0478","","","0.108","0.1199","","","","","","0.935","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211262","11.6969","0.0003","12.974","0.0003","20.015","0.0005","90","","90","","90","","3037.39","0.13","114","2","114","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Ag2 F6 N6 O7 S2 -","- C22 H28 Ag2 F6 N6 O7 S2 -","- C88 H112 Ag8 F24 N24 O28 S8 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0237","0.021","","","0.0423","0.0431","","","","","","0.995","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211263","7.8652","0.0003","14.0587","0.0005","14.8864","0.0006","113.746","0.002","92.329","0.002","90.687","0.002","1504.73","0.1","117","2","117.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Ag2 F6 N4 O6 S4 -","- C20 H24 Ag2 F6 N4 O6 S4 -","- C40 H48 Ag4 F12 N8 O12 S8 -","2","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0578","0.0451","","","0.1241","0.1297","","","","","","1.25","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211264","12.1378","0.0004","10.7654","0.0003","13.2121","0.0004","90","","111.584","0.002","90","","1605.35","0.09","116","2","116","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Ag Cl N2 O4 -","- C15 H16 Ag Cl N2 O4 -","- C60 H64 Ag4 Cl4 N8 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0494","0.0362","","","0.1012","0.1068","","","","","","0.981","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211265","10.9576","0.0004","12.0044","0.0004","12.122","0.0004","65.317","0.002","70.029","0.002","76.155","0.002","1352.96","0.08","114","2","114","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Ag2 Cl3 N5 O10 -","- C18 H28 Ag2 Cl3 N5 O10 -","- C36 H56 Ag4 Cl6 N10 O20 -","2","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0408","0.0313","","","0.0786","0.0818","","","","","","1.054","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211266","41.519","0.006","41.519","0.006","9.1478","0.0018","90","","90","","120","","13657","4","114","2","114","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C306 H360 Ag36 Cl18 F108 N90 O108 S36 -","18","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0508","0.0453","","","0.1406","0.1463","","","","","","1.046","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211267","12.404","0.0004","22.1684","0.0008","23.4044","0.0008","90","","97.655","0.002","90","","6378.3","0.4","112","2","112","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Ag2 F6 N5 O6 S2 -","- C24 H31 Ag2 F6 N5 O6 S2 -","- C192 H248 Ag16 F48 N40 O48 S16 -","8","2","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0656","0.0474","","","0.1183","0.1307","","","","","","1.022","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211268","10.4069","0.0002","13.8557","0.0004","37.5419","0.001","90","","90","","90","","5413.3","0.2","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 Ag4 Cl4 N12 O16 -","- C42 H60 Ag4 Cl4 N12 O16 -","- C168 H240 Ag16 Cl16 N48 O64 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0411","0.037","","","0.0897","0.0919","","","","","","1.132","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211269","15.867","0.0007","12.8111","0.0005","18.0525","0.0008","90","","93.503","0.002","90","","3662.7","0.3","114","2","114","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag3 F9 N6 O9 S3 -","- C24 H30 Ag3 F9 N6 O9 S3 -","- C96 H120 Ag12 F36 N24 O36 S12 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0518","0.032","","","0.0636","0.0681","","","","","","0.977","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211270","8.9539","0.0002","37.2276","0.0006","9.1021","0.0002","90","","90.1219","0.0016","90","","3034.02","0.11","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","1-butyl-3-methylimidazolium tetrakis(hexafluoroisopropoxy)borate","[C4MIM][B(hfip)4]","","- C20 H19 B F24 N2 O4 -","- C20 H19 B F24 N2 O4 -","- C80 H76 B4 F96 N8 O16 -","4","2","","Beichel, Witali; Yu, Yang; Dlubek, Günter; Krause-Rehberg, Reinhard; Pionteck, Jürgen; Pfefferkorn, Dirk; Bulut, Safak; Bejan, Dana; Friedrich, Christian; Krossing, Ingo","Free volume in ionic liquids: a connection of experimentally accessible observables from PALS and PVT experiments with the molecular structure from XRD data.","Physical chemistry chemical physics : PCCP","2013","15","22","8821","8830","10.1039/c3cp43306d","","x-ray","0.71073","MoKα","K-L~3~","0.0671","0.0468","","","0.1146","0.1294","","","","","","1.142","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7211271","16.0167","0.0007","16.0167","0.0007","17.0905","0.0015","90","","90","","90","","4384.3","0.5","120","2","120","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C22 H36 Br I12 N -","- C22 H36 Br I12 N -","- C88 H144 Br4 I48 N4 -","4","0.125","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0557","0.0513","","","0.1363","0.1406","","","","","","1.126","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211272","15.9134","0.0008","15.9134","0.0008","17.0463","0.0018","90","","90","","90","","4316.7","0.5","110","2","110","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C22 H36 Cl I12 N -","- C22 H36 Cl I12 N -","- C88 H144 Cl4 I48 N4 -","4","0.125","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0571","0.0517","","","0.1305","0.1342","","","","","","1.137","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211273","9.003","0.003","9.062","0.003","19.036","0.007","81.642","0.006","80.716","0.006","64.652","0.006","1380.1","0.8","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 I5 N -","- C18 H36 I5 N -","- C36 H72 I10 N2 -","2","1","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0911","0.0778","","","0.2239","0.2441","","","","","","1.018","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211274","14.979","0.003","4.3028","0.0008","12.748","0.002","90","","108.508","0.003","90","","779.1","0.2","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C2 I4 -","- C2 I4 -","- C8 I16 -","4","1","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0413","0.0397","","","0.0886","0.0893","","","","","","1.251","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211275","13.4297","0.0011","14.0614","0.0012","15.1348","0.0013","98.12","0.001","101.36","0.001","106.241","0.001","2631.1","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H36 Br I4 N -","- C18 H36 Br I4 N -","- C72 H144 Br4 I16 N4 -","4","2","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0435","0.0337","","","0.0699","0.0742","","","","","","1.029","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211276","16.8008","0.0005","17.0945","0.0005","28.2942","0.001","83.338","0.002","84.698","0.002","62.656","0.002","7162.4","0.4","113","2","113","2","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C148 H128 Au8 Cl8 N2 O6 P8 -","- C148 H128 Au8 Cl8 N2 O6 P8 -","- C296 H256 Au16 Cl16 N4 O12 P16 -","2","1","","Anderson, David P.; Alvino, Jason F.; Gentleman, Alexander; Qahtani, Hassan Al; Thomsen, Lars; Polson, Matthew I. J.; Metha, Gregory F.; Golovko, Vladimir B.; Andersson, Gunther G.","Chemically-synthesised, atomically-precise gold clusters deposited and activated on titania.","Physical chemistry chemical physics : PCCP","2013","15","11","3917","3929","10.1039/c3cp44005b","","","0.71073","MoKα","","0.1241","0.0634","","","0.1305","0.1446","","","","","","0.946","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211277","22.5484","0.0008","18.1152","0.0006","34.6185","0.0012","90","","95.997","0.002","90","","14063.2","0.8","113","2","113","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C289 H242 Au22 Cl8 P16 -","- C289 H242 Au22 Cl8 P16 -","- C578 H484 Au44 Cl16 P32 -","2","0.5","","Anderson, David P.; Alvino, Jason F.; Gentleman, Alexander; Qahtani, Hassan Al; Thomsen, Lars; Polson, Matthew I. J.; Metha, Gregory F.; Golovko, Vladimir B.; Andersson, Gunther G.","Chemically-synthesised, atomically-precise gold clusters deposited and activated on titania.","Physical chemistry chemical physics : PCCP","2013","15","11","3917","3929","10.1039/c3cp44005b","","","0.71073","MoKα","","0.1329","0.057","","","0.1319","0.1614","","","","","","1.024","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211278","19.838","0.008","8.085","0.003","17.795","0.007","90","","120.77","0.007","90","","2452.4","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N3 Ni S4 -","- C22 H30 N3 Ni S4 -","- C88 H120 N12 Ni4 S16 -","4","0.5","","Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system.","Physical chemistry chemical physics : PCCP","2013","15","11","4016","4023","10.1039/c3cp44054k","","","0.7107","MoKα","","0.0809","0.059","","","0.1269","0.1385","","","","","","1.08","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211279","7.696","0.002","9.276","0.003","14.063","0.005","83.413","0.014","83.083","0.014","70.712","0.011","937.7","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 Cl N2 Ni O5 S4 -","- C14 H12 Cl N2 Ni O5 S4 -","- C28 H24 Cl2 N4 Ni2 O10 S8 -","2","1","","Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system.","Physical chemistry chemical physics : PCCP","2013","15","11","4016","4023","10.1039/c3cp44054k","","","0.71075","MoKα","","0.081","0.0593","","","0.104","0.1125","","","","","","1.099","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211280","9.049","0.004","11.691","0.006","14.982","0.007","90","","96.088","0.009","90","","1576","1.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H33 N4 Ni O5 S5 -","- C27 H33 N4 Ni O5 S5 -","- C54 H66 N8 Ni2 O10 S10 -","2","1","","Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system.","Physical chemistry chemical physics : PCCP","2013","15","11","4016","4023","10.1039/c3cp44054k","","","0.71075","MoKα","","0.0933","0.0662","","","0.1017","0.1129","","","","","","1.068","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211281","12.897","0.001","17.499","0.002","17.785","0.002","85.433","0.008","69.071","0.009","70.433","0.009","3528.8","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 N4 Na2 O12 -","- C96 H72 N4 Na2 O12 -","- C192 H144 N8 Na4 O24 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.","Physical chemistry chemical physics : PCCP","2013","15","23","9136","9144","10.1039/c3cp44359k","","","0.7107","MoKα","","0.1299","0.0803","","","0.2091","0.2434","","","","","","1.08","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211282","26.826","0.003","16.3245","0.0014","24.427","0.002","90","","93.108","0.007","90","","10681.4","1.7","175","2","175","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C141 H77 Cl2 N5 Na2 O12 -","- C141 H77 Cl2 N5 Na2 O12 -","- C564 H308 Cl8 N20 Na8 O48 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.","Physical chemistry chemical physics : PCCP","2013","15","23","9136","9144","10.1039/c3cp44359k","","","0.7107","MoKα","","0.1424","0.0707","","","0.1981","0.2401","","","","","","0.984","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211283","11.9324","0.0004","23.1418","0.0008","17.7613","0.0006","90","","99.424","0.003","90","","4838.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H68 Cl4 N2 P4 -","- C143.988 H67.99 Cl4 N2 P4 -","- C287.976 H135.98 Cl8 N4 P8 -","2","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.","Physical chemistry chemical physics : PCCP","2013","15","23","9136","9144","10.1039/c3cp44359k","","","0.71073","MoKα","","0.0602","0.0489","","","0.1135","0.1192","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211284","29.656","0.003","13.5007","0.0009","14.8007","0.0015","90","","113.549","0.012","90","","5432.3","1","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H42 Cl4 N4 -","- C86 H42 Cl4 N4 -","- C344 H168 Cl16 N16 -","4","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.","Physical chemistry chemical physics : PCCP","2013","15","23","9136","9144","10.1039/c3cp44359k","","","0.71073","MoKα","","0.0763","0.0588","","","0.1564","0.1656","","","","","","1.053","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211285","12.8751","0.0008","15.0096","0.001","15.4142","0.001","113.342","0.006","107.797","0.006","99.46","0.005","2461.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H44 B Cl6 F2 N5 S -","- C51 H44 B Cl6 F2 N5 S -","- C102 H88 B2 Cl12 F4 N10 S2 -","2","1","","Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.","Tuning the Förster overlap integral: energy transfer over 20 Ångstroms from a pyrene-based donor to borondipyrromethene (Bodipy).","Physical chemistry chemical physics : PCCP","2013","15","24","9854","9861","10.1039/c3cp50173f","","","1.54178","CuKα","","0.1285","0.0931","","","0.2659","0.2952","","","","","","1.066","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211286","5.7787","0.0002","17.0131","0.0007","7.9775","0.0002","90","","90.043","0.002","90","","784.3","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C4 H9 O3 Re S -","- C4 H9 O3 Re S -","- C16 H36 O12 Re4 S4 -","4","2","","Saleh, Nidal; Zrig, Samia; Roisnel, Thierry; Guy, Laure; Bast, Radovan; Saue, Trond; Darquié, Benoît; Crassous, Jeanne","A chiral rhenium complex with predicted high parity violation effects: synthesis, stereochemical characterization by VCD spectroscopy and quantum chemical calculations.","Physical chemistry chemical physics : PCCP","2013","15","26","10952","10959","10.1039/c3cp50199j","","x-ray","0.71073","MoKα","","0.0504","0.0355","","","0.084","0.0944","","","","","","1.025","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211287","16.95","0.003","9.6195","0.0015","20.795","0.003","90","","93.618","0.005","90","","3383.9","0.9","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Bi N3 S6 -","- C39 H24 Bi N3 S6 -","- C156 H96 Bi4 N12 S24 -","4","1","","Liu, Gao-Yan; Xu, Ling-Yun; Zhou, Feng; Zhang, Yong; Li, Hua; Xu, Qing Feng; Lu, Jian Mei","Dynamic random access memory devices based on bismuth sulfide nanoplates prepared from a single source precursor.","Physical chemistry chemical physics : PCCP","2013","15","27","11554","11558","10.1039/c3cp50700a","","","","","","0.124","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211288","4.7127","0.0018","5.203","0.002","3.2439","0.0013","90","","90","","90","","79.54","0.05","293","","293","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- F1.159 H0.841 Mn O0.841 -","- F1.16 H0.84 Mn O0.84 -","- F2.32 H1.68 Mn2 O1.68 -","2","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori; Avdeev, Maxim; Liu, Samuel; Ling, Chris D.","Synthesis and characterization of the crystal structure and magnetic properties of the hydroxyfluoride MnF(2-x)(OH)x (x ~ 0.8).","Physical chemistry chemical physics : PCCP","2013","15","31","13061","13069","10.1039/c3cp50740h","","","0.71073","MoKα","","0.0385","0.0385","","","0.0812","0.0812","","","","1.15","1.15","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211289","9.692","0.002","19.705","0.005","21.494","0.005","90","","100.178","0.003","90","","4040.3","1.6","120","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","2","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","","0.6889","synchrotron","","0.0971","0.0559","","","0.1293","0.1471","","","","","","1.001","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211290","36.809","0.006","12.205","0.002","8.9185","0.0015","90","","95.551","0.002","90","","3987.9","1.1","120","","393","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","2","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","","0.6889","synchrotron","","0.0925","0.0834","","","0.2142","0.2205","","","","","","1.035","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211291","12.6166","0.0002","12.1515","0.0002","26.519","0.0004","90","","98.306","0.0004","90","","4023","0.11","99.98","","99.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 N4 -","- C50 H46 N4 -","- C200 H184 N16 -","4","1","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.038","0.0353","","","0.0882","0.0903","","","","","","1.031","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211292","8.8877","0.0001","23.4338","0.0004","10.4997","0.0002","90","","114.417","0.0003","90","","1991.21","0.06","100.01","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 N4 O2 -","- C50 H46 N4 O2 -","- C100 H92 N8 O4 -","2","0.5","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.0363","0.035","","","0.0897","0.0907","","","","","","1.03","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211293","18.7885","0.0005","10.0808","0.0003","21.5264","0.0005","90","","102.418","0.001","90","","3981.78","0.18","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N4 O2 -","- C50 H46 N4 O2 -","- C200 H184 N16 O8 -","4","0.5","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.0382","0.0367","","","0.0963","0.0976","","","","","","1.017","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211294","16.1305","0.001","15.4759","0.0006","16.6219","0.0006","90","","94.267","0.001","90","","4137.9","0.3","160","","160","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C50 H46 N4 O2 -","- C50 H46 N4 O2 -","- C200 H184 N16 O8 -","4","0.5","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.052","0.0498","","","0.1357","0.1379","","","","","","1.022","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211295","16.0313","0.0004","30.9627","0.0009","16.5171","0.0005","90","","93.792","0.001","90","","8180.7","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 N4 O2 -","- C50 H46 N4 O2 -","- C400 H368 N32 O16 -","8","2","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.0637","0.0577","","","0.1604","0.1659","","","","","","1.076","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211296","12.1735","0.0002","12.2821","0.0003","15.1686","0.0003","111.605","0.0004","101.149","0.0004","98.891","0.0005","2004.46","0.07","100","","373.15","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H46 N4 -","- C50 H46 N4 -","- C100 H92 N8 -","2","1","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.0381","0.0373","","","0.0937","0.0943","","","","","","1.036","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211297","7.4931","0.0015","10.855","0.002","15.27","0.003","86.57","0.03","88.5","0.03","79.38","0.03","1218.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H15 Cl3 N4 O2 S -","- C27 H15 Cl3 N4 O2 S -","- C54 H30 Cl6 N8 O4 S2 -","2","1","","Chen, Songhua; Qin, Zhihong; Liu, Taifeng; Wu, Xingzhi; Li, Yongjun; Liu, Huibiao; Song, Yinglin; Li, Yuliang","Aggregation-induced emission on benzothiadiazole dyads with large third-order optical nonlinearity.","Physical chemistry chemical physics : PCCP","2013","15","30","12660","12666","10.1039/c3cp51273h","","","0.71073","MoKα","","0.1374","0.0933","","","0.1526","0.1706","","","","","","1.135","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211298","13.8385","0.0008","13.8385","","7.8284","0.0008","90","","90","","120","","1298.32","0.15","298","","298","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- B2 H19.69 Mg N5.85 -","- B2 H19.6906 Mg N5.8453 -","- B12 H118.144 Mg6 N35.0718 -","6","0.5","","He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping","Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.","Physical chemistry chemical physics : PCCP","2013","15","25","10487","10493","10.1039/c3cp51473k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.07125","","1.65","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211299","7.693","0.0007","11.9132","0.0012","6.8954","0.0011","90","","90","","90","","631.95","0.13","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B H6 Li N -","- B H6 Li N -","- B8 H48 Li8 N8 -","8","2","","He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping","Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.","Physical chemistry chemical physics : PCCP","2013","15","25","10487","10493","10.1039/c3cp51473k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.10008","","1.71","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211300","7.8984","0.0007","7.0663","0.0006","7.4985","0.0006","90","","93.339","0.004","90","","417.8","0.06","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B3 H16 Li3 N2 -","- B3 H16 Li3 N2 -","- B6 H32 Li6 N4 -","2","1","","He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping","Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.","Physical chemistry chemical physics : PCCP","2013","15","25","10487","10493","10.1039/c3cp51473k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.11371","","1.15","","","","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211301","27.6303","0.001","4.10757","0.00017","19.1097","0.0006","90","","110.163","0.003","90","","2035.91","0.13","120","2","123","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H18 N4 O3 -","- C24 H18 N4 O3 -","- C96 H72 N16 O12 -","4","1","","Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M","The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.","Physical chemistry chemical physics : PCCP","2013","15","31","13013","13023","10.1039/c3cp51957k","","","1.54184","CuKα","","0.0441","0.0434","","","0.1129","0.1143","","","","","","1.081","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211302","4.3137","0.0002","9.9807","0.0004","25.5817","0.0008","90","","94.618","0.003","90","","1097.81","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","0.5","","Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M","The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.","Physical chemistry chemical physics : PCCP","2013","15","31","13013","13023","10.1039/c3cp51957k","","","0.71073","MoKα","","0.04","0.0366","","","0.0916","0.0942","","","","","","1.039","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211303","27.4458","0.0009","4.3843","0.0001","19.1157","0.0007","90","","110.267","0.003","90","","2157.8","0.12","273","2","273","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C25 H20 N4 O2 -","- C25 H20 N4 O2 -","- C100 H80 N16 O8 -","4","1","","Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M","The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.","Physical chemistry chemical physics : PCCP","2013","15","31","13013","13023","10.1039/c3cp51957k","","","1.54178","","","0.0732","0.0542","","","0.1331","0.1472","","","","","","1.015","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211304","4.1838","0.0003","9.5677","0.0006","12.2486","0.0008","96.676","0.005","91.076","0.005","93.139","0.006","486.09","0.06","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N2 O -","- C12 H9 N2 O -","- C24 H18 N4 O2 -","2","1","","Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M","The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.","Physical chemistry chemical physics : PCCP","2013","15","31","13013","13023","10.1039/c3cp51957k","","","0.71073","MoKα","","0.0678","0.0464","","","0.1126","0.1303","","","","","","1.057","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211305","9.9974","0.0006","13.0768","0.0009","18.1443","0.0012","98.349","0.003","94.887","0.003","111.453","0.003","2159.6","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H51 Ca N5 O19 S3 -","- C35 H51 Ca N5 O19 S3 -","- C70 H102 Ca2 N10 O38 S6 -","2","1","","Spies, Christian; Finkler, Björn; Acar, Nursel; Jung, Gregor","Solvatochromism of pyranine-derived photoacids.","Physical chemistry chemical physics : PCCP","2013","15","45","19893","19905","10.1039/c3cp53082e","","","0.71073","MoKα","","0.0896","0.0582","","","0.1437","0.1609","","","","","","1.088","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211306","6.2877","0.0002","7.7823","0.0004","12.5635","0.0005","88.036","0.004","89.839","0.003","76.687","0.004","597.89","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(N-methylimidazole)silver nitrate","","- C8 H12 Ag N5 O3 -","- C8 H12 Ag N5 O3 -","- C16 H24 Ag2 N10 O6 -","2","1","","Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Room-temperature silver-containing liquid metal salts with nitrate anions.","Physical chemistry chemical physics : PCCP","2013","15","43","18934","18943","10.1039/c3cp53263a","","","0.71073","MoKα","","0.0289","0.0247","","","0.0638","0.0662","","","","","","1.044","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211307","16.434","0.0013","7.8736","0.0007","13.8845","0.0013","90","","106.748","0.009","90","","1720.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(N-butylimidazole)silver nitrate","bis(N-butylimidazole)silver nitrate","","- C14 H24 Ag N5 O3 -","- C14 H24 Ag N5 O3 -","- C56 H96 Ag4 N20 O12 -","4","1","","Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Room-temperature silver-containing liquid metal salts with nitrate anions.","Physical chemistry chemical physics : PCCP","2013","15","43","18934","18943","10.1039/c3cp53263a","","","0.71073","MoKα","","0.0255","0.0218","","","0.0489","0.0511","","","","","","1.049","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211308","4.5579","0.0004","8.222","0.0005","23.099","0.002","89.274","0.007","87.415","0.007","78.188","0.006","846.44","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(N-dodecylimidazole)silver nitrate dihydrate","bis(N-dodecylimidazole)silver nitrate dihydrate","","- C30 H60 Ag N5 O5 -","- C30 H56 Ag N5 O5 -","- C30 H56 Ag N5 O5 -","1","0.5","","Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Room-temperature silver-containing liquid metal salts with nitrate anions.","Physical chemistry chemical physics : PCCP","2013","15","43","18934","18943","10.1039/c3cp53263a","","","0.71073","MoKα","","0.0715","0.0526","","","0.084","0.0937","","","","","","1.021","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211309","29.305","0.001","35.039","0.002","7.0828","0.0002","90","","90","","90","","7272.7","0.5","180","2","180","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H19 Cl2 N3 O -","- C20 H19 Cl2 N3 O -","- C320 H304 Cl32 N48 O16 -","16","1","","Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona","Tuning solid-state blue and red luminescence by the formation of solvate crystals.","Physical chemistry chemical physics : PCCP","2013","15","45","19845","19852","10.1039/c3cp53929f","","","0.71073","MoKα","","0.1318","0.1159","","","0.3237","0.3462","","","","","","1.568","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211310","5.6826","0.0003","10.3721","0.0006","12.1384","0.0009","70.264","0.002","89.299","0.002","82.447","0.003","667.18","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl6 N2 O2 -","- C26 H18 Cl6 N2 O2 -","- C26 H18 Cl6 N2 O2 -","1","0.5","","Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona","Tuning solid-state blue and red luminescence by the formation of solvate crystals.","Physical chemistry chemical physics : PCCP","2013","15","45","19845","19852","10.1039/c3cp53929f","","","0.71073","MoKα","","0.0556","0.0433","","","0.1177","0.123","","","","","","1.059","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211311","8.1356","0.0009","10.6065","0.0013","12.462","0.0015","91.571","0.006","105.781","0.006","100.384","0.006","1014.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N4 O5 -","- C21 H21 N4 O5 -","- C42 H42 N8 O10 -","2","1","","Prasanna, Pitchaimani; Perumal, Subbu; Menéndez, J. Carlos","Chemodivergent, multicomponent domino reactions in aqueous media: l-proline-catalyzed assembly of densely functionalized 4H-pyrano[2,3-c]pyrazoles and bispyrazolyl propanoates from simple, acyclic starting materials","Green Chemistry","2013","15","5","1292","","10.1039/c3gc37128j","","","0.71073","MoKα","","0.051","0.0447","","","0.1293","0.1366","","","","","","1.014","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211312","12.2016","0.0005","13.6995","0.0005","15.4526","0.0005","90","","110.166","0.002","90","","2424.65","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N4 O4 -","- C24 H23 N4 O4 -","- C96 H92 N16 O16 -","4","1","","Prasanna, Pitchaimani; Perumal, Subbu; Menéndez, J. Carlos","Chemodivergent, multicomponent domino reactions in aqueous media: l-proline-catalyzed assembly of densely functionalized 4H-pyrano[2,3-c]pyrazoles and bispyrazolyl propanoates from simple, acyclic starting materials","Green Chemistry","2013","15","5","1292","","10.1039/c3gc37128j","","","0.71073","MoKα","","0.0799","0.0604","","","0.2001","0.2121","","","","","","1.103","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211313","9.7594","0.0004","18.5524","0.0006","18.8335","0.0005","90","","90","","90","","3410","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Cl6 O8 -","- C30 H36 Cl6 O8 -","- C120 H144 Cl24 O32 -","4","1","","Haldar, Saikat; Kolet, Swati P.; Thulasiram, Hirekodathakallu V.","Biocatalysis: fungi mediated novel and selective 12β- or 17β-hydroxylation on the basic limonoid skeleton","Green Chemistry","2013","15","5","1311","","10.1039/c3gc40193f","","","0.71073","MoKα","","0.064","0.0553","","","0.1667","0.1767","","","","","","1.262","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211314","18.8143","0.0002","18.2714","0.0002","14.9031","0.0002","90","","117.805","0.0004","90","","4531.61","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H33 Cl Ni O3 P2 -","- C19 H33 Cl Ni O3 P2 -","- C152 H264 Cl8 Ni8 O24 P16 -","8","1","","Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit","Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel","Green Chemistry","2013","15","11","3188","","10.1039/c3gc40968f","","","1.54178","CuKα","","0.0265","0.0253","","","0.0951","0.0984","","","","","","0.918","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211315","15.908","0.0012","13.0746","0.001","11.134","0.0008","90","","91.464","0.003","90","","2315","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 Cl Ni O4 P2 -","- C20 H33 Cl Ni O4 P2 -","- C80 H132 Cl4 Ni4 O16 P8 -","4","1","","Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit","Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel","Green Chemistry","2013","15","11","3188","","10.1039/c3gc40968f","","","1.54178","CuKα","","0.0305","0.0304","","","0.0844","0.0845","","","","","","1.004","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211316","10.4275","0.0004","14.033","0.0005","20.573","0.0007","90","","101.18","0.001","90","","2953.3","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 Cl Ni O2 P2 -","- C26 H47 Cl Ni O2 P2 -","- C104 H188 Cl4 Ni4 O8 P8 -","4","1","","Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit","Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel","Green Chemistry","2013","15","11","3188","","10.1039/c3gc40968f","","","1.54178","CuKα","","0.0464","0.0448","","","0.1176","0.1192","","","","","","1.074","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211317","10.293","0.001","11.524","0.002","15.213","0.002","78.18","0.01","84.68","0.01","76.56","0.01","1715.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 O10 -","- C38 H38 O10 -","- C76 H76 O20 -","2","1","","Forsythe, W. Graham; Garrett, Mark D.; Hardacre, Christopher; Nieuwenhuyzen, Mark; Sheldrake, Gary N.","An efficient and flexible synthesis of model lignin oligomers","Green Chemistry","2013","15","11","3031","","10.1039/c3gc41110a","","","0.71073","MoKα","","0.118","0.0749","","","0.2063","0.2511","","","","","","1.045","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211318","16.032","0.004","11.544","0.003","32.695","0.007","90","","90.772","0.004","90","","6050","3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N9 O3 -","- C33 H27 N9 O3 -","- C264 H216 N72 O24 -","8","2","","Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Yu, Yang; Wang, Peng; Li, Yan-An; Wang, Kui; Dong, Yu-Bin","A self-assembled Pd6L8 nanoball for Suzuki‒Miyaura coupling reactions in both homogeneous and heterogeneous formats","Green Chemistry","2013","15","11","3150","","10.1039/c3gc41154k","","","0.71073","MoKα","","0.1221","0.0663","","","0.1361","0.1631","","","","","","1.024","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211319","17.2201","0.0016","15.7615","0.0014","19.2134","0.0018","90","","90","","90","","5214.8","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Cl6 Fe N O4 -","- C25 H20 Cl6 Fe N O4 -","- C200 H160 Cl48 Fe8 N8 O32 -","8","1","","Taherimehr, Masoumeh; Al-Amsyar, Syed M.; Whiteoak, Christopher J.; Kleij, Arjan W.; Pescarmona, Paolo P.","High activity and switchable selectivity in the synthesis of cyclic and polymeric cyclohexene carbonates with iron amino triphenolate catalysts","Green Chemistry","2013","15","11","3083","","10.1039/c3gc41303a","","","0.71073","MoKα","","0.0588","0.0381","","","0.0823","0.0925","","","","","","1.04","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211320","7.7968","0.0002","21.1512","0.0005","9.1046","0.0003","90","","114.189","0.003","90","","1369.63","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0378","0.0329","","","0.09","0.0941","","","","","","1.044","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211321","12.8287","0.0003","7.9789","0.0003","24.2643","0.0009","90","","90","","90","","2483.67","0.14","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C120 H128 O32 -","8","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0525","0.0438","","","0.1128","0.1191","","","","","","1.032","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211322","15.7243","0.0011","5.0123","0.0003","18.5815","0.0012","90","","107.285","0.007","90","","1398.36","0.17","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0436","0.0362","","","0.0987","0.1048","","","","","","1.048","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211323","10.28","0.002","16.992","0.003","11.204","0.002","90","","97.87","0.03","90","","1938.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 O6 Pr -","- C26 H42 Mo N14 O6 Pr -","- C52 H84 Mo2 N28 O12 Pr2 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0554","0.0514","","","0.1275","0.1303","","","","","","1.074","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211324","10.257","0.002","16.936","0.003","11.176","0.002","90","","98.09","0.03","90","","1922.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 Nd O6 -","- C26 H42 Mo N14 Nd O6 -","- C52 H84 Mo2 N28 Nd2 O12 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0541","0.0481","","","0.102","0.1051","","","","","","1.006","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211325","16.68","0.003","11.19","0.002","21.33","0.004","90","","91.58","0.03","90","","3979.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Sm -","- C26 H42 Mo N14 O6 Sm -","- C104 H168 Mo4 N56 O24 Sm4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1047","0.0834","","","0.2163","0.241","","","","","","0.924","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211326","16.5","0.003","11.084","0.002","21.108","0.004","90","","90.85","0.03","90","","3859.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Eu Mo N14 O6 -","- C26 H42 Eu Mo N14 O6 -","- C104 H168 Eu4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0991","0.0764","","","0.1619","0.1743","","","","","","1.15","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211327","16.426","0.003","11.051","0.002","21.097","0.004","90","","91.17","0.03","90","","3828.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Gd Mo N14 O6 -","- C26 H42 Gd Mo N14 O6 -","- C104 H168 Gd4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0753","0.0581","","","0.1567","0.1713","","","","","","1.076","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211328","16.396","0.003","10.996","0.002","21.194","0.004","90","","90.86","0.03","90","","3820.6","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ho Mo N14 O6 -","- C26 H42 Ho Mo N14 O6 -","- C104 H168 Ho4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0734","0.0595","","","0.1395","0.1522","","","","","","1.171","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211329","16.369","0.005","10.983","0.003","21.234","0.004","90","","91.124","0.014","90","","3816.7","1.7","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Er Mo N14 O6 -","- C26 H42 Er Mo N14 O6 -","- C104 H168 Er4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1173","0.0933","","","0.2325","0.2534","","","","","","1.045","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211330","16.405","0.003","10.957","0.002","21.382","0.004","90","","91.21","0.03","90","","3842.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Tm -","- C26 H42 Mo N14 O6 Tm -","- C104 H168 Mo4 N56 O24 Tm4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0917","0.0712","","","0.1652","0.1824","","","","","","1.19","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211331","16.344","0.003","10.96","0.002","21.261","0.004","90","","91","0.03","90","","3807.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Yb -","- C26 H42 Mo N14 O6 Yb -","- C104 H168 Mo4 N56 O24 Yb4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1171","0.0752","","","0.1434","0.1627","","","","","","1.086","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211332","22.638","0.002","23.917","0.002","5.1656","0.0004","90","","90","","90","","2796.8","0.4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C96 H112 Cu8 N32 O32 -","8","0.5","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0335","0.0327","","","0.0806","0.0816","","","","","","1.051","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211333","10.9931","0.0005","10.9931","0.0005","18.085","0.0009","90","","90","","90","","2185.54","0.18","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0325","0.0316","","","0.0836","0.0849","","","","","","1.01","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211334","10.9857","0.0008","10.9857","0.0008","9.1031","0.0009","90","","90","","90","","1098.61","0.16","438","2","438","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.004 Cu2 N5.002 O5 -","- C32 H42.008 Cu4 N10.004 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0273","0.0263","","","0.0677","0.0685","","","","","","1.025","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211335","10.9932","0.0001","10.9932","0.0001","18.0928","0.0003","90","","90","","90","","2186.52","0.05","300","2","300","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0423","0.0421","","","0.1028","0.1031","","","","","","1.054","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211336","10.978","0.0003","10.978","0.0003","9.1059","0.0004","90","","90","","90","","1097.41","0.06","440","2","440","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.228 Cu2 N5 O5 -","- C32 H42.456 Cu4 N10 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0231","0.0229","","","0.0615","0.0617","","","","","","1.018","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211337","10.9902","0.0001","10.9902","0.0001","18.094","0.003","90","","90","","90","","2185.5","0.4","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0294","0.0292","","","0.0807","0.0807","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211338","10.9855","0.0003","10.9855","0.0003","9.1106","0.0004","90","","90","","90","","1099.48","0.06","440","2","440","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.24 Cu2 N5 O5 -","- C32 H42.48 Cu4 N10 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0216","0.0214","","","0.0601","0.0602","","","","","","1.02","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211339","8.7","0.0002","11.4517","0.0003","23.0491","0.0008","90","","90","","90","","2296.38","0.11","200","2","200","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","1","0.25","","Liu, Yen-Hsiang; Peng, Chia-Chien; Lee, Szu-Hsuan; Chien, Po-Hsiu; Wu, Pei-Chen","In situ resolved ligand chirality in preparing a chiral 3D zinc‒cyclopentane‒tetracarboxylate based coordination polymer","CrystEngComm","2013","15","47","10333","","10.1039/c3ce41143e","","x-ray","0.71073","MoKα","","0.1168","0.0596","","","0.1242","0.1482","","","","","","1.019","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211340","10.3022","0.0003","12.5187","0.0004","25.8195","0.0011","101.016","0.003","92.618","0.003","96.446","0.003","3240.2","0.2","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H93.2 Mo24 N24 O82.6 -","- C72 H92 Mo24 N24 O82.6 -","- C72 H92 Mo24 N24 O82.6 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0645","0.0378","","","0.0623","0.0708","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211341","9.651","0.0006","10.4093","0.0007","20.4141","0.0012","75.506","0.005","79.777","0.005","78.407","0.005","1927.5","0.2","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cu Mo16 N12 O56 -","- C36 H48 Cu Mo16 N12 O56 -","- C36 H48 Cu Mo16 N12 O56 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0448","0.0323","","","0.0669","0.073","","","","","","1.046","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211342","10.5513","0.0007","12.9013","0.0005","13.0406","0.0006","65.07","0.004","71.264","0.005","68.809","0.005","1470.67","0.15","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Cu Mo8 N12 O30 -","- C36 H46 Cu Mo8 N12 O30 -","- C36 H46 Cu Mo8 N12 O30 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0489","0.0325","","","0.0496","0.0541","","","","","","1.018","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211343","11.4044","0.0006","22.5801","0.0008","11.8951","0.0006","90","","115.844","0.006","90","","2756.8","0.3","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cu2 Mo8 N12 O29 -","- C36 H36 Cu2 Mo8 N12 O29 -","- C72 H72 Cu4 Mo16 N24 O58 -","2","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0494","0.0355","","","0.0669","0.0715","","","","","","1.083","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211344","9.6394","0.0004","10.3809","0.0004","20.3352","0.0008","104.412","0.004","95.009","0.003","101.078","0.003","1914.45","0.14","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H50 Co Mo16 N12 O56 -","- C36 H46 Co Mo16 N12 O56 -","- C36 H46 Co Mo16 N12 O56 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0384","0.0291","","","0.0633","0.0676","","","","","","1.04","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211345","11.8441","0.0005","11.8441","0.0005","9.2064","0.0004","90","","90","","120","","1118.47","0.08","291","2","291.15","","","","","","","","","6","P -3","-P 3","147","","","","- C18 H24 Mo N6 O7 Zn -","- C18 H24 Mo N6 O7 Zn -","- C36 H48 Mo2 N12 O14 Zn2 -","2","0.333333","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0651","0.0489","","","0.1428","0.1576","","","","","","1.016","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211346","13.9824","0.0008","5.5774","0.0003","9.8671","0.0005","90","","90","","90","","769.49","0.07","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O9 Te W2 -","- Ba O9 Te W2 -","- Ba4 O36 Te4 W8 -","4","0.5","","Zhang, Zhonghan; Tao, Xutang; Zhang, Junjie; Sun, Youxuan; Zhang, Chengqian; Li, Bo","Synthesis, crystal growth, and characterization of the orthorhombic BaTeW2O9: a new polymorph of BaTeW2O9","CrystEngComm","2013","15","47","10197","","10.1039/c3ce41272e","","","0.71073","MoKα","","0.0186","0.0175","","","0.0367","0.037","","","","","","1.268","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211347","5.832","0.001","13.649","0.002","13.79","0.002","90","","90","","90","","1097.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ca(H2alend).H2O","","","- C4 H13 Ca N O8 P2 -","- C4 H11 Ca N O8 P2 -","- C16 H44 Ca4 N4 O32 P8 -","4","1","","Alvarez, Elsa; Marquez, Alfonso Garcia; Devic, Thomas; Steunou, Nathalie; Serre, Christian; Bonhomme, Christian; Gervais, Christel; Izquierdo-Barba, Isabel; Vallet-Regi, Maria; Laurencin, Danielle; Mauri, Francesco; Horcajada, Patricia","A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect?","CrystEngComm","2013","15","46","9899","","10.1039/c3ce41346b","","","0.71073","MoKα","","0.1139","0.094","","","0.235","0.2476","","","","","","1.115","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211348","3.848","0.006","11.006","0.009","26.045","0.008","99.47","0.03","90","","90","","1088","1.9","150","2","150","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","","","","- C11 H0 O2 S4 -","- C11 O2 S4 -","- C44 O8 S16 -","4","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció","Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents","CrystEngComm","2013","15","46","9878","","10.1039/c3ce41353e","","","0.71069","MoKα","","0.2531","0.1432","","","0.3231","0.3774","","","","","","1.069","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211349","43.192","0.004","6.091","0.003","23.009","0.006","90","","91.706","0.009","90","","6051","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound4","","","- C26 H20 O5 S8 -","- C26 H20 O5 S8 -","- C208 H160 O40 S64 -","8","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció","Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents","CrystEngComm","2013","15","46","9878","","10.1039/c3ce41353e","","","0.71069","MoKα","","0.0809","0.0514","","","0.1225","0.1327","","","","","","1.061","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211350","17.7765","0.0014","10.2326","0.0008","20.9614","0.0017","90","","108.681","0.001","90","","3612","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cd N6 O5 -","- C15 H14 Cd N6 O5 -","- C120 H112 Cd8 N48 O40 -","8","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.048","0.0371","","","0.1254","0.1311","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211351","8.817","0.003","35.043","0.011","14.69","0.004","90","","121.574","0.014","90","","3867","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cd3 N12 O10 -","- C38 H25 Cd3 N12 O9.5 -","- C152 H100 Cd12 N48 O38 -","4","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0408","0.0284","","","0.0607","0.0662","","","","","","0.982","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211352","12.2094","0.001","10.709","0.0009","18.4149","0.0015","90","","92.646","0.001","90","","2405.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cd2 N6 O10 -","- C20 H18 Cd2 N6 O10 -","- C80 H72 Cd8 N24 O40 -","4","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0239","0.0209","","","0.0509","0.0532","","","","","","0.959","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211353","8.1335","0.0019","16.014","0.004","16.343","0.004","62.282","0.002","87.655","0.002","87.504","0.002","1882.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd3 N12 O14 -","- C32 H28 Cd3 N12 O14 -","- C64 H56 Cd6 N24 O28 -","2","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0239","0.0211","","","0.049","0.0506","","","","","","1.053","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211354","26.5522","0.0013","16.7313","0.0009","8.0639","0.0004","90","","107.038","0.003","90","","3425.2","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 Cu2 F5 N3 O8 -","- C35 H26 Cu2 F5 N3 O8 -","- C140 H104 Cu8 F20 N12 O32 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0672","0.061","","","0.1639","0.1696","","","","","","1.114","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211355","26.366","0.003","16.393","0.002","8.1433","0.0009","90","","107.648","0.006","90","","3354","0.7","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H57 Cu4 F5 N6 O16 -","- C70 H57 Cu4 F5 N6 O16 -","- C140 H114 Cu8 F10 N12 O32 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0541","0.0502","","","0.1518","0.156","","","","","","1.125","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211356","10.6918","0.0011","17.4451","0.0017","10.9674","0.0011","90","","96.054","0.004","90","","2034.2","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H14 F5 N3 -","- C27 H14 F5 N3 -","- C108 H56 F20 N12 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0296","0.0293","","","0.0777","0.0782","","","","","","1.061","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211357","39.181","0.002","16.518","0.0009","25.5638","0.0014","90","","129.465","0.003","90","","12772.7","1.3","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C128 H108 F20 N12 O31 Zn5 -","- C128 H86 F20 N12 O31 Zn5 -","- C512 H344 F80 N48 O124 Zn20 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0962","0.0683","","","0.1802","0.2057","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211358","5.512","0.002","25.524","0.01","7.743","0.003","90","","109.287","0.009","90","","1028.2","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N8 S2 -","- C20 H22 N8 S2 -","- C40 H44 N16 S4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.076","0.0536","","","0.1317","0.153","","","","","","1.099","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211359","13.584","0.003","7.9537","0.0015","12.942","0.002","90","","115.153","0.004","90","","1265.7","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H18 Cl4 N8 S2 Zn2 -","- C18 H18 Cl4 N8 S2 Zn2 -","- C36 H36 Cl8 N16 S4 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0403","0.0307","","","0.0845","0.1079","","","","","","1.096","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211360","19.4605","0.0018","11.6501","0.001","14.0409","0.0013","90","","121.981","0.002","90","","2700.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl4 N8 S2 Zn2 -","- C20 H22 Cl4 N8 S2 Zn2 -","- C80 H88 Cl16 N32 S8 Zn8 -","4","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0597","0.0463","","","0.1073","0.1134","","","","","","1.028","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211361","11.1507","0.0015","16.62","0.002","14.0288","0.0019","90","","107.922","0.003","90","","2473.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl4 N16 S4 Zn2 -","- C42 H48 Cl4 N16 S4 Zn2 -","- C84 H96 Cl8 N32 S8 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0418","0.0341","","","0.0831","0.0865","","","","","","1.035","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211362","9.1365","0.001","13.0198","0.0015","13.8696","0.0016","90","","92.449","0.002","90","","1648.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl2 N5 S Zn -","- C14 H13 Cl2 N5 S Zn -","- C56 H52 Cl8 N20 S4 Zn4 -","4","1","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0444","0.037","","","0.089","0.0931","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211363","8.9397","0.0005","17.7137","0.0009","10.9396","0.0006","90","","100.914","0.001","90","","1701.01","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl4 N10 S2 Zn2 -","- C28 H26 Cl4 N10 S2 Zn2 -","- C56 H52 Cl8 N20 S4 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0288","0.0264","","","0.0654","0.0664","","","","","","1.043","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211364","12.787","0.003","13.339","0.003","16.139","0.004","65.969","0.004","83.547","0.004","85.33","0.004","2496.3","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 F15 I3 N8 O2 -","- C46 H40 F15 I3 N8 O2 -","- C92 H80 F30 I6 N16 O4 -","2","1","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0357","0.0293","","","0.0682","0.0713","","","","","","1.046","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211365","9.372","0.002","9.757","0.002","10.799","0.003","77.105","0.004","84.963","0.004","63.533","0.004","861.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 F4 I2 N8 O2 -","- C30 H40 F4 I2 N8 O2 -","- C30 H40 F4 I2 N8 O2 -","1","0.5","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0375","0.0335","","","0.0793","0.0814","","","","","","1.044","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211366","8.3319","0.0015","11.289","0.002","13.162","0.002","84.68","0.004","80.485","0.004","74.665","0.004","1175.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 F8 I6 N8 O2 -","- C32 H38 F7.998 I6 N8 O2 -","- C32 H38 F7.998 I6 N8 O2 -","1","0.5","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0701","0.0497","","","0.1106","0.1191","","","","","","1.091","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211367","9.9643","0.0005","11.976","0.0006","12.4981","0.0007","67.931","0.005","76.363","0.005","80.105","0.004","1337.44","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Cd5 N26 O14 -","- C46 H30 Cd5 N26 O14 -","- C46 H30 Cd5 N26 O14 -","1","0.5","","Yang, E.; Ding, Qing-Rong; Kang, Yao; Wang, Fei","Two photoluminescent metal‒organic frameworks with highly-connected topological nets","CrystEngComm","2013","15","48","10563","","10.1039/c3ce41415a","","","0.71073","MoKα","","0.0423","0.0366","","","0.0962","0.1015","","","","","","1.016","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211368","12.0876","0.0005","13.9694","0.0005","17.0235","0.0006","91.703","0.003","110.084","0.003","100.902","0.003","2637","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H22 Cd5 N24 O14 -","- C42 H22 Cd5 N24 O14 -","- C84 H44 Cd10 N48 O28 -","2","1","","Yang, E.; Ding, Qing-Rong; Kang, Yao; Wang, Fei","Two photoluminescent metal‒organic frameworks with highly-connected topological nets","CrystEngComm","2013","15","48","10563","","10.1039/c3ce41415a","","","0.71073","MoKα","","0.0429","0.0343","","","0.089","0.093","","","","","","1.194","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211369","19.563","0.006","18.755","0.005","20.674","0.006","90","","113.675","0.016","90","","6947","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Mo12 N12 O39 -","- C42 H54 Mo12 N12 O39 -","- C168 H216 Mo48 N48 O156 -","4","1","","Yue, Zhong-Cheng; Du, Hai-Juan; Niu, Yun-Yin; Jin, Guo-Xin","An unprecedented ι-type octamolybdate: [TbI1]2[(β-Mo8O26)0.5(ι-Mo8O26)] directed by a new tricationic template","CrystEngComm","2013","15","46","9844","","10.1039/c3ce41418c","","","0.71073","MoKα","","0.0611","0.0354","","","0.0642","0.0738","","","","","","1.01","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211370","10.923","0.004","10.889","0.004","12.814","0.004","90","","102.503","0.017","90","","1488","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H39 N3 O6 -","- C29 H39 N3 O6 -","- C58 H78 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.0497","0.0448","","","0.1235","0.128","","","","","","1.067","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211371","12.575","0.004","10.973","0.003","13.526","0.005","90","","105.577","0.009","90","","1797.8","1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C54 H70 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.1863","0.0993","","","0.2502","0.2947","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211372","26.273","","10.799","","25.051","","90","","95.02","","90","","7080.26","","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H32 Cd3 O21 -","- C30 H32 Cd3 O21 -","- C240 H256 Cd24 O168 -","8","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0294","0.0259","","","0.0648","0.0668","","","","","","1.06","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211373","10.3202","0.0005","13.9105","0.0007","16.3411","0.0007","90","","95.892","0.004","90","","2333.52","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cd N2 O8 -","- C27 H20 Cd N2 O8 -","- C108 H80 Cd4 N8 O32 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0488","0.0408","","","0.1363","0.1455","","","","","","1.063","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211374","8.5092","0.0002","40.4753","0.0013","15.5716","0.0004","90","","118.257","0.002","90","","4724","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 Cd3 N4 O14 -","- C54 H34 Cd3 N4 O14 -","- C216 H136 Cd12 N16 O56 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0617","0.0433","","","0.0804","0.0892","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211375","9.8127","0.0005","13.7846","0.0012","16.4007","0.0013","73.692","0.007","80.411","0.006","77.779","0.006","2067.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Mn N4 O12 -","- C50 H34 Mn N4 O12 -","- C100 H68 Mn2 N8 O24 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.1084","0.0617","","","0.1112","0.1456","","","","","","1.05","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211376","7.3341","0.0004","10.9138","0.0006","11.253","0.0009","90.484","0.005","104.231","0.006","105.006","0.005","840.8","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 Co2 O11 -","- C15 H16 Co2 O11 -","- C30 H32 Co4 O22 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0918","0.0767","","","0.1882","0.1999","","","","","","1.062","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211377","9.4312","0.0014","9.7651","0.0011","12.7597","0.0017","108.799","0.011","103.281","0.012","93.934","0.011","1069.6","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Mn3 N4 O12 -","- C50 H30 Mn3 N4 O12 -","- C50 H30 Mn3 N4 O12 -","1","0.5","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.7107","MoKα","","0.1053","0.0879","","","0.2063","0.2164","","","","","","1.112","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211378","9.5262","0.0019","21.006","0.004","12.489","0.002","90","","111.832","0.009","90","","2319.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 N2 O6 Pb -","- C27 H16 N2 O6 Pb -","- C108 H64 N8 O24 Pb4 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.038","0.0251","","","0.0509","0.0546","","","","","","0.998","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211379","13.144","0.0005","16.1395","0.0008","17.3653","0.0009","112.258","0.005","104.013","0.004","96.65","0.004","3218.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H48 N5 Ni3 O19 -","- C55 H48 N5 Ni3 O19 -","- C110 H96 N10 Ni6 O38 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.1097","0.0688","","","0.1639","0.1911","","","","","","1.026","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211380","6.955","0.002","18.182","0.003","22.181","0.003","90","","95.31","0.03","90","","2792.9","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate methanol 5.24-solvate","","- C41.23 H48.96 Cl6 Cu2 N16 O13.22 -","- C41.23 H28 Cl6 Cu2 N16 O13.23 -","- C82.46 H56 Cl12 Cu4 N32 O26.46 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1709","0.0541","","","0.1287","0.1521","","","","","","0.868","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211381","6.971","0.002","17.912","0.003","22.289","0.003","90","","95.64","0.03","90","","2769.6","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate tetrachloromethane disolvate","","- C38 H28 Cl14 Cu2 N16 O8 -","- C38 H28 Cl14 Cu2 N16 O8 -","- C76 H56 Cl28 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.293","0.105","","","0.1311","0.1983","","","","","","0.95","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211382","6.999","0.002","17.994","0.003","22.019","0.003","90","","95.67","0.03","90","","2759.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate toluene disolvate","","- C50 H44 Cl6 Cu2 N16 O8 -","- C50 H44 Cl6 Cu2 N16 O8 -","- C100 H88 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2272","0.0595","","","0.0753","0.1046","","","","","","0.777","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211383","14.183","0.003","18.048","0.003","22.365","0.004","90","","95.08","0.03","90","","5702.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate o-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C208 H192 Cl24 Cu8 N64 O32 -","4","1","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1009","0.0412","","","0.0724","0.0831","","","","","","0.813","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211384","6.987","0.002","18.534","0.003","22.097","0.004","90","","94.78","0.03","90","","2851.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate m-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.095","0.0422","","","0.0736","0.0814","","","","","","0.844","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211385","6.946","0.002","18.278","0.003","22.45","0.004","90","","91.75","0.03","90","","2848.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate p-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1048","0.0393","","","0.0652","0.0768","","","","","","0.847","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211386","7.023","0.002","18.472","0.003","22.101","0.004","90","","95.36","0.03","90","","2854.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate naphthalene clathrate","","- C56 H44 Cl6 Cu2 N16 O8 -","- C56 H44 Cl6 Cu2 N16 O8 -","- C112 H88 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2903","0.1199","","","0.1754","0.2289","","","","","","0.93","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211387","6.993","0.002","18.663","0.003","22.01","0.004","90","","95.07","0.03","90","","2861.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2566","0.1132","","","0.1762","0.2269","","","","","","1.017","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211388","7.093","0.002","18.185","0.003","18.27","0.003","90","","90.4","0.03","90","","2356.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate","","- C36 H28 Cl6 Cu2 N16 O8 -","- C36 H28 Cl6 Cu2 N16 O8 -","- C72 H56 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","1.54175","CuKα","","0.2944","0.0646","","","0.1244","0.1669","","","","","","0.531","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211389","8.1994","0.0016","16.883","0.003","12.655","0.004","90","","129.974","0.019","90","","1342.5","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Co N14 O2 -","- C8 H8 Co N14 O2 -","- C32 H32 Co4 N56 O8 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.1349","0.1184","","","0.2687","0.2759","","","","","","0.974","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211390","8.2502","0.0007","16.8656","0.001","12.7981","0.001","90","","129.908","0.005","90","","1366","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N14 O3 Zn -","- C8 H8 N14 O3 Zn -","- C32 H32 N56 O12 Zn4 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.1195","0.1135","","","0.2805","0.2821","","","","","","1.181","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211391","9.6277","0.0006","6.4382","0.0004","9.7615","0.0006","90","","95.393","0.005","90","","602.39","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Cu0.5 N7 -","- C4 H3 Cu0.5 N7 -","- C16 H12 Cu2 N28 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.0433","0.0339","","","0.0861","0.0885","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211392","8.3955","0.0017","16.678","0.003","13.398","0.004","90","","128.62","0.02","90","","1465.7","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd N14 O2.5 -","- C8 H8 Cd N14 O2.5 -","- C32 H32 Cd4 N56 O10 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.0785","0.0609","","","0.1319","0.1378","","","","","","1.19","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211393","18.1047","0.0018","26.696","0.003","18.618","0.003","90","","115.839","0.002","90","","8098.9","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H84 Cu3 N12 O24 -","- C78 H72 Cu3 N12 O24 -","- C312 H288 Cu12 N48 O96 -","4","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0695","0.0449","","","0.1144","0.1225","","","","","","1.058","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211394","10.1362","0.0013","16.167","0.002","16.57","0.002","110.64","0.002","92.365","0.002","102.114","0.002","2464.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 Cu3 N16 O28 -","- C90 H86 Cu3 N16 O28 -","- C90 H86 Cu3 N16 O28 -","1","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.092","0.0541","","","0.122","0.1351","","","","","","1.005","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211395","9.9622","0.001","18.3107","0.0018","15.7167","0.0015","90","","106.788","0.002","90","","2744.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O7 -","- C26 H26 Cu N4 O7 -","- C104 H104 Cu4 N16 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0464","0.0388","","","0.1118","0.1156","","","","","","1.076","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211396","9.8769","0.0011","12.6544","0.0014","16.4665","0.0018","109.065","0.002","91.359","0.002","106.942","0.002","1844.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N4 O11 -","- C34 H30 Cu2 N4 O11 -","- C68 H60 Cu4 N8 O22 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0446","0.0347","","","0.1043","0.1082","","","","","","1.119","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211397","9.8628","0.0006","18.1938","0.0011","15.8811","0.0009","90","","106.858","0.001","90","","2727.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O7 -","- C26 H26 Co N4 O7 -","- C104 H104 Co4 N16 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0369","0.0298","","","0.0783","0.081","","","","","","1.038","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211398","9.9566","0.0005","18.2591","0.0009","15.6736","0.0008","90","","107.467","0.001","90","","2718.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 Ni O7 -","- C26 H26 N4 Ni O7 -","- C104 H104 N16 Ni4 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0306","0.0262","","","0.0702","0.072","","","","","","1.042","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211399","9.7361","0.0006","18.0736","0.0012","16.1041","0.001","90","","105.956","0.001","90","","2724.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 O7 Zn -","- C26 H26 N4 O7 Zn -","- C104 H104 N16 O28 Zn4 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0382","0.0295","","","0.0721","0.0748","","","","","","1.039","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211400","10.1518","0.0006","11.2296","0.0007","12.6969","0.0007","86.471","0.001","79.731","0.001","66.137","0.001","1302.43","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cd N4 O7 -","- C26 H26 Cd N4 O7 -","- C52 H52 Cd2 N8 O14 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0261","0.0234","","","0.0561","0.0572","","","","","","1.045","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211401","10.1198","0.0012","10.1243","0.0012","13.32","0.0016","99.284","0.002","99.883","0.002","109.078","0.002","1235.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd N4 O6 -","- C26 H24 Cd N4 O6 -","- C52 H48 Cd2 N8 O12 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0313","0.0264","","","0.0634","0.0655","","","","","","1.042","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211402","10.5554","0.0008","22.6863","0.0018","12.4204","0.001","90","","100.712","0.001","90","","2922.4","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag6 K2 N20 O40 P W12 -","- C24 H16 Ag6 K2 N20 O40 P W12 -","- C48 H32 Ag12 K4 N40 O80 P2 W24 -","2","0.5","","Sun, Jingwen; Li, Mengting; Sha, Jingquan; Yan, Pengfei; Wang, Cheng; Li, Shuxian; Pan, Yang","Assembly of the first polyoxometalate-based hybrid with [ring+helix] channels and photocatalytic activity","CrystEngComm","2013","15","48","10584","","10.1039/c3ce41518j","","","0.71073","MoKα","","0.0817","0.0582","","","0.1408","0.1532","","","","","","1.042","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211403","10.8996","0.0004","19.1551","0.0006","29.1067","0.001","90","","90","","90","","6077","0.4","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","4-phenyl-1,2,3,5-dithiadiazolyl- 4-(4'-perfluoropyridyl)-1,2,3,5-dithiadiazolyl co-crystal","","","- C13 H5 F4 N5 S4 -","- C13 H5 F4 N5 S4 -","- C208 H80 F64 N80 S64 -","16","2","","Robinson, Sean W.; Haynes, Delia A.; Rawson, Jeremy M.","Co-crystal formation with 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2013","15","47","10205","","10.1039/c3ce41519h","","","1.54178","CuKα","","0.0243","0.0237","","","0.0658","0.0662","","","","","","1.096","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211404","9.225","0.004","30.478","0.013","8.366","0.003","90","","90","","90","","2352.2","1.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C15 H10 Cu2 N2 O8 S2 -","- C15 H10 Cu2 N2 O8 S2 -","- C60 H40 Cu8 N8 O32 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.1473","0.0922","","","0.2165","0.2392","","","","","","0.983","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211405","9.7573","0.001","16.7259","0.0017","10.2055","0.001","90","","95.508","0.002","90","","1657.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cu N2 O7 S2 -","- C14 H11 Cu N2 O7 S2 -","- C56 H44 Cu4 N8 O28 S8 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.127","0.0455","","","0.0568","0.0685","","","","","","0.754","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211406","14.86","0.003","30.778","0.005","11.919","0.002","90","","95.102","0.003","90","","5429.7","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cu N4 O7 S4 -","- C22 H16 Cu N4 O7 S4 -","- C176 H128 Cu8 N32 O56 S32 -","8","1","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.0983","0.061","","","0.1538","0.1782","","","","","","0.846","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211407","10.01","0.004","24.79","0.009","9.343","0.003","90","","113.657","0.007","90","","2123.6","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N2 O10 S2 -","- C12 H8 Cu N2 O10 S2 -","- C48 H32 Cu4 N8 O40 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.2339","0.0768","","","0.193","0.2848","","","","","","0.985","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211408","19.662","0.007","13.469","0.004","19.049","0.007","90","","119.676","0.004","90","","4383","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Cl2 Co N4 O4.5 -","- C19 H18 Cl2 Co N4 O4.5 -","- C152 H144 Cl16 Co8 N32 O36 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0789","0.0672","","","0.176","0.1874","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211409","9.911","0.003","10.115","0.003","12.281","0.004","83.369","0.014","67.12","0.012","69.755","0.012","1064","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cd Cl2 N4 O4 -","- C19 H18 Cd Cl2 N4 O4 -","- C38 H36 Cd2 Cl4 N8 O8 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0826","0.0576","","","0.1604","0.2407","","","","","","1.004","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211410","20.3721","0.0008","9.4647","0.0002","17.2551","0.0007","90","","97.434","0.003","90","","3299.1","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H38 Cd N8 O6 -","- C30 H38 Cd N8 O6 -","- C120 H152 Cd4 N32 O24 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.056","0.0387","","","0.109","0.1457","","","","","","1.009","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211411","12.412","0.005","16.372","0.007","31.497","0.013","90","","90","","90","","6400","5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H17 Cu N4 O4 -","- C16 H17 Cu N4 O4 -","- C256 H272 Cu16 N64 O64 -","16","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0454","0.0364","","","0.1247","0.1379","","","","","","1.007","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211412","21.489","0.003","7.1038","0.0008","23.022","0.004","90","","92.15","0.013","90","","3511.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Co N4 O5 -","- C16 H19 Co N4 O5 -","- C128 H152 Co8 N32 O40 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0571","0.0457","","","0.1248","0.1434","","","","","","1.014","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211413","12.3734","0.0002","11.2005","0.0002","15.8979","0.0003","90","","109.179","0.002","90","","2080.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Mn N5 O7 -","- C19 H21 Mn N5 O7 -","- C76 H84 Mn4 N20 O28 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.05","0.0462","","","0.1315","0.1342","","","","","","1.031","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211414","6.9774","0.0002","10.7434","0.0005","11.8115","0.0004","103.704","0.003","102.664","0.003","103.066","0.003","802.36","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br2 F4 N2 -","- C16 H10 Br2 F4 N2 -","- C32 H20 Br4 F8 N4 -","2","1","","Arcus, Vickery L.; Bernstein, Daniel R.; Crombie, Cameron W.; Saunders, Graham C.","Infinite stacking of alternating polyfluoroaryl rings and bromide anions","CrystEngComm","2013","15","46","9841","","10.1039/c3ce41582a","","","1.54184","CuKα","","0.0457","0.045","","","0.1469","0.1473","","","","","","1.147","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211415","22.718","0.0013","11.7263","0.0004","22.8679","0.0012","90","","118.173","0.007","90","","5370.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 Li N10 O7 Tb -","- C60 H50.409 Li N10 O7 Tb -","- C240 H201.636 Li4 N40 O28 Tb4 -","4","1","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.0745","0.0487","","","0.128","0.1393","","","","","","1.045","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211416","8.3","0.0007","28.445","0.0003","18.869","0.0006","90","","90","","90","","4454.8","0.4","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 Na O5 Tb -","- C55 H38 N10 Na O5 Tb -","- C220 H152 N40 Na4 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.0372","0.0273","","","0.0615","0.0651","","","","","","1.092","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211417","8.4313","0.0003","28.1513","0.001","18.9773","0.0006","90","","90","","90","","4504.3","0.3","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 K N10 O5 Tb -","- C55 H38 K N10 O5 Tb -","- C220 H152 K4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.073","0.0451","","","0.0736","0.0798","","","","","","1.047","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211418","8.4628","0.0005","28.0868","0.0009","19.0589","0.0007","90","","90","","90","","4530.2","0.3","150","1","150","1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 O5 Rb Tb -","- C55 H38 N10 O5 Rb Tb -","- C220 H152 N40 O20 Rb4 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.1025","0.0543","","","0.0788","0.0906","","","","","","0.944","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211419","8.0865","0.0002","28.952","0.0012","19.304","0.0005","90","","90","","90","","4519.5","0.2","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H34 Cs N10 O5 Tb -","- C55 H34 Cs N10 O5 Tb -","- C220 H136 Cs4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.0588","0.0417","","","0.1086","0.1154","","","","","","1.045","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211420","13.1038","0.0003","32.3516","0.0006","15.5736","0.0004","90","","105.086","0.002","90","","6374.6","0.3","149.95","0.1","149.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 N13 O10 Tb Zn -","- C70 H60 N13 O10 Tb Zn -","- C280 H240 N52 O40 Tb4 Zn4 -","4","1","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.1119","0.0666","","","0.145","0.1619","","","","","","0.977","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211421","9.7536","0.0012","11.3569","0.0017","15.934","0.003","90","","107.79","0.011","90","","1680.6","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N3 O7 Zn -","- C15 H16 N3 O7 Zn -","- C60 H64 N12 O28 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0446","0.0338","","","0.0747","0.08","","","","","","1.058","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211422","16.031","0.003","7.3539","0.0008","13.9631","0.0007","90","","109.457","0.007","90","","1552.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N3 O5 Zn -","- C15 H12 N3 O5 Zn -","- C60 H48 N12 O20 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0344","0.0273","","","0.0685","0.0727","","","","","","1.063","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211423","12.0604","0.0013","9.1735","0.001","17.818","0.003","90","","100.645","0.012","90","","1937.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N3 O10 Zn -","- C15 H22 N3 O10 Zn -","- C60 H88 N12 O40 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0436","0.0338","","","0.0833","0.0885","","","","","","1.039","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211424","10.524","0.0004","11.2622","0.0005","12.3561","0.0005","72.554","0.002","74.971","0.002","83.246","0.002","1348.07","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Cd N5 O11 -","- C23 H25 Cd N5 O11 -","- C46 H50 Cd2 N10 O22 -","2","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0277","0.0238","","","0.0624","0.0652","","","","","","1.029","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211425","11.6305","0.0017","15.905","0.003","13.6118","0.0015","90","","95.368","0.014","90","","2506.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N4 O8 Zn -","- C25 H22 N4 O8 Zn -","- C100 H88 N16 O32 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0451","0.0312","","","0.0684","0.0739","","","","","","1.049","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211426","11.3111","0.0002","13.8834","0.0003","16.8506","0.0003","90","","99.992","0.001","90","","2606.02","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cd N4 O10 -","- C25 H26 Cd N4 O10 -","- C100 H104 Cd4 N16 O40 -","4","2","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.1255","0.0579","","","0.0658","0.0806","","","","","","0.993","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211427","11.5273","0.0001","9.0488","0.0001","18.0697","0.0002","90","","97.707","0.001","90","","1867.79","0.03","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H17 Cd N2 O9 -","- C17 H16 Cd N2 O9 -","- C68 H64 Cd4 N8 O36 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0326","0.0253","","","0.0602","0.0634","","","","","","1.048","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211428","6.0834","0.0009","20.891","0.002","16.21","0.002","90","","94.148","0.012","90","","2054.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O11 Zn1.5 -","- C17 H14 N2 O11 Zn1.5 -","- C68 H56 N8 O44 Zn6 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0718","0.0421","","","0.095","0.1077","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211429","9.5341","0.0007","9.9276","0.0007","11.9991","0.0009","88.762","0.003","77.544","0.003","85.953","0.003","1106.2","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cu2 N6 O18 U -","- C40 H48 Cu2 N6 O18 U -","- C40 H48 Cu2 N6 O18 U -","1","0.5","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0297","0.0294","","","0.0808","0.0813","","","","","","1.1","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211430","9.1507","0.0008","15.0173","0.0012","10.8775","0.0009","90","","102.155","0.003","90","","1461.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H27 Cu N5 O12 U -","- C23 H27 Cu N5 O12 U -","- C46 H54 Cu2 N10 O24 U2 -","2","0.5","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0601","0.0424","","","0.1034","0.1162","","","","","","1.041","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211431","14.195","0.0015","14.5483","0.0015","15.8562","0.0016","64.927","0.004","74.116","0.004","63.15","0.004","2632.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H51 Cu2 N9 O19 U -","- C48 H51 Cu2 N9 O19 U -","- C96 H102 Cu4 N18 O38 U2 -","2","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0583","0.0398","","","0.1099","0.1261","","","","","","1.005","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211432","14.6991","0.0017","16.299","0.002","23.209","0.003","90","","96.525","0.005","90","","5524.4","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 Cu N5 O18 U2 -","- C18 H19 Cu N5 O18 U2 -","- C144 H152 Cu8 N40 O144 U16 -","8","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0949","0.0434","","","0.0867","0.1076","","","","","","1.011","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211433","12.493","0.0017","10.3764","0.0014","18.9139","0.0018","90","","121.136","0.006","90","","2098.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cu N2 O5 -","- C21 H26 Cu N2 O5 -","- C84 H104 Cu4 N8 O20 -","4","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0729","0.0448","","","0.0997","0.1117","","","","","","1.023","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211434","13.4533","0.0005","9.833","0.0004","22.8428","0.0009","90","","93.222","0.005","90","","3017","0.2","130","1","130","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H12 F2 O3 -","- C19 H12 F2 O3 -","- C152 H96 F16 O24 -","8","4","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","1.54178","CuKα","","0.0341","0.0332","","","0.0909","0.0922","","","","","","1.016","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211435","7.3019","0.0006","10.2526","0.0009","13.043","0.001","94.613","0.007","103.996","0.007","110.709","0.008","871.3","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C42 H32 F4 O6 -","2","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","0.71073","MoKα","","0.0744","0.0497","","","0.1161","0.1323","","","","","","1.047","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211436","6.9778","0.0003","11.1289","0.0005","11.5383","0.0005","96.213","0.003","98.252","0.004","93.542","0.004","878.8","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C42 H32 F4 O6 -","2","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","0.71073","MoKα","","0.0853","0.048","","","0.1007","0.1134","","","","","","0.983","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211437","5.6775","0.0003","30.6798","0.0009","9.5451","0.0004","90","","105.898","0.004","90","","1599.02","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 F2 N2 O2 -","- C19 H14 F2 N2 O2 -","- C76 H56 F8 N8 O8 -","4","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","1.54178","CuKα","","0.0426","0.0401","","","0.1058","0.1084","","","","","","1.039","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211438","13.4187","0.0006","9.2108","0.0004","23.0093","0.0009","90","","94.022","0.004","90","","2836.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 O4 -","- C17 H15 N2 O4 -","- C136 H120 N16 O32 -","8","1","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1124","0.0556","","","0.1224","0.1397","","","","","","1.04","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211439","8.1505","0.0006","8.9476","0.0008","16.1219","0.0012","75.732","0.007","85.986","0.006","77.938","0.007","1114.09","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 N2 O8 -","- C21 H30 N2 O8 -","- C42 H60 N4 O16 -","2","1","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1434","0.0574","","","0.1052","0.1345","","","","","","0.972","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211440","9.2171","0.0008","13.7702","0.001","16.1954","0.0014","78.083","0.007","79.755","0.007","81.159","0.007","1964.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N2 O6.5 -","- C21 H25 N2 O6.5 -","- C84 H100 N8 O26 -","4","2","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.3463","0.0984","","","0.1469","0.2268","","","","","","0.913","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211441","16.0482","0.0016","6.7332","0.0006","14.503","0.0019","90","","100.002","0.012","90","","1543.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O12 -","- C32 H36 N4 O12 -","- C64 H72 N8 O24 -","2","0.5","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1919","0.0642","","","0.0997","0.1411","","","","","","0.958","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211442","7.0586","0.0004","11.6096","0.0004","12.8621","0.0007","90","","92.413","0.005","90","","1053.08","0.09","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Waidmann, Thomas; Fritsch, Nico; Tucher, Johannes; Rudolf, Marc; Glaser, Felix; Guldi, Dirk M.; Burzlaff, Nicolai","Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole-2-yl)butadiyne ligand","CrystEngComm","2013","15","47","10157","","10.1039/c3ce41652f","","x-ray","0.71073","MoKα","","0.0443","0.0387","","","0.0958","0.0993","","","","","","1.068","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211443","8.0568","0.001","10.3125","0.001","16.0151","0.0016","98.594","0.008","94.875","0.009","93.583","0.009","1307.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C44 H50 N8 O20 Zn5 -","- C44 H50 N8 O20 Zn5 -","- C44 H50 N8 O20 Zn5 -","1","0.5","","Waidmann, Thomas; Fritsch, Nico; Tucher, Johannes; Rudolf, Marc; Glaser, Felix; Guldi, Dirk M.; Burzlaff, Nicolai","Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole-2-yl)butadiyne ligand","CrystEngComm","2013","15","47","10157","","10.1039/c3ce41652f","","x-ray","0.71073","MoKα","","0.0931","0.053","","","0.1122","0.1285","","","","","","1.015","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211444","5.5732","0.0006","5.5732","0.0006","25.339","0.004","90","","90","","120","","681.6","0.15","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H2 I4 K4 O27 V4 Zn4 -","- I4 K4 O27 V4 Zn4 -","- I4 K4 O27 V4 Zn4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0387","0.0347","","","0.07","0.0717","","","","","","1.23","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211445","5.5379","0.0002","5.5379","0.0002","25.931","0.002","90","","90","","120","","688.72","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H2 I4 K4 Ni4 O27 V4 -","- I4 K3.992 Ni4 O27 V4 -","- I4 K3.992 Ni4 O27 V4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0521","0.0512","","","0.0968","0.0972","","","","","","1.391","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211446","5.584","0.0002","5.584","0.0002","25.991","0.002","90","","90","","120","","701.85","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- Co4 H2 I4 K4 O27 V4 -","- Co4 I4 K4.002 O27 V4 -","- Co4 I4 K4.002 O27 V4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0279","0.027","","","0.0689","0.0697","","","","","","1.212","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211447","10.0459","0.0002","11.4179","0.0003","15.4175","0.0003","90","","90","","90","","1768.43","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Bi N3 O4 S2 -","- C14 H14 Bi N3 O4 S2 -","- C56 H56 Bi4 N12 O16 S8 -","4","1","","Sun, Yan-Qiong; Ge, Su-Zhi; Liu, Qi; Zhong, Jie-Cen; Chen, Yi-Ping","A novel 3-D chiral bismuth‒organic framework with mixed carboxylate, pyridine and thiolate donors exhibiting a semiconductive property","CrystEngComm","2013","15","47","10188","","10.1039/c3ce41696h","","","0.71073","MoKα","","0.0364","0.0277","","","0.0547","0.058","","","","","","1.017","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211448","9.2244","0.0013","12.2312","0.0017","14.169","0.002","85.858","0.002","73.698","0.002","75.367","0.002","1484.6","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N6 O7 -","- C33 H30 N6 O7 -","- C66 H60 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0787","0.0618","","","0.1429","0.153","","","","","","1.058","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211449","9.24","0.004","12.251","0.005","14.291","0.006","85.662","0.007","74.595","0.006","75.064","0.006","1506.9","1.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N6 O7 -","- C34 H32 N6 O7 -","- C68 H64 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.09","0.0686","","","0.2084","0.2248","","","","","","1.085","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211450","9.0028","0.0007","12.1877","0.0009","14.2782","0.001","82.971","0.001","76.802","0.001","76.409","0.001","1478.65","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N6 O7 -","- C32 H28 N6 O7 -","- C64 H56 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0817","0.0622","","","0.1621","0.1733","","","","","","1.065","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211451","10.593","0.004","13.595","0.005","13.825","0.005","116.453","0.005","102.398","0.007","100.412","0.006","1651.7","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N6 O7 S -","- C34 H32 N6 O7 S -","- C68 H64 N12 O14 S2 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.1355","0.0812","","","0.2056","0.2365","","","","","","0.998","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211452","8.981","0.0009","12.4978","0.0012","20.847","0.002","84.296","0.002","78.149","0.002","76.41","0.002","2222.7","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H46 N6 O9 -","- C51 H46 N6 O9 -","- C102 H92 N12 O18 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0796","0.0681","","","0.1556","0.1626","","","","","","1.104","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211453","9.118","0.003","12.291","0.004","20.327","0.006","82.842","0.006","79.34","0.006","75.048","0.005","2155.8","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H38 N6 O8 -","- C48 H38 N6 O8 -","- C96 H76 N12 O16 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.1649","0.1185","","","0.2315","0.2539","","","","","","1.158","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211454","8.6103","0.0013","31.467","0.005","16.826","0.003","90","","103.106","0.003","90","","4440.1","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 N7 O7 -","- C51 H41 N7 O7 -","- C204 H164 N28 O28 -","4","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0687","0.0472","","","0.1312","0.1528","","","","","","1.051","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211455","16.411","0.003","13.323","0.003","15.828","0.003","90","","98.087","0.003","90","","3426.3","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Dy Fe N11 O6 -","- C27 H33 Dy Fe N11 O6 -","- C108 H132 Dy4 Fe4 N44 O24 -","4","1","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0278","0.0221","","","0.0521","0.0546","","","","","","1.017","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211456","16.362","0.002","13.2326","0.0017","15.67","0.002","90","","98.246","0.002","90","","3357.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Co Dy N11 O6 -","- C27 H33 Co Dy N11 O6 -","- C108 H132 Co4 Dy4 N44 O24 -","4","1","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0877","0.0429","","","0.0719","0.0813","","","","","","1.017","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211457","10.2315","0.0017","13.364","0.002","13.475","0.002","94.491","0.002","111.353","0.002","101.917","0.002","1655","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Fe2 Ho2 N20 O14 -","- C50 H64 Fe2 Ho2 N20 O14 -","- C50 H64 Fe2 Ho2 N20 O14 -","1","0.5","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0355","0.0299","","","0.0837","0.1024","","","","","","1.129","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211458","10.179","0.002","13.196","0.003","13.425","0.003","93.782","0.004","111.077","0.002","102.158","0.003","1624.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 Co2 Ho2 N20 O15 -","- C50 H66 Co2 Ho2 N20 O15 -","- C50 H66 Co2 Ho2 N20 O15 -","1","0.5","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0304","0.026","","","0.0806","0.1027","","","","","","1.228","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211459","15.8147","0.0005","18.6849","0.0006","21.3439","0.0007","75.3559","0.0015","88.6776","0.0015","68.4075","0.0014","5656.8","0.3","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H74 B2 F48 Se12 -","- C100 H74 B2 F48 Se12 -","- C200 H148 B4 F96 Se24 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","1.54178","CuKα","","0.0507","0.0359","","","0.0835","0.0909","","","","","","1.028","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211460","14.3266","0.0008","14.8667","0.0009","20.0581","0.0011","90","","90","","90","","4272.2","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H28 B F24 N2 -","- C42 H28 B F24 N2 -","- C168 H112 B4 F96 N8 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","1.54178","CuKα","","0.0556","0.0477","","","0.1226","0.1284","","","","","","1.041","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211461","15.022","0.012","32.94","0.03","13.667","0.01","90","","109.008","0.01","90","","6394","9","100","2","99.98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H36 B F24 -","- C72 H36 B F24 -","- C288 H144 B4 F96 -","4","0.5","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.0907","0.0555","","","0.144","0.1582","","","","","","1.071","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211462","16.96","0.004","32.662","0.007","14.213","0.003","90","","100.821","0.006","90","","7733","3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 B F24 -","- C76 H64 B F24 -","- C304 H256 B4 F96 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1431","0.0698","","","0.1748","0.2007","","","","","","0.934","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211463","12.8081","0.0003","13.7618","0.0004","13.8612","0.0004","109.975","0.0013","90.7942","0.0013","97.8496","0.0013","2269.9","0.11","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 B F24 S4 -","- C42 H24 B F24 S4 -","- C84 H48 B2 F48 S8 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.0676","0.0424","","","0.096","0.1086","","","","","","1.035","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211464","16.355","0.004","33.297","0.009","14.053","0.004","90","","103.984","0.005","90","","7426","3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 B F24 -","- C72 H60 B F24 -","- C288 H240 B4 F96 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1461","0.0752","","","0.1949","0.2202","","","","","","0.988","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211465","13.058","0.002","15.975","0.003","21.315","0.004","90","","93.417","0.004","90","","4438.4","1.4","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H18 B Cl2 F24 S4 -","- C39 H18 B Cl2 F24 S4 -","- C156 H72 B4 Cl8 F96 S16 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1231","0.0648","","","0.144","0.1732","","","","","","1.016","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211466","14.6567","0.0003","14.6567","0.0003","14.6567","0.0003","90","","90","","90","","3148.54","0.11","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C16 H36 I6 N4 Pb -","- C16 H35.88 I6 N4 Pb -","- C64 H143.52 I24 N16 Pb4 -","4","0.166667","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0296","0.0296","","","0.076","0.076","","","","","","1.341","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211467","9.3555","0.0006","20.2788","0.0012","14.7688","0.001","90","","126.541","0.004","90","","2251.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 I10 N4 Pb3 -","- C20 H44 I10 N4 Pb3 -","- C40 H88 I20 N8 Pb6 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0371","0.0298","","","0.0588","0.0609","","","","","","0.948","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211468","10.839","0.004","20.008","0.006","12.216","0.004","90","","110.346","0.003","90","","2484","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 I10 N4 Pb3 -","- C24 H52 I10 N4 Pb3 -","- C48 H104 I20 N8 Pb6 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0599","0.0511","","","0.1383","0.1463","","","","","","1.108","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211469","10.1927","0.0004","10.1927","0.0004","14.8276","0.001","90","","90","","120","","1334.07","0.12","293","2","293","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C6 H18 I6 N2 O Pb -","- C6 H14 I6 N2 O Pb -","- C12 H28 I12 N4 O2 Pb2 -","2","0.166667","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0297","0.0294","","","0.0791","0.0792","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211470","15.5866","0.0006","32.6596","0.0015","9.4273","0.0004","90","","90","","90","","4799","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H82 I24 N10 Pb7 -","- C36 H82 I24 N10 Pb7 -","- C72 H164 I48 N20 Pb14 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0323","0.0277","","","0.0425","0.0442","","","","","","0.886","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211471","9.1225","0.0011","22.378","0.003","15.398","0.002","90","","95.343","0.002","90","","3129.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 I12 N4 O Pb4 -","- C40 H54 I12 N4 O Pb4 -","- C80 H108 I24 N8 O2 Pb8 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0257","0.0219","","","0.0439","0.0448","","","","","","0.951","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211472","9.9838","0.0004","19.7383","0.0008","19.7279","0.0009","90","","106.96","0.003","90","","3718.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Co N6 O4 -","- C44 H28 Co N6 O4 -","- C176 H112 Co4 N24 O16 -","4","1","","Yang, Juan; Liu, Junliang; Wang, Xin; Chi, Xiaolin; Zhang, Jinling; Zhang, Huayi; Xiao, Dongrong; Luo, Qunli","An unusual 3D 8-connected entangled coordination network with coexistence of self-threading, polythreading and interpenetration","CrystEngComm","2013","15","48","10435","","10.1039/c3ce41727a","","","0.71073","MoKα","","0.1663","0.0611","","","0.0887","0.1083","","","","","","1.117","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211473","21.96","0.004","7.655","0.0015","6.167","0.0012","90","","91.47","0.03","90","","1036.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0269","0.0268","","","0.0654","0.0655","","","","","","1.061","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211474","21.963","0.004","7.6577","0.0015","6.1689","0.0012","90","","91.48","0.03","90","","1037.2","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0291","0.0286","","","0.0652","0.0654","","","","","","1.09","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211475","7.6439","0.0015","22.013","0.004","6.1556","0.0012","90","","90","","90","","1035.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0399","0.0382","","","0.0629","0.0638","","","","","","1.073","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211476","7.6486","0.0015","22.019","0.004","6.155","0.0012","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0206","0.0203","","","0.0493","0.0495","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211477","5.9704","0.0012","23.888","0.005","10.792","0.002","90","","105.03","0.03","90","","1486.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Ce2 O17 S2 -","- C4 H10 Ce2 O17 S2 -","- C16 H40 Ce8 O68 S8 -","4","1","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0433","0.0346","","","0.0702","0.0733","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211478","11.03","0.002","13.57","0.003","13.623","0.003","90","","113.4","0.03","90","","1871.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cu2 N8 O14 -","- C40 H32 Cu2 N8 O14 -","- C80 H64 Cu4 N16 O28 -","2","0.5","","Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.","Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand","CrystEngComm","2013","15","47","10165","","10.1039/c3ce41783b","","","1.5418","CuKα","","0.0548","0.0379","","","0.0903","0.1005","","","","","","1.036","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211479","13.5402","0.0008","11.3945","0.0007","16.0434","0.0009","90","","90","","90","","2475.2","0.3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C21 H17 Cu N4 O7 S -","- C21 H17 Cu N4 O7 S -","- C84 H68 Cu4 N16 O28 S4 -","4","0.5","","Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.","Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand","CrystEngComm","2013","15","47","10165","","10.1039/c3ce41783b","","","0.71073","MoKα","","0.0777","0.0484","","","0.1289","0.1578","","","","","","0.816","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211480","22.9907","0.0019","22.9907","0.0019","22.9907","0.0019","90","","90","","90","","12152.2","1.7","200","2","200","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C144 H240 K24 N48 O248 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.7107","MoKα","","0.0614","0.06","","","0.1658","0.171","","","","","","1.113","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211481","23.6018","0.0003","26.1777","0.0005","28.6623","0.0005","90","","90","","90","","17708.7","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C240 H528 N96 O360 Rh32 S96 Zn32 -","4","1","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.71075","MoKα","","0.0796","0.0574","","","0.1147","0.1254","","","","","","1.082","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211482","5.178","0.004","7.208","0.005","8.889","0.007","90","","100.84","0.009","90","","325.8","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru","Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii)","CrystEngComm","2013","15","47","10193","","10.1039/c3ce41806e","","","0.71075","MoKα","","","0.0457","","","","0.1166","","","","","","1.118","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211483","5.0908","0.0008","8.6939","0.0012","7.73","0.0014","90","","107.141","0.008","90","","326.93","0.09","249","","249","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru","Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii)","CrystEngComm","2013","15","47","10193","","10.1039/c3ce41806e","","","0.71075","MoKα","","","0.0255","","","","0.064","","","","","","1.183","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211484","19.392","0.012","7.228","0.005","9.387","0.006","90","","90","","90","","1315.7","1.5","273","2","273","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0567","0.052","","","0.1593","0.162","","","","","","1.14","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211485","7.1654","0.0003","18.5414","0.0008","10.8922","0.0005","90","","90","","90","","1447.1","0.11","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co N O5 -","- C14 H11 Co N O5 -","- C56 H44 Co4 N4 O20 -","4","0.5","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0276","0.0255","","","0.0647","0.0656","","","","","","1.081","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211486","13.9309","0.0004","13.9309","0.0004","27.6863","0.0012","90","","90","","120","","4653.2","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C12 H15 N15 O15 Zn9 -","- C12 H15 N15 O15 Zn9 -","- C72 H90 N90 O90 Zn54 -","6","1","","Wen, Jiong; Yang, Xiao-Gang; Guo, Wei; Liu, Chun-Sen; Du, Miao","A unique 3-D (3,18)-connected coordination framework based on a new type of {Zn18} double-stranded metallacrown","CrystEngComm","2013","15","47","10171","","10.1039/c3ce41828f","","","0.71073","MoKα","","0.0879","0.0557","","","0.1875","0.2221","","","","","","1.052","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211487","13.4158","0.0004","21.8551","0.0006","14.4779","0.0004","90","","92.291","0.003","90","","4241.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H72 Cd3 O20 P2 -","- C104 H72 Cd3 O20 P2 -","- C208 H144 Cd6 O40 P4 -","2","0.5","","Chen, Shu-Mei; Chen, Yan-Fei; Lin, Rui; Lei, Xiao-Ping; Zhang, Jian","Organic templates promoted photocatalytic and photoluminescent properties between two coordination polymers","CrystEngComm","2013","15","48","10423","","10.1039/c3ce41930d","","","0.71073","MoKα","","0.0557","0.0352","","","0.0883","0.0984","","","","","","0.801","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211488","15.1394","0.0007","16.567","0.0007","17.868","0.0007","95.399","0.003","97.074","0.003","102.332","0.004","4311.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Cd3 N O20 -","- C72 H68 Cd3 N O20 -","- C144 H136 Cd6 N2 O40 -","2","1","","Chen, Shu-Mei; Chen, Yan-Fei; Lin, Rui; Lei, Xiao-Ping; Zhang, Jian","Organic templates promoted photocatalytic and photoluminescent properties between two coordination polymers","CrystEngComm","2013","15","48","10423","","10.1039/c3ce41930d","","","0.71073","MoKα","","0.0992","0.0831","","","0.2448","0.2624","","","","","","1.143","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211489","23.8424","0.0005","14.7858","0.0003","7.6296","0.0002","90","","90","","90","","2689.65","0.11","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H23 Cd2 N9 O15 S2 -","- C15 H23 Cd2 N9 O15 S2 -","- C60 H92 Cd8 N36 O60 S8 -","4","0.5","","Safin, Damir A.; Xu, Yang; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part I: First crystal structure of a TPymT complex with a d-metal cation","CrystEngComm","2013","15","48","10419","","10.1039/c3ce42146e","","","0.71073","MoKα","","0.0266","0.0219","","","0.0569","0.0594","","","","","","1.009","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211490","14.5748","0.0014","7.2463","0.0007","24.444","0.002","90","","90","","90","","2581.6","0.4","15","","15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N2 P S2 -","- C14 H9 N2 P S2 -","- C112 H72 N16 P8 S16 -","8","1","","Hey, Jakob; Leusser, Dirk; Kratzert, Daniel; Fliegl, Heike; Dieterich, Johannes M.; Mata, Ricardo A.; Stalke, Dietmar","Heteroaromaticity approached by charge density investigations and electronic structure calculations.","Physical chemistry chemical physics : PCCP","2013","15","47","20600","20610","10.1039/c3cp53756k","","","0.71073","MoKα","","0.015","0.015","","","","0.029","","","","","","1.434","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211491","29.861","0.003","10.2141","0.0011","21.675","0.002","90","","117.455","0.001","90","","5866.4","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cl N O7 -","- C32 H26 Cl N O7 -","- C256 H208 Cl8 N8 O56 -","8","1","","Wang, Huiyan; Liu, Xuecheng; Feng, Xian; Huang, Zhibin; Shi, Daqing","GAP chemistry for pyrrolyl coumarin derivatives: a highly efficient one-pot synthesis under catalyst-free conditions","Green Chemistry","2013","15","12","3307","","10.1039/c3gc41799a","","","0.71073","MoKα","","0.1042","0.0517","","","0.1258","0.1518","","","","","","1.018","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7214523","20.507","0.009","16.63","0.007","14.456","0.006","90","","113.214","0.007","90","","4531","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H25 N6 O13 Tb -","- C13 H15 N6 O13 Tb -","- C104 H120 N48 O104 Tb8 -","8","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.079","0.0631","","","0.1687","0.1838","","","","","","1.063","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214524","11.252","0.006","15.764","0.009","9.851","0.006","90","","93.173","0.008","90","","1744.7","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Eu N6 O11 -","- C11 H16 Eu N6 O11 -","- C44 H64 Eu4 N24 O44 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0628","0.0515","","","0.1464","0.1558","","","","","","1.089","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214525","11.225","0.004","15.717","0.005","9.817","0.003","90","","93.16","0.005","90","","1729.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Gd N6 O11 -","- C11 H16 Gd N6 O11 -","- C44 H64 Gd4 N24 O44 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0844","0.0724","","","0.1782","0.1886","","","","","","1.078","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214526","11.1943","0.0006","15.6877","0.0013","9.8087","0.0006","90","","93.125","0.006","90","","1720","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N6 O11 Tb -","- C11 H16 N6 O11 Tb -","- C44 H64 N24 O44 Tb4 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0384","0.0364","","","0.0942","0.0962","","","","","","1.051","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214527","4.664","0.002","13.625","0.006","6.339","0.002","90","","115.82","0.03","90","","362.6","0.3","296","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C8 H4 Mn O4 -","- C8 H4 Mn O4 -","- C16 H8 Mn2 O8 -","2","0.5","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0459","0.0435","","","0.1193","0.1199","","","","","","1.218","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214528","13.171","0.005","5.1292","0.0018","11.719","0.004","90","","110.745","0.006","90","","740.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cu N0 O4 -","- C8 H4 Cu O4 -","- C32 H16 Cu4 O16 -","4","1","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0535","0.0444","","","0.107","0.1106","","","","","","1.064","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214529","11.648","0.002","12.091","0.003","11.846","0.003","90","","103.245","0.004","90","","1624","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Co3 O10 -","- C16 H10 Co3 O10 -","- C64 H40 Co12 O40 -","4","1","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0601","0.0409","","","0.1045","0.1136","","","","","","0.966","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214530","18.961","0.004","18.961","0.004","50.901","0.01","90","","90","","120","","15848","6","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C34 H14 Cu3 O15 -","- C34 H14 Cu3 O15 -","- C204 H84 Cu18 O90 -","6","0.25","","Lu, Zhiyong; Du, Liting; Zheng, Baishu; Bai, Junfeng; Zhang, Mingxing; Yun, Ruirui","A highly porous agw-type metal‒organic framework and its CO2 and H2 adsorption capacity","CrystEngComm","2013","15","45","9348","","10.1039/c3ce41119b","","","0.71073","MoKα","","0.17","0.1023","","","0.34","0.3758","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214531","22.6591","0.0011","22.6591","0.0011","12.7035","0.0012","90","","90","","90","","6522.4","0.8","173","2","173","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26.5 H27.75 Co N2 O7.38 -","- C26.5 H16 Co N2 O7.38 -","- C212 H128 Co8 N16 O59.04 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0909","0.0666","","","0.2142","0.2347","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214532","17.0218","0.0005","10.599","0.0003","18.3064","0.0005","90","","106.073","0.001","90","","3173.63","0.16","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C55 H57.9 Co2 N4 O16.35 -","- C55.2 H48 Co2 N4 O16.35 -","- C110.4 H96 Co4 N8 O32.7 -","2","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0715","0.0569","","","0.1746","0.1951","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214533","10.7022","0.0004","10.7022","0.0004","22.8742","0.0019","90","","90","","120","","2268.9","0.2","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C26.4 H24.2 Co N2 O7.1 -","- C26.4 H22 Co N2 O7.1 -","- C79.2 H66 Co3 N6 O21.3 -","3","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.1398","0.1046","","","0.2944","0.3235","","","","","","1.298","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214534","17.753","0.0015","17.8428","0.0015","19.7082","0.0017","102.91","0.002","102.857","0.002","90.683","0.002","5920","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Cu F20 N12 O9 S2 -","- C50 H24 Cu F20 N12 O9 S2 -","- C200 H96 Cu4 F80 N48 O36 S8 -","4","2","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1518","0.0829","","","0.2092","0.2412","","","","","","0.941","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214535","14.069","0.0015","16.4751","0.0018","17.8873","0.0019","70.271","0.002","81.333","0.002","67.876","0.002","3614","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H42 Cd2 F20 N12 O17 S4 -","- C52 H36 Cd2 F20 N12 O17 S4 -","- C104 H72 Cd4 F40 N24 O34 S8 -","2","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0997","0.0688","","","0.1769","0.1966","","","","","","1.049","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214536","42.976","0.014","7.96","0.003","8.547","0.003","90","","96.42","0.005","90","","2905.5","1.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 Cu F10 N4 O3 -","- C26 H14 Cl2 Cu F10 N4 O3 -","- C104 H56 Cl8 Cu4 F40 N16 O12 -","4","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1244","0.1141","","","0.2674","0.2736","","","","","","1.309","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214537","16.085","0.0007","16.085","0.0007","20.6375","0.0012","90","","90","","90","","5339.5","0.5","298","2","298","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C48 H22 Cl2 Cu F20 N8 O13 -","- C48 H20 Cl2 Cu F20 N8 O13 -","- C192 H80 Cl8 Cu4 F80 N32 O52 -","4","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0791","0.0678","","","0.2069","0.2269","","","","","","1.028","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214538","15.859","0.002","20.759","0.003","16.412","0.002","90","","90.95","0.003","90","","5402.4","1.2","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 B2 Cu F28 N8 O6 -","- C48 H20 B2 Cu F28 N8 O6 -","- C192 H80 B8 Cu4 F112 N32 O24 -","4","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1097","0.0729","","","0.1891","0.2206","","","","","","1.031","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214539","22.2079","0.0012","22.2079","0.0012","11.9119","0.0013","90","","90","","90","","5874.8","0.8","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C96 H48 Cl4 Cu2 F40 N16 O12 -","- C96 H40 Cl4 Cu2 F40 N16 O12 -","- C192 H80 Cl8 Cu4 F80 N32 O24 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1122","0.0982","","","0.2629","0.2771","","","","","","1.005","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214540","20.7225","0.0011","10.7393","0.0006","23.8872","0.0013","90","","101.536","0.001","90","","5208.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H20 Cl4 Cu2 F20 N8 O5 -","- C48 H20 Cl4 Cu2 F20 N8 O5 -","- C192 H80 Cl16 Cu8 F80 N32 O20 -","4","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0663","0.0441","","","0.1258","0.1452","","","","","","0.975","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214541","12.1671","0.0009","14.9959","0.0012","7.1861","0.0005","90","","100.349","0.002","90","","1289.82","0.17","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 Cl2 Cu F10 N4 O2 -","- C24 H10 Cl2 Cu F10 N4 O2 -","- C48 H20 Cl4 Cu2 F20 N8 O4 -","2","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0512","0.0399","","","0.1169","0.1283","","","","","","0.984","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214542","17.8802","0.0014","17.8802","0.0014","8.4406","0.0009","90","","90","","90","","2698.5","0.4","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C48 H45 Cu N12 O15 S -","- C48 H45 Cu N12 O15 S -","- C96 H90 Cu2 N24 O30 S2 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0847","0.0784","","","0.2371","0.2412","","","","","","1.16","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214543","4.8692","0.0008","47.735","0.008","6.2805","0.001","90","","91.129","0.004","90","","1459.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H16 Cu F10 N4 O7 S -","- C26 H14 Cu F10 N4 O7 S -","- C52 H28 Cu2 F20 N8 O14 S2 -","2","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1148","0.0949","","","0.22","0.2359","","","","","","1.261","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214544","42.46","0.015","8.054","0.003","18.087","0.006","90","","98.341","0.006","90","","6120","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H34 Cu F26 N8 O7 Si -","- C52 H28 Cu F26 N8 O7 Si -","- C208 H112 Cu4 F104 N32 O28 Si4 -","4","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1386","0.0916","","","0.2497","0.2937","","","","","","0.995","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214545","13.758","0.0011","25.2156","0.0018","14.9205","0.0011","90","","111.399","0.004","90","","4819.3","0.6","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Zn(bpdc-[NO2]2(dabco)(DMF))n","","","- C20 H10 N4 O9 Zn -","- C20 H10 N4 O9 Zn -","- C160 H80 N32 O72 Zn8 -","8","1","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","1.54178","CuKα","","0.0704","0.0645","","","0.1942","0.2009","","","","","","1.118","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214546","28.0614","0.0011","30.0942","0.0019","30.0947","0.0012","90","","90","","90","","25415","2","250","2","250","2","","","","","","","","5","F m m m","-F 2 2","69","BMOF-1-bpdc-[NO2]2","","","- C48 H0 N8 O17 Zn2 -","- C48 N8 O17.002 Zn2 -","- C768 N128 O272.032 Zn32 -","16","0.5","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","1.54178","CuKα","","0.1671","0.1579","","","0.5586","0.5968","","","","","","1.097","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214547","21.3799","0.0018","21.4597","0.0018","27.944","0.002","90","","90","","90","","12820.9","1.8","250","2","250","2","","","","","","","","5","C c c m","-C 2 2c","66","BMOF-1-bpdc-NO2","","","- C38 H8 N6 O8 Zn2 -","- C37.92 H8 N6 O8 Zn2 -","- C151.68 H32 N24 O32 Zn8 -","4","0.25","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","0.71073","MoKα","","0.0886","0.0466","","","0.1265","0.1379","","","","","","0.993","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214548","21.355","0.002","21.355","0.002","19.211","0.002","90","","90","","90","","8760.9","1.5","250","2","250","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","DMOF-1-bpdc-NO2","","","- C36 H0 N2 O8 Zn2 -","- C36 N2 O8 Zn2 -","- C144 N8 O32 Zn8 -","4","0.125","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","0.71073","MoKα","","0.1058","0.0647","","","0.2214","0.2398","","","","","","1.014","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214549","20.8424","0.0008","10.6114","0.0003","9.0023","0.0004","90","","111.686","0.004","90","","1850.09","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mo O7 P -","- C4 H8 Mo O7 P -","- C32 H64 Mo8 O56 P8 -","8","1","","Ayi, Ayi A.; Burrows, Andrew D.; Mahon, Mary F.; Sebestyen, Viorica M.","A molybdenum diphosphonate network structure exhibiting reversible dehydration and selective uptake of methanol","CrystEngComm","2013","15","45","9301","","10.1039/c3ce40484f","","","0.7107","MoKα","","0.0328","0.02","","","0.0405","0.0415","","","","","","0.946","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214550","17.4807","0.0003","17.4807","0.0003","10.435","0.0002","90","","90","","120","","2761.47","0.09","100","2","100","2","","","","","","","","5","P 61","P 61","169","ThrZnOAc","","","- C12 H26 N2 O10 Zn -","- C12 H16 N2 O10 Zn -","- C72 H96 N12 O60 Zn6 -","6","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks","CrystEngComm","2013","15","45","9634","","10.1039/c3ce41083h","","","0.71073","MoKα","","0.0533","0.0513","","","0.1358","0.1378","","","","","","1.051","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214551","20.3296","0.0018","10.0183","0.0009","20.7795","0.0019","90","","103.925","0.001","90","","4107.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N6 O16 Zn2 -","- C42 H30 N6 O16 Zn2 -","- C168 H120 N24 O64 Zn8 -","4","0.5","","He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.","Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands","CrystEngComm","2013","15","45","9437","","10.1039/c3ce40445e","","","0.71073","MoKα","","0.0853","0.0602","","","0.1417","0.1617","","","","","","1.072","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214552","10.1203","0.0019","12.479","0.002","12.856","0.002","114.531","0.002","100.79","0.002","92.305","0.002","1438.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 N12 O10 Zn2 -","- C60 H46 N12 O10 Zn2 -","- C60 H46 N12 O10 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.","Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands","CrystEngComm","2013","15","45","9437","","10.1039/c3ce40445e","","","0.71073","MoKα","","0.117","0.0806","","","0.236","0.2581","","","","","","1.101","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214553","16.1284","0.0002","16.1284","0.0002","5.2134","0.0001","90","","90","","90","","1356.14","0.04","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C24 H20 Cd Cl2 N8 O4 -","- C24 H20 Cd Cl2 N8 O4 -","- C48 H40 Cd2 Cl4 N16 O8 -","2","0.25","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.0258","0.0243","","","0.0676","0.0686","","","","","","1.068","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214554","10.6965","0.0005","10.9917","0.0005","11.8093","0.0005","99.715","0.002","98.778","0.002","92.825","0.002","1348.49","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cd Cl2 N16 O10 -","- C48 H44 Cd Cl2 N16 O10 -","- C48 H44 Cd Cl2 N16 O10 -","1","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.0491","0.0447","","","0.1352","0.1399","","","","","","1.04","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214555","7.4763","0.0001","8.3707","0.0001","9.0121","0.0001","93.246","0.001","113.291","0.001","105.23","0.001","491.575","0.012","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd N4 O8 -","- C16 H22 Cd N4 O8 -","- C16 H22 Cd N4 O8 -","1","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.018","0.0178","","","0.0476","0.0477","","","","","","1.097","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214556","5.8966","0.0003","26.491","0.0016","9.3632","0.0006","90","","104.022","0.002","90","","1419.01","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O7 Sr -","- C13 H10 N2 O7 Sr -","- C52 H40 N8 O28 Sr4 -","4","1","","Roy, Bijan; Mukherjee, Sandip; Mukherjee, Partha Sarathi","Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid","CrystEngComm","2013","15","45","9596","","10.1039/c3ce41080c","","","0.71073","MoKα","","0.067","0.0486","","","0.1159","0.1289","","","","","","1.167","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214557","18.775","0.004","11.423","0.002","22.206","0.005","90","","90.663","0.006","90","","4762.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Cd2 N7 O24 -","- C35 H53 Cd2 N7 O24 -","- C140 H212 Cd8 N28 O96 -","4","1","","Roy, Bijan; Mukherjee, Sandip; Mukherjee, Partha Sarathi","Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid","CrystEngComm","2013","15","45","9596","","10.1039/c3ce41080c","","","0.71073","MoKα","","0.0739","0.0432","","","0.0841","0.0925","","","","","","1.062","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214558","12.6341","0.0008","35.035","0.002","8.0278","0.0005","90","","104.375","0.003","90","","3442.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N10 O10 S -","- C29 H36 N10 O10 S -","- C116 H144 N40 O40 S4 -","4","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","A supramolecular dual-host based ion-pair induced formation of 1D coordination polymer","CrystEngComm","2013","15","45","9641","","10.1039/c3ce41054d","","","0.71073","MoKα","","0.1497","0.095","","","0.1733","0.2031","","","","","","1.273","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214559","15.532","0.0005","18.0531","0.0006","18.7587","0.0006","96.715","0.002","94.667","0.002","108.814","0.002","4904.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H215.2 K4 N40 O66 -","- C158 H215.2 K4 N40 O66 -","- C158 H215.2 K4 N40 O66 -","1","0.5","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","A supramolecular dual-host based ion-pair induced formation of 1D coordination polymer","CrystEngComm","2013","15","45","9641","","10.1039/c3ce41054d","","","0.71073","MoKα","","0.178","0.0883","","","0.2153","0.2884","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214560","18.0166","0.0005","18.0166","0.0005","18.6077","0.0005","90","","90","","120","","5230.8","0.2","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-ethoxy-imidazolate-4-amide-5-imidato)-zinc(II) dimethylformamide solvate","","- C8.5 H11.5 N4.5 O3.5 Zn -","- C7 H8 N4 O3 Zn -","- C126 H144 N72 O54 Zn18 -","18","1","","Mondal, Suvendu Sekhar; Dey, Subarna; Baburin, Igor A.; Kelling, Alexandra; Schilde, Uwe; Seifert, Gotthard; Janiak, Christoph; Holdt, Hans-Jürgen","Syntheses of two imidazolate-4-amide-5-imidate linker-based hexagonal metal‒organic frameworks with flexible ethoxy substituent","CrystEngComm","2013","15","45","9394","","10.1039/c3ce41632a","","","0.71073","MoKα","","0.0236","0.0212","","","0.0559","0.0569","","","","","","1.049","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214561","18.6648","0.0014","14.4855","0.0013","20.3605","0.0017","90","","91.374","0.007","90","","5503.3","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 B2 Cu2 F8 N4 O P3 -","- C56 H53 B2 Cu2 F8 N4 O P3 -","- C224 H212 B8 Cu8 F32 N16 O4 P12 -","4","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.1583","0.0591","","","0.0945","0.1114","","","","","","0.799","","","","has coordinates","198636","2020-10-21","18:00:00",""
"7214562","12.6603","0.0006","15.6342","0.0007","17.0355","0.0008","78.234","0.004","68.971","0.004","68.871","0.004","2924.9","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H66 B2 Cu2 F8 N3 O5 P3 -","- C58 H66 B2 Cu2 F8 N3 O5 P3 -","- C116 H132 B4 Cu4 F16 N6 O10 P6 -","2","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.1065","0.0537","","","0.1105","0.12","","","","","","0.945","","","","has coordinates","198636","2020-10-21","18:00:00",""
"7214563","42.216","0.002","17.4513","0.0007","20.096","0.0009","90","","90","","90","","14805.2","1.1","173","2","173","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C66 H56 B2 Cu2 F8 N8 P2 -","- C66 H56 B Cu2 F4 N8 P2 -","- C528 H448 B8 Cu16 F32 N64 P16 -","8","","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.2079","0.0949","","","0.245","0.2938","","","","","","0.691","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214564","25.4343","0.0005","39.7572","0.0008","17.0847","0.0003","90","","125.4","0.002","90","","14082.1","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 B2 Cu2 F8 N8 P2 -","- C66 H56 B2 Cu2 F8 N8 P2 -","- C528 H448 B16 Cu16 F64 N64 P16 -","8","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","1.54178","CuKα","","0.077","0.0661","","","0.2058","0.2197","","","","","","1.01","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214565","18.3877","0.0007","22.2348","0.0008","13.2146","0.0005","90","","93.58","0.003","90","","5392.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H43 N7 Ni3 O17 -","- C44 H43 N7 Ni3 O17 -","- C176 H172 N28 Ni12 O68 -","4","0.5","","Hou, Duan-Chuan; Jiang, Gui-Yuan; Fu, Hong-Ru; Zhao, Zhen; Zhang, Jian","A microporous nickel‒organic framework with an unusual 10-connected bct net and high capacity for CO2, H2 and hydrocarbons","CrystEngComm","2013","15","45","9499","","10.1039/c3ce40548f","","","0.71073","MoKα","","0.11","0.0759","","","0.2259","0.239","","","","","","1.424","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214566","10.4873","0.0015","13.908","0.002","17.158","0.003","67.376","0.005","89.533","0.005","81.192","0.005","2279.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H49 Cl Cu2 N4 O14 -","- C48 H49 Cl Cu2 N4 O14 -","- C96 H98 Cl2 Cu4 N8 O28 -","2","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.0849","0.0444","","","0.0911","0.1098","","","","","","1.009","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214567","10.973","0.002","14.052","0.003","17.507","0.004","111.32","0.002","95.487","0.002","103.616","0.003","2394.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H61 Cl Cu2 N4 O14 -","- C48 H61 Cl Cu2 N4 O14 -","- C96 H122 Cl2 Cu4 N8 O28 -","2","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.1031","0.0533","","","0.123","0.1476","","","","","","1.01","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214568","13.8039","0.0007","44.74","0.002","15.9315","0.0007","90","","120.633","0.003","90","","8466","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 Cl2 Cu4 N8 O28 -","- C80 H98 Cl2 Cu4 N8 O28 -","- C320 H392 Cl8 Cu16 N32 O112 -","4","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.0962","0.0513","","","0.1115","0.1282","","","","","","1.045","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214569","16.063","0.0008","16.485","0.0009","19.025","0.0008","90","","90","","90","","5037.8","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H24 I2 In4 N6 O27 -","- C42 H18 I2 In4 N6 O27 -","- C168 H72 I8 In16 N24 O108 -","4","0.5","","He, Yuan-Chun; Kan, Wei-Qiu; Guo, Jiao; Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","Iodine-templated assembly of an In(iii) complex with a single-crystal-to-single-crystal transition","CrystEngComm","2013","15","37","7406","","10.1039/c3ce41337c","","","0.71069","MoKα","","0.0863","0.069","","","0.1732","0.1868","","","","","","1.082","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214570","7.9561","0.0001","7.9561","0.0001","8.2785","0.0003","90","","90","","90","","524.03","0.02","296","0.2","296","0.2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.125","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.71073","MoKα","","0.0739","0.0286","","","0.0535","0.059","","","","","","0.821","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214571","7.9005","0.0011","7.9005","0.0011","8.1982","0.0016","90","","90","","90","","511.71","0.14","120","0.2","120","0.2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.71073","MoKα","","0.0322","0.0175","","","0.0469","0.0483","","","","","","1.02","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7214572","7.994","0.0011","7.994","0.0011","8.275","0.0017","90","","90","","90","","528.81","0.15","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.125","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.8292","neutron","","0.0656","0.0337","","","0.076","0.0865","","","","","","1.001","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214573","7.869","0.0011","7.869","0.0011","8.248","0.0016","90","","90","","90","","510.73","0.14","20","2","20","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.832","neutron","","0.0554","0.0416","","","0.0857","0.0935","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7214574","11.2134","0.0006","7.7976","0.0004","16.128","0.0007","90","","103.26","0.005","90","","1372.6","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfacetamide-acetamide","Sulfacetamide-acetamide 1:1","","- C10 H15 N3 O4 S -","- C10 H15 N3 O4 S -","- C40 H60 N12 O16 S4 -","4","1","","Goud, N. Rajesh; Nangia, Ashwini","Synthon polymorphs of sulfacetamide‒acetamide cocrystal based on N‒H⋯OS and N‒H⋯OC hydrogen bonding","CrystEngComm","2013","15","37","7456","","10.1039/c3ce41179f","","","0.71073","MoKα","","0.0806","0.0511","","","0.1111","0.1287","","","","","","1.017","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214575","22.2392","0.0016","8.4705","0.0004","14.771","0.0011","90","","107.056","0.008","90","","2660.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sulfacetamide-acetamide","Sulfacetamide-acetamide 1:1","","- C10 H15 N3 O4 S -","- C10 H15 N3 O4 S -","- C80 H120 N24 O32 S8 -","8","1","","Goud, N. Rajesh; Nangia, Ashwini","Synthon polymorphs of sulfacetamide‒acetamide cocrystal based on N‒H⋯OS and N‒H⋯OC hydrogen bonding","CrystEngComm","2013","15","37","7456","","10.1039/c3ce41179f","","","0.71073","MoKα","","0.0633","0.0462","","","0.1079","0.1203","","","","","","1.048","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214576","18.928","0.005","14.293","0.005","15.24","0.005","90","","108.95","0.005","90","","3900","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H80 Cl10 Co4 N16 O6 P2 -","- C56 H80 Cl10 Co4 N16 O6 P2 -","- C112 H160 Cl20 Co8 N32 O12 P4 -","2","0.25","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0637","0.0487","","","0.1174","0.1295","","","","","","1.021","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214577","18.985","0.005","14.238","0.005","15.264","0.005","90","","109.48","0.005","90","","3890","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H80 Cl10 N16 O6 P2 Zn4 -","- C56 H80 Cl10 N16 O6 P2 Zn4 -","- C112 H160 Cl20 N32 O12 P4 Zn8 -","2","0.25","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71073","MoKα","","0.0269","0.0248","","","0.0622","0.0634","","","","","","1.092","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214578","12.271","0.005","13.575","0.005","14.049","0.005","87.852","0.005","70.724","0.005","71.366","0.005","2087.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cl8 Co2 N6 O6 P2 -","- C24 H48 Cl8 Co2 N6 O6 P2 -","- C48 H96 Cl16 Co4 N12 O12 P4 -","2","1","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0503","0.0421","","","0.0965","0.0999","","","","","","1.068","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214579","12.267","0.005","13.569","0.005","14.029","0.005","87.78","0.005","70.635","0.005","71.328","0.005","2081.1","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cl8 N6 O6 P2 Zn2 -","- C24 H48 Cl8 N6 O6 P2 Zn2 -","- C48 H96 Cl16 N12 O12 P4 Zn4 -","2","1","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0325","0.0262","","","0.062","0.0646","","","","","","1.058","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214580","8.5377","0.0011","13.1086","0.0017","14.4617","0.0018","90","","90","","90","","1618.5","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C40 H64 Cl8 N8 Ni4 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0372","0.029","","","0.0496","0.0524","","","","","","0.901","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214581","8.5078","0.0008","13.3811","0.0012","14.3894","0.0013","90","","90","","90","","1638.1","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C40 H64 Cl8 Co4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0264","0.0206","","","0.0369","0.038","","","","","","0.985","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214582","8.481","0.0006","13.4884","0.0009","14.3386","0.0011","90","","90","","90","","1640.3","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C40 H64 Cl8 Fe4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0431","0.0366","","","0.0732","0.0761","","","","","","1.033","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214583","3.7767","0.0017","9.284","0.004","10.824","0.005","78.814","0.007","82.416","0.008","82.514","0.007","366.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H4 Cd0.5 Cl N2 Se -","- C6 H4 Cd0.5 Cl N2 Se -","- C12 H8 Cd Cl2 N4 Se2 -","2","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.1061","0.06","","","0.1273","0.1481","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214584","3.7203","0.001","9.278","0.002","10.769","0.003","80.055","0.004","81.254","0.004","83.353","0.004","360.34","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 Mn N4 Se2 -","- C12 H8 Cl2 Mn N4 Se2 -","- C12 H8 Cl2 Mn N4 Se2 -","1","0.5","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0311","0.0254","","","0.0595","0.0618","","","","","","1.086","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7214585","24.46","0.004","9.9842","0.0014","23.479","0.003","90","","110.705","0.003","90","","5363.6","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H42 Mn2 N8 O11 -","- C65 H42 Mn2 N8 O11 -","- C260 H168 Mn8 N32 O44 -","4","0.5","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0602","0.0441","","","0.1279","0.1355","","","","","","1.073","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214586","11.0612","0.0016","15.0262","0.0017","16.7833","0.0016","90","","95.491","0.001","90","","2776.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 N2 O10 Zn2 -","- C27 H15 N2 O10 Zn2 -","- C108 H60 N8 O40 Zn8 -","4","1","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0397","0.0317","","","0.0816","0.0846","","","","","","1.039","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214587","11.0632","0.0006","15.0159","0.0008","16.7772","0.0009","90","","95.394","0.001","90","","2774.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N3 O10 Zn2 -","- C32 H20 N3 O10 Zn2 -","- C128 H80 N12 O40 Zn8 -","4","1","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0378","0.0312","","","0.0862","0.0887","","","","","","1.078","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214588","8.373","0.0001","9.072","0.0002","12.65","0.0003","95.47","0.001","96.202","0.001","110.315","0.001","886.71","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C23.5 H20 O3 -","- C23.5 H20 O3 -","- C47 H40 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0422","0.036","","","0.0934","0.0967","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214589","8.3498","0.0002","9.0863","0.0002","12.6308","0.0003","95.767","0.001","96.368","0.001","110.027","0.002","884.89","0.04","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18.5 Cl0.5 O3 -","- C23 H18.5 Cl0.5 O3 -","- C46 H37 Cl O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0501","0.0378","","","0.0893","0.0957","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214590","8.367","0.0003","9.1032","0.0003","12.6727","0.0005","95.847","0.001","96.491","0.001","110.005","0.002","890.91","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18.5 Cl0.5 O3 -","- C23 H16 Cl0.5 O3 -","- C46 H32 Cl O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0961","0.0456","","","0.1035","0.1211","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214591","8.3704","0.0003","9.0991","0.0004","12.6749","0.0006","95.811","0.001","96.459","0.001","110.021","0.003","891.11","0.07","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.09 H18.78 Cl0.41 O3 -","- C23.1 H16 Cl0.4 O3 -","- C46.2 H32 Cl0.8 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.1128","0.0504","","","0.1124","0.1328","","","","","","1.024","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214592","8.3923","0.0003","9.0879","0.0004","12.7002","0.0007","95.557","0.002","96.234","0.002","110.261","0.003","893.88","0.07","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C23.5 H20 O3 -","- C23.5 H16 O3 -","- C47 H32 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.1452","0.0495","","","0.0951","0.1184","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214593","10.825","0.003","28.608","0.002","24.372","0.0012","90","","93.639","0.005","90","","7532","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H83 Co6 N7 O33 -","- C40 H26 Co6 O26 -","- C160 H104 Co24 O104 -","4","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.1382","0.1243","","","0.3321","0.3492","","","","","","1.142","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214594","10.806","0.003","28.554","0.0014","24.329","0.0015","90","","93.658","0.005","90","","7492","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H83 Co6 N7 O33 -","- C40 H20 Co6 O26 -","- C160 H80 Co24 O104 -","4","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.1497","0.1299","","","0.3308","0.3457","","","","","","1.289","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214595","28.764","0.004","21.682","0.003","10.933","0.0014","90","","90","","90","","6818.5","1.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C29 H34 Co3 N3 O15 -","- C23 H20 Co3 N O13 -","- C184 H160 Co24 N8 O104 -","8","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.0794","0.047","","","0.0995","0.1081","","","","","","1.036","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214596","6.47","0.0006","10.5728","0.0009","11.0821","0.0009","76.8","0.007","84.592","0.007","73.686","0.008","707.97","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 Ni S4 -","- C30 H28 N2 Ni S4 -","- C30 H28 N2 Ni S4 -","1","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1087","0.063","","","0.1369","0.1504","","","","","","0.996","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214597","6.545","0.002","10.393","0.004","11.114","0.005","75.24","0.04","74.79","0.03","78.01","0.03","697.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N4 Ni S4 -","- C24 H34 N4 Ni S4 -","- C24 H34 N4 Ni S4 -","1","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.227","0.1048","","","0.2105","0.277","","","","","","0.917","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214598","14.0619","0.0007","14.3634","0.0006","19.3287","0.001","90","","91.009","0.005","90","","3903.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 N4 Ni O4 S6 -","- C30 H48 Cl2 N4 Ni O4 S6 -","- C120 H192 Cl8 N16 Ni4 O16 S24 -","4","1","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1384","0.0698","","","0.1499","0.1895","","","","","","0.916","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214599","7.9767","0.0008","19.507","0.002","15.317","0.002","90","","91.905","0.009","90","","2382","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 Cl2 N4 Ni O4 S6 -","- C38 H64 Cl2 N4 Ni O4 S6 -","- C76 H128 Cl4 N8 Ni2 O8 S12 -","2","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1596","0.0735","","","0.1116","0.1452","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214600","15.7634","0.0014","9.4746","0.0009","24.016","0.004","90","","97.142","0.009","90","","3559","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H112 Cl2 N4 Ni O4 S6 -","- C62 H112 Cl2 N4 Ni O4 S6 -","- C124 H224 Cl4 N8 Ni2 O8 S12 -","2","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1854","0.0828","","","0.154","0.1999","","","","","","0.898","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214601","7.117","0.007","10.007","0.008","16.788","0.016","73.45","0.04","85.81","0.04","74.91","0.04","1106.6","1.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","2","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","0.71075","MoKα","","0.138","0.1009","","","0.273","0.2949","","","","","","1.08","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214602","7.516","0.001","15.318","0.001","11.199","0.001","90","","114.615","0.002","90","","1172.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","1.54184","CuKα","","0.0661","0.0607","","","0.152","0.1581","","","","","","1.093","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214603","21.216","0.001","21.216","","17.221","0.001","90","","90","","120","","6713","0.5","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C306 H324 N36 O18 -","18","1","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","1.54184","CuKα","","0.0687","0.0624","","","0.1459","0.1504","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214604","14.9927","0.0004","24.6112","0.0005","30.667","0.0006","90","","90","","90","","11315.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[[{Mn(C6N4H18)(C6N4H20)}{Mn(C6N4H18)}4V15Ge6O48(0.5H2O)]*(C6N4H18)*2H2O","","","- C36 H115 Ge6 Mn5 N24 O50.5 V15 -","- C36 H110 Ge6 Mn5 N24 O50.5 V15 -","- C144 H440 Ge24 Mn20 N96 O202 V60 -","4","1","","Wang, Jing; Näther, Christian; Speldrich, Manfred; Kögerler, Paul; Bensch, Wolfgang","Chain and layer networks of germanato-polyoxovanadates","CrystEngComm","2013","15","47","10238","","10.1039/c3ce41512k","","","0.71073","MoKα","","0.0794","0.0667","","","0.1427","0.1493","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214605","26.9906","0.0004","14.7778","0.0003","24.9887","0.0004","90","","91.573","0.001","90","","9963.3","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H118 Ge6 N24 Ni4 O51 V15 -","- C36 H104 Ge6 N24 Ni4 O51 V15 -","- C144 H416 Ge24 N96 Ni16 O204 V60 -","4","0.5","","Wang, Jing; Näther, Christian; Speldrich, Manfred; Kögerler, Paul; Bensch, Wolfgang","Chain and layer networks of germanato-polyoxovanadates","CrystEngComm","2013","15","47","10238","","10.1039/c3ce41512k","","","0.71073","MoKα","","0.0619","0.0566","","","0.1387","0.1425","","","","","","1.115","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214606","12.418","0.003","16.869","0.003","20.201","0.004","101.395","0.004","101.351","0.004","96.407","0.004","4017","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H160 Cl10 N32 O20 Pd5 -","- C138 H160 Cl10 N32 O20 Pd5 -","- C138 H160 Cl10 N32 O20 Pd5 -","1","0.5","","Ma, Chunhua; Wang, Jintao; Zhao, Lin; Shi, Yueqin; Luo, Wenping; Yan, Yawkai; Fang, Min; Wang, Xiujian; Liu, Hong-Ke","(M3L4 + M2L4): a unique example of a co-crystal containing M3L4 and M2L4 metallocages","CrystEngComm","2013","15","47","10311","","10.1039/c3ce40928g","","","0.71073","MoKα","","0.155","0.0724","","","0.1932","0.249","","","","","","0.935","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214607","12.5497","0.0012","21.783","0.002","17.7472","0.0016","90","","97.507","0.002","90","","4810","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C192 H Mn12 N8 O88 -","- C192 H168 Mn12 N8 O88 -","- C192 H168 Mn12 N8 O88 -","1","0.25","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.2123","0.0692","","","0.1491","0.2293","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214608","5.8403","0.0007","13.6345","0.0015","13.9084","0.0016","109.15","0.002","98.89","0.002","99.218","0.002","1006.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 Mn O20 -","- C42 H34 Mn O20 -","- C42 H34 Mn O20 -","1","0.5","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0899","0.048","","","0.1173","0.171","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214609","16.579","","9.446","","27.37","","90","","102.71","","90","","4181.25","","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 Mn6 O48 -","- C84 H76 Mn6 O46 -","- C168 H152 Mn12 O92 -","2","0.25","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0718","0.05","","","0.1356","0.1571","","","","","","1.001","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214610","13.134","0.003","13.102","0.003","25.336","0.005","90","","93.935","0.004","90","","4349.6","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Mn2.5 O18 -","- C43 H28 Mn2.5 O18 -","- C172 H112 Mn10 O72 -","4","1","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0708","0.0708","","","0.2185","0.2185","","","","","","1.021","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214611","17.438","","11.119","","18.114","","90","","115.64","","90","","3166.34","","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Mn1.5 N2 O13 -","- C29 H31 Mn1.5 N2 O13 -","- C116 H124 Mn6 N8 O52 -","4","1","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0756","0.0635","","","0.2192","0.2399","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214612","27.565","0.003","21.395","0.003","9.3865","0.001","90","","106.317","0.003","90","","5312.8","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C192 H Mn12 N8 O80 -","- C192 H160 Mn12 N8 O80 -","- C192 H160 Mn12 N8 O80 -","1","0.125","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1251","0.0583","","","0.1325","0.1462","","","","","","0.998","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214613","27.579","","21.701","","9.515","","90","","106.34","","90","","5464.64","","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H44 Mn3 N2 O20 -","- C50 H44 Mn3 N2 O20 -","- C200 H176 Mn12 N8 O80 -","4","0.5","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1665","0.0842","","","0.241","0.2986","","","","","","1.003","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214614","27.752","0.004","21.889","0.003","9.5237","0.0013","90","","107.685","0.003","90","","5511.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H Mn12 N8 O80 -","- C208 H176 Mn12 N8 O80 -","- C208 H176 Mn12 N8 O80 -","1","0.125","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1209","0.0616","","","0.134","0.1484","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214615","21.701","0.004","23.071","0.005","23.286","0.005","63.91","0.03","68.86","0.03","64.94","0.03","9264","4","258","2","258","2","","","","","","","","5","P 1","P 1","1","","","","- C296 H374 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","1","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","1.54178","CuKα","","0.0598","0.0542","","","0.1388","0.1439","","","","","","1","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214616","22.945","0.005","31.803","0.006","32.955","0.007","90","","90","","90","","24048","9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C200 H188 N4 O42 Zn8 -","- C200 H188 N4 O42 Zn8 -","- C800 H752 N16 O168 Zn32 -","4","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","0.9","synchrotron","","0.1115","0.0788","","","0.1906","0.2107","","","","","","0.993","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214617","5.159","0.003","18.175","0.006","12.684","0.004","90","","93.77","0.03","90","","1186.7","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","R-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","<i>R</i>-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","2","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1255","0.0695","","","0.1523","0.1791","","","","","","1.033","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214618","9.586","0.003","10.369","0.005","12.306","0.008","90","","90","","90","","1223.2","1.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1442","0.0701","","","0.1347","0.1613","","","","","","1.044","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214619","5.19","0.003","18.133","0.006","12.562","0.004","90","","93.79","0.03","90","","1179.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rac-N'-3-methylcyclopentylidene-4-hydroxybenzohydrazide","rac-N'-3-methylcyclopentylidene-4- hydroxybenzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1463","0.077","","","0.1366","0.1604","","","","","","1.107","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214620","11.144","0.0002","11.45","0.0002","14.8721","0.0003","90","","92.6884","0.0011","90","","1895.57","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-((2,6-dimethylphenyl)amino)-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","2-[(2,6-dimethylphenyl)amino]-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","2","","Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna; Matulková, Irena; Němec, Ivan; Tesařová, Naďa; Němec, Petr","Lidocaine barbiturate: a promising material for second harmonic generation","CrystEngComm","2013","15","17","3275","","10.1039/c3ce00059a","","","0.71073","MoKα","","0.0407","0.0373","","","0.0894","0.0908","","","","","","1.141","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7215129","8.998","0.012","9.624","0.013","13.044","0.018","94.09","0.03","106.38","0.03","91.93","0.03","1079","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C48 H48 F2 N6 O14 -","2","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0693","0.0549","","","0.1769","0.2131","","","","","","1.087","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215130","13.994","0.0017","13.6288","0.0018","22.537","0.003","90","","90","","90","","4298.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C192 H192 F8 N24 O56 -","8","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.1252","0.0592","","","0.1332","0.1709","","","","","","0.995","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215131","9.8768","0.0019","10.2489","0.0019","13.674","0.003","89.319","0.004","74.752","0.004","71.679","0.004","1264","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 F N3 O9 -","- C28 H27 F N3 O9 -","- C56 H54 F2 N6 O18 -","2","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0801","0.0585","","","0.1782","0.23","","","","","","1.079","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215132","9.567","0.0008","8.1152","0.0006","30.906","0.003","90","","92.476","0.002","90","","2397.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 F N4 O8 -","- C24 H27 F N4 O8 -","- C96 H108 F4 N16 O32 -","4","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.063","0.0472","","","0.1507","0.1659","","","","","","1.102","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215133","9.964","0.003","14.76","0.004","18.275","0.005","90","","90.283","0.005","90","","2687.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 F2 N8 O21 -","- C48 H64 F2 N8 O21 -","- C96 H128 F4 N16 O42 -","2","0.5","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0952","0.0797","","","0.2345","0.2475","","","","","","1.039","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215134","13.2068","0.0019","13.2068","0.0019","14.76","0.003","90","","90","","120","","2229.5","0.6","153","2","153","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B45 K21 O90 Yb8 -","- B45 K21 O90 Yb8.031 -","- B45 K21 O90 Yb8.031 -","1","0.0555556","","Feng, Kai; Yin, Wenlong; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","A novel UV nonlinear optical crystal material: K21Yb8B45O90","CrystEngComm","2013","15","25","5064","","10.1039/c3ce40545a","","","0.71073","MoKα","","0.0191","0.0173","","","0.0412","0.0415","","","","","","0.953","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215135","14.5329","0.0007","13.9697","0.0007","25.1208","0.0018","90","","97.713","0.007","90","","5053.9","0.5","200","","200","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C60 H116 Cl4 N O44 Ru4 V10 -","- C60 H116 Cl4 N O44 Ru4 V10 -","- C120 H232 Cl8 N2 O88 Ru8 V20 -","2","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.6988","","","","0.0708","","","","0.199","","","","","","0.864","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215136","39.7827","0.001","13.3368","0.0003","12.0345","0.0002","90","","90","","90","","6385.2","0.2","93","","93","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H78 Cl4 Mo6 N O27 Ru2 -","- C39 H18 Cl4 Mo6 N O27 Ru2 -","- C156 H72 Cl16 Mo24 N4 O108 Ru8 -","4","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.71075","MoKα","","","0.0415","","","","0.108","","","","","","1.057","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215137","37.856","0.005","14.1562","0.0015","28.44","0.004","90","","131.399","0.002","90","","11433","3","113","","113","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H132 Cl4 Mo12 N O56 P Ru4 -","- C68 H132 Cl4 Mo12 N O56 P Ru4 -","- C272 H528 Cl16 Mo48 N4 O224 P4 Ru16 -","4","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.7107","MoKα","","","0.0814","","","","0.1874","","","","","","1.106","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215138","4.2457","0.0004","4.2457","0.0004","17.449","0.003","90","","90","","120","","272.4","0.06","744","2","744","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0621","0.0348","","","0.0373","0.0396","","","","1.69","1.69","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215139","4.2418","0.0004","4.2418","0.0004","17.445","0.004","90","","90","","120","","271.83","0.07","692","2","692","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0582","0.0353","","","0.0373","0.039","","","","1.65","1.65","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215140","4.2257","0.0002","4.2257","0.0002","17.281","0.002","90","","90","","120","","267.24","0.04","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","","0.56085","AgKα","","0.0558","0.035","","","0.0399","0.0417","","","","1.91","1.91","1.63","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215141","4.2257","0.0002","4.2257","0.0002","17.2809","0.0018","90","","90","","120","","267.24","0.03","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge1.876 Sb2.039 Te5 -","- Ge1.86 Sb2.04 Te5 -","- Ge1.86 Sb2.04 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0371","0.0275","","","0.0324","0.0334","","","","1.43","1.43","1.28","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215142","4.2374","0.0002","4.2374","0.0002","17.3459","0.0018","90","","90","","120","","269.73","0.03","486","2","486","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge1.999 Sb2.001 Te5 -","- Ge1.999 Sb2.001 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0446","0.0298","","","0.0346","0.0359","","","","1.55","1.55","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215143","4.2434","0.0003","4.2434","0.0003","17.389","0.002","90","","90","","120","","271.16","0.04","589","2","589","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0567","0.036","","","0.0383","0.0401","","","","1.7","1.7","1.37","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215144","10.7437","0.0014","11.9023","0.0015","12.0615","0.0016","90.789","0.002","108.826","0.002","110.71","0.002","1351.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Br4 Cd N6 O5 -","- C23 H14 Br4 Cd N6 O5 -","- C46 H28 Br8 Cd2 N12 O10 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.0483","0.0332","","","0.0697","0.0756","","","","","","1.003","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215145","12.5908","0.0013","12.7757","0.0014","13.737","0.0015","86.559","0.002","80.567","0.002","72.878","0.002","2083","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Br8 Cd N6 O10 -","- C33 H22 Br8 Cd N6 O10 -","- C66 H44 Br16 Cd2 N12 O20 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.0674","0.0382","","","0.0791","0.0889","","","","","","0.995","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215146","13.5703","0.001","14.408","0.0011","19.4879","0.0015","93.937","0.001","109.856","0.001","93.505","0.001","3560.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Br8 Cd2 N12 O9 -","- C46 H26 Br8 Cd2 N12 O9 -","- C92 H52 Br16 Cd4 N24 O18 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.092","0.0597","","","0.1568","0.1715","","","","","","0.959","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215147","13.6363","0.0011","16.8584","0.0015","8.226","0.0009","90","","99.159","0.001","90","","1866.9","0.3","145","13","145","13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 N3 O13 Zn2 -","- C37 H37 N3 O13 Zn2 -","- C74 H74 N6 O26 Zn4 -","2","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.059","0.0422","","","0.0922","0.1032","","","","","","1.067","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215148","13.9411","0.0008","17.0817","0.0012","7.668","0.0018","90","","91.974","0.009","90","","1825","0.5","121.4","0.1","121.4","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 Cd2 N3 O13 -","- C37 H37 Cd2 N3 O13 -","- C74 H74 Cd4 N6 O26 -","2","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1512","0.081","","","0.2001","0.2618","","","","","","1.053","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215149","15.1064","0.0014","13.6928","0.0012","22.126","0.002","90","","90","","90","","4576.7","0.7","121.4","0.1","121.4","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O6 Zn -","- C27 H18 N2 O6 Zn -","- C216 H144 N16 O48 Zn8 -","8","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.075","0.0482","","","0.0968","0.1112","","","","","","1.035","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215150","7.3348","0.0005","18.9816","0.0016","33.871","0.003","90","","90","","90","","4715.7","0.7","125","6","125","6","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H42 N4 O13 Zn2 -","- C54 H42 N4 O13 Zn2 -","- C216 H168 N16 O52 Zn8 -","4","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.0904","0.0644","","","0.1173","0.1297","","","","","","1.08","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215151","10.2647","0.0011","13.926","0.0014","29.09","0.003","90","","99.377","0.001","90","","4102.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cd2 N2 O16 -","- C42 H34 Cd2 N2 O16 -","- C168 H136 Cd8 N8 O64 -","4","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.71073","MoKα","","0.1925","0.0728","","","0.1312","0.1652","","","","","","0.888","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215152","10.1479","0.0012","13.8385","0.0015","28.596","0.002","90","","100.104","0.001","90","","3953.5","0.7","121.2","0.14","121.2","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cd2 N2 O16 -","- C42 H36 Cd2 N2 O16 -","- C168 H144 Cd8 N8 O64 -","4","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1347","0.0812","","","0.1943","0.2431","","","","","","1.073","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215153","19.507","0.002","12.5344","0.0009","11.6931","0.0014","90","","115.375","0.01","90","","2583.2","0.5","121.5","0.14","121.5","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N3 O10 Zn -","- C27 H23 N3 O10 Zn -","- C108 H92 N12 O40 Zn4 -","4","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1437","0.079","","","0.169","0.2139","","","","","","1.083","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215154","9.378","0.002","12.245","0.003","13.488","0.003","90","","92.744","0.003","90","","1547.1","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl0 N7 O3 V -","- C13 H14 N7 O3 V -","- C52 H56 N28 O12 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0487","0.0425","","","0.1251","0.1293","","","","","","1.081","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215155","13.447","0.003","8.7943","0.0018","22.021","0.004","90","","105.599","0.003","90","","2508.2","0.9","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N10 O S2 V -","- C19 H24 N10 O S2 V -","- C76 H96 N40 O4 S8 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0946","0.0538","","","0.1201","0.1401","","","","","","1.023","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215156","9.3562","0.001","11.9681","0.0012","11.9868","0.0012","60.215","0.002","84.303","0.002","81.998","0.002","1152.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N16 O14 V2 -","- C40 H52 N16 O14 V2 -","- C40 H52 N16 O14 V2 -","1","0.5","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0737","0.0507","","","0.124","0.1332","","","","","","1.014","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215157","8.009","0.0017","12.111","0.003","18.06","0.004","90","","92.664","0.003","90","","1749.9","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N5 O7 S V -","- C13 H17 N5 O7 S V -","- C52 H68 N20 O28 S4 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0928","0.0531","","","0.1315","0.1535","","","","","","1.021","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215158","12.26","0.002","8.0264","0.0015","19.192","0.004","90","","102.58","0.002","90","","1843.2","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N5 O6 S V -","- C15 H19 N5 O6 S V -","- C60 H76 N20 O24 S4 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0564","0.0442","","","0.1167","0.1234","","","","","","1.066","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215159","15.139","0.004","4.0242","0.0007","20.829","0.005","90","","90.99","0.02","90","","1268.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br4 Hg N6 O2 -","- C22 H16 Br4 Hg N6 O2 -","- C44 H32 Br8 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1037","0.0618","","","0.1583","0.1965","","","","","","0.952","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215160","14.8401","0.0002","3.887","0.0002","20.9156","0.0002","90","","90.532","0.001","90","","1206.43","0.07","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C44 H32 Br4 Cl4 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0566","0.0318","","","0.058","0.0645","","","","","","0.986","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215161","13.5526","0.0008","4.4302","0.0003","22.2992","0.0014","90","","90.631","0.005","90","","1338.78","0.15","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Hg I2 N6 O2 -","- C22 H16 Br2 Hg I2 N6 O2 -","- C44 H32 Br4 Hg2 I4 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0647","0.0466","","","0.102","0.1087","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215162","14.5572","0.0007","7.3163","0.0004","24.0305","0.001","90","","101.012","0.004","90","","2512.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C88 H64 Br8 Cl8 Hg4 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0823","0.0713","","","0.1717","0.1798","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215163","14.906","0.003","3.8968","0.0008","20.955","0.004","90","","90.7","0.03","90","","1217.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 Hg N6 O2 -","- C22 H16 Cl4 Hg N6 O2 -","- C44 H32 Cl8 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0375","0.03","","","0.0808","0.0924","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215164","14.5824","0.0012","7.4123","0.0006","24.848","0.002","90","","102.074","0.007","90","","2626.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl2 Hg I2 N6 O2 -","- C22 H16 Cl2 Hg I2 N6 O2 -","- C88 H64 Cl8 Hg4 I8 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0757","0.0671","","","0.1756","0.1846","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215165","4.1959","0.0013","11.098","0.004","13.238","0.004","105.92","0.03","94.03","0.03","92.17","0.03","590.3","0.3","298","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Br2 F2 Hg N6 O2 -","- C22 H16 Br2 F2 Hg N6 O2 -","- C22 H16 Br2 F2 Hg N6 O2 -","1","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1465","0.1196","","","0.3144","0.3452","","","","","","1.309","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215166","7.4778","0.0014","13.555","0.002","13.597","0.002","119.497","0.012","90.612","0.014","101.727","0.013","1164.6","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cl2 F2 Hg N6 O2 -","- C22 H16 Cl2 F2 Hg N6 O2 -","- C44 H32 Cl4 F4 Hg2 N12 O4 -","2","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1059","0.0739","","","0.1638","0.177","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215167","13.9671","0.0011","7.6637","0.0005","23.921","0.002","90","","101.728","0.007","90","","2507","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F2 Hg I2 N6 O2 -","- C22 H16 F2 Hg I2 N6 O2 -","- C88 H64 F8 Hg4 I8 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0779","0.0499","","","0.1021","0.1125","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215168","7.893","0.003","8.012","0.003","13.861","0.005","101.27","0.03","92.18","0.03","115","0.03","771.9","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 Br2 Hg I N3 O -","- C11 H8 Br2 Hg I N3 O -","- C22 H16 Br4 Hg2 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1388","0.1121","","","0.2849","0.3025","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215169","43.913","0.008","4.098","0.0006","15.368","0.003","90","","104.707","0.013","90","","2674.9","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl2 Hg I2 N6 O2 -","- C22 H16 Cl2 Hg I2 N6 O2 -","- C88 H64 Cl8 Hg4 I8 N24 O8 -","4","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0788","0.0596","","","0.1261","0.1349","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215170","14.3544","0.0009","7.8891","0.0006","14.744","0.0011","90","","99.842","0.005","90","","1645.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Hg I3 N3 O -","- C11 H8 Hg I3 N3 O -","- C44 H32 Hg4 I12 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0694","0.0619","","","0.1592","0.1653","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215171","13.8783","0.0008","13.8783","0.0008","20.2283","0.0015","90","","90","","120","","3374.1","0.4","220","","220","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0617","0.0479","","","0.0873","0.0914","","","","","","1.151","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215172","13.9053","0.0013","13.9053","0.0013","20.333","0.003","90","","90","","120","","3404.8","0.7","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0434","0.0287","","","0.0664","0.0736","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215173","13.8636","0.0003","13.8636","0.0004","20.1758","0.0004","90","","90","","120","","3358.25","0.14","140","","140","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0638","0.0562","","","0.1132","0.1163","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215174","13.8771","0.0008","13.8771","0.0008","20.2392","0.0013","90","","90","","120","","3375.4","0.4","230","","230","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0592","0.047","","","0.0964","0.1014","","","","","","1.168","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215175","13.8749","0.001","13.8749","0.001","20.2458","0.0014","90","","90","","120","","3375.4","0.4","245","","245","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0707","0.0515","","","0.1101","0.1189","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215176","9.694","0.005","24.806","0.001","15.879","0.0007","90","","90","","90","","3818","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co3 N2 O17 -","- C36 H34 Co3 N2 O17 -","- C144 H136 Co12 N8 O68 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0422","0.0348","","","0.0879","0.0935","","","","","","1.063","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215177","9.678","0.0004","24.873","0.0012","15.827","0.0008","90","","90","","90","","3809.9","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 N2 O17 Zn3 -","- C36 H34 N2 O17 Zn3 -","- C144 H136 N8 O68 Zn12 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0406","0.0317","","","0.0753","0.0799","","","","","","1.08","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215178","13.444","0.0005","8.406","0.0004","23.783","0.0007","90","","93.752","0.003","90","","2681.96","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Co3 N6 O16 -","- C56 H48 Co3 N6 O16 -","- C112 H96 Co6 N12 O32 -","2","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0615","0.0441","","","0.0996","0.1098","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215179","9.653","0.0004","13.823","0.0005","15.233","0.0008","81.369","0.004","78.69","0.004","75.595","0.004","1919.45","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 N14 Ni3 O18 -","- C78 H74 N14 Ni3 O18 -","- C78 H74 N14 Ni3 O18 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0877","0.0544","","","0.1319","0.1519","","","","","","1.014","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215180","8.299","0.0004","12.733","0.0007","15.717","0.0007","76.61","0.004","84.891","0.004","86.738","0.004","1608.14","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Co3 N14 O20 -","- C60 H64 Co3 N14 O20 -","- C60 H64 Co3 N14 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0577","0.0417","","","0.0918","0.1013","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215181","8.286","0.0009","12.649","0.0014","15.745","0.0015","76.209","0.009","84.84","0.009","86.847","0.009","1595.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N14 Ni3 O20 -","- C60 H68 N14 Ni3 O20 -","- C60 H68 N14 Ni3 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0731","0.0476","","","0.0828","0.0938","","","","","","1.028","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215182","8.261","0.0005","12.761","0.0007","15.75","0.0011","76.617","0.005","85.085","0.005","86.823","0.005","1608.23","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N14 O20 Zn3 -","- C60 H64 N14 O20 Zn3 -","- C60 H64 N14 O20 Zn3 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0584","0.0407","","","0.0882","0.0972","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215183","8.628","0.0004","11.714","0.0006","16.556","0.0008","78.743","0.004","80.461","0.004","84.379","0.004","1614.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H72 Co3 N10 O20 -","- C64 H68 Co3 N10 O20 -","- C64 H68 Co3 N10 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.05","0.0383","","","0.0931","0.1007","","","","","","1.028","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215184","10.104","0.0006","10.537","0.0008","15.197","0.0009","70.911","0.006","87.456","0.005","87.386","0.006","1526.66","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Co3 N10 O20 -","- C56 H64 Co3 N10 O20 -","- C56 H64 Co3 N10 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0443","0.0341","","","0.0782","0.0844","","","","","","1.05","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215185","16.746","0.0008","7.019","0.0003","18.05","0.0009","90","","116.184","0.006","90","","1903.88","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N Ni O9 -","- C18 H21 N Ni O9 -","- C72 H84 N4 Ni4 O36 -","4","1","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0267","0.0237","","","0.0596","0.0615","","","","","","1.04","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215186","15.4078","0.0008","11.8022","0.0007","18.1893","0.001","90","","109.455","0.006","90","","3118.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ca2 H62 Na6 O72 W12 -","- Ca2 Na6 O72 W12 -","- Ca4 Na12 O144 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0859","0.0502","","","0.0804","0.0918","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215187","15.8131","0.0004","12.3772","0.0003","15.9268","0.0004","90","","101.166","0.002","90","","3058.22","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H54 O68 Sr4 W12 -","- O68 Sr4 W12 -","- O136 Sr8 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0536","0.0335","","","0.0547","0.0558","","","","","","1.126","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215188","11.4169","0.0012","23.762","0.003","12.4588","0.0014","90","","110.587","0.001","90","","3164.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H62 Na2 O72 Sr4 W12 -","- Na2 O72 Sr4 W12 -","- Na4 O144 Sr8 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0663","0.0582","","","0.1507","0.1574","","","","","","1.035","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215189","11.4467","0.0005","23.8573","0.0008","12.462","0.0005","90","","110.458","0.004","90","","3188.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba4 H61 Na2 O71.5 W12 -","- Ba4 Na2 O71.5 W12 -","- Ba8 Na4 O143 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0823","0.0618","","","0.1639","0.1785","","","","","","1.059","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7215190","8.652","0.003","8.652","0.003","12.582","0.004","90","","90","","90","","941.9","0.6","273","2","100","2","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Ge Li10 P2 S12 -","- Ge Li9.992 P2 S12 -","- Ge2 Li19.984 P4 S24 -","2","0.125","","Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V.","Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12.","Physical chemistry chemical physics : PCCP","2013","15","28","11620","11622","10.1039/c3cp51985f","","x-ray","0.71073","MoKα","","0.0514","0.0355","","","0.088","0.1056","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215191","8.719","0.003","8.719","0.003","12.639","0.004","90","","90","","90","","960.8","0.6","273","2","298","2","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Ge Li10 P2 S12 -","- Ge Li10.028 P2 S12 -","- Ge2 Li20.056 P4 S24 -","2","0.125","","Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V.","Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12.","Physical chemistry chemical physics : PCCP","2013","15","28","11620","11622","10.1039/c3cp51985f","","x-ray","0.71073","MoKα","","0.0616","0.0455","","","0.1118","0.1299","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7223831","18.83","","3.88","","7.07","","90","","90","","90","","516.537","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hg2 O (C N)2","","- C2 Hg2 N2 O -","- C2 Hg2 N2 O -","- C8 Hg8 N8 O4 -","4","0.5","","Weiss, A.; Hofmann, G.","Zur Chemie des Quecksilbers XIII. Zur Kenntnis des Quecksilberoxycyanids Hg (C N)2 * Hg O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1960","15","","679","679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223832","4.62","","11.43","","7.15","","90","","90","","90","","377.567","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Hg (Cl O3) (O H)","","- Cl H Hg O4 -","- Cl Hg O4 -","- Cl4 Hg4 O16 -","4","0.5","","Weiss, A.; Lyng, S.","Zur Chemie des Quecksilbers XII. Zur Kenntnis von basischem Quecksilberchlorat und basischem Quecksilberbromat","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1960","15","","678","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223833","4.61","","11.59","","7.24","","90","","90","","90","","386.832","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Hg Br O3 O H","","- Br H Hg O4 -","- Br Hg O4 -","- Br4 Hg4 O16 -","4","0.5","","Weiss, A.; Lyng, S.","Zur Chemie des Quecksilbers XII. Zur Kenntnis von basischem Quecksilberchlorat und basischem Quecksilberbromat","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1960","15","","678","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7228110","8.36","0.01","8.36","0.01","8.36","0.01","90","","90","","90","","584.3","1.2","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Iron diiron(III) oxide","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","El Mendili, Y.; Abdelouas, A.; Bardeau, J.-F.","Insight into the mechanism of carbon steel corrosion under aerobic and anaerobic conditions","Physical Chemistry and Chemical Physics","2013","15","23","9197","9204","10.1039/c3cp50853f","","","","","","","","","","","","","","","","","","","","","has coordinates","199389","2020-10-21","18:00:00",""
"7238825","10.6408","0.0009","16.2706","0.001","7.5669","0.0007","90","","110.783","0.008","90","","1224.83","0.18","290","","290","","","","","","","","","5","A 1 2 1","A 2y","5","4-bromo-4'nitrobenzylidene aniline","4-bromo-4'nitrobenzylidene aniline","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C52 H36 Br4 N8 O8 -","4","1","","Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip","Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure","CrystEngComm","2013","15","13","2474","","10.1039/c3ce26663j","","","0.7","synchrotron","","0.0488","0.0296","","","0.0302","0.0312","","","","1.66","1.66","1.31","","","","has coordinates","244396","2020-10-21","18:00:00",""
"7238826","10.5217","0.001","16.2535","0.0016","7.4403","0.0007","90","","110.709","0.007","90","","1190.2","0.2","","","173","","","","","","","","","5","A 1 2 1","A 2y","5","BNBA","4-bromo-4'nitrobenzylidene aniline","","- C13 H9 Br N2 O2 -","- C6.5 H4.5 Br0.5 N O -","- C26 H18 Br2 N4 O4 -","4","1","","Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip","Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure","CrystEngComm","2013","15","13","2474","","10.1039/c3ce26663j","","","0.71073","MoKα","","0.0718","0.0473","","","0.0448","0.0471","","","","2.01","2.01","1.76","","","","has coordinates","244396","2020-10-21","18:00:00",""
"7238827","24.1322","0.0007","8.2047","0.0003","15.471","0.0005","90","","90","","90","","3063.22","0.17","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C61 H63 F6 N12 Ni2 O12.5 -","- C61 H63 F6 N12 Ni2 O12.5 -","- C122 H126 F12 N24 Ni4 O25 -","2","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.122","0.0613","","","0.123","0.1637","","","","","","1.018","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238828","13.0719","0.0006","15.3456","0.0006","21.2185","0.0009","94.012","0.002","106.478","0.002","106.321","0.002","3864.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H80 N12 Ni3 O27 -","- C74 H80 N12 Ni3 O27 -","- C148 H160 N24 Ni6 O54 -","2","1","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.1691","0.0976","","","0.2334","0.2976","","","","","","0.985","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238829","18.927","0.0008","15.5587","0.0007","15.9579","0.0006","90","","113.848","0.001","90","","4298.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N8 Ni2 O11 -","- C44 H42 N8 Ni2 O11 -","- C176 H168 N32 Ni8 O44 -","4","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.0997","0.0731","","","0.2187","0.2468","","","","","","1.07","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238830","13.5733","0.0005","15.9205","0.0007","20.8014","0.0009","90","","90","","90","","4495.1","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H44 Cd2 N8 O12 -","- C45 H44 Cd2 N8 O12 -","- C180 H176 Cd8 N32 O48 -","4","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.1024","0.0814","","","0.169","0.1761","","","","","","1.401","","","","has coordinates","244397","2020-10-21","18:00:00",""
"7238831","9.7539","0.0015","19.227","0.003","24.684","0.004","90","","90","","90","","4629.2","1.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 N12 Na2 O34 Zn5 -","- C30 H24 N12 Na2 O34 Zn5 -","- C120 H96 N48 Na8 O136 Zn20 -","4","0.5","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0504","0.0448","","","0.1266","0.1303","","","","","","1.043","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238832","10.559","0.003","10.857","0.003","11.426","0.003","108.323","0.004","108.209","0.004","93.566","0.004","1162.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl N6 Na4 O14 -","- C15 H13 Cl N6 Na4 O14 -","- C30 H26 Cl2 N12 Na8 O28 -","2","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.1","0.093","","","0.2139","0.2179","","","","","","1.215","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238833","5.3371","0.0016","10.693","0.003","18.67","0.006","80.696","0.005","84.7","0.005","86.105","0.006","1045.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Mg2 N6 O13 -","- C15 H14 Mg2 N6 O13 -","- C30 H28 Mg4 N12 O26 -","2","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0873","0.0759","","","0.1642","0.1703","","","","","","1.211","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238834","22.799","0.004","10.812","0.002","10.723","0.002","90","","109.793","0.003","90","","2487.1","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cu2 N6 O18 -","- C15 H14 Cu2 N6 O18 -","- C60 H56 Cu8 N24 O72 -","4","0.5","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0554","0.0469","","","0.1191","0.1233","","","","","","1.135","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238835","20.045","0.004","12.656","0.003","21.157","0.004","90","","90.688","0.004","90","","5366.9","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Cu2 N6 O20 -","- C15 H13 Cu2 N6 O20 -","- C120 H104 Cu16 N48 O160 -","8","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.1161","0.1139","","","0.2269","0.2279","","","","","","1.192","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238836","14.005","0.006","10.324","0.004","19.368","0.008","90","","102.13","0.007","90","","2737.9","1.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N6 O21 Zn2 -","- C15 H14 N6 O21 Zn2 -","- C60 H56 N24 O84 Zn8 -","4","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0579","0.049","","","0.1258","0.1313","","","","","","1.121","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238837","10.31","","13.738","","15.829","","67.25","","81.91","","89.77","","2043.88","","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H29 Ag B F4 N3 O10 S3 -","- C30 H27 Ag B F4 N3 O10 S3 -","- C60 H54 Ag2 B2 F8 N6 O20 S6 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0961","0.0756","","","0.1995","0.2115","","","","","","1.013","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238838","11.2552","0.0011","13.6464","0.0014","16.3098","0.0016","110.448","0.002","100.874","0.002","95.504","0.002","2269.2","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H38.5 Ag F6 N3 O11.75 S3 Sb -","- C30 H33 Ag F6 N3 O11.75 S3 Sb -","- C60 H66 Ag2 F12 N6 O23.5 S6 Sb2 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0706","0.0506","","","0.1489","0.1674","","","","","","1.053","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238839","10.6004","0.0012","11.6175","0.0014","12.1474","0.0014","83.729","0.002","83.464","0.002","74.505","0.002","1427.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Ag F3 N3 O10 -","- C28 H15 Ag F3 N3 O10 -","- C56 H30 Ag2 F6 N6 O20 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0542","0.0448","","","0.1293","0.1394","","","","","","1.014","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238840","10.8496","0.0015","12.2389","0.0017","13.0651","0.0018","92.079","0.002","93.681","0.002","92.701","0.002","1728","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Ag Cl3 F3 N3 O10 S2 -","- C28 H21.759 Ag Cl3 F3 N3 O10 S2 -","- C56 H43.518 Ag2 Cl6 F6 N6 O20 S4 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0983","0.0665","","","0.1762","0.2107","","","","","","0.846","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238841","10.099","0.002","16.811","0.003","15.251","0.003","90","","96.81","0.03","90","","2571","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cd N2 O10 -","- C22 H23 Cd N2 O10 -","- C88 H92 Cd4 N8 O40 -","4","1","","Zhang, Xiaoping; Zhou, Jingmin; Shi, Wei; Zhang, Zhenjie; Cheng, Peng","Two cadmium(ii) coordination polymers constructed by carboxylate and pyridine mixed ligands: synthesis, structure and luminescent properties","CrystEngComm","2013","15","45","9738","","10.1039/c3ce41073k","","","0.71073","MoKα","","0.0822","0.0733","","","0.1709","0.1761","","","","","","1.053","","","","has coordinates","244400","2020-10-21","18:00:00",""
"7238842","10.5925","0.001","19.4409","0.0018","23.682","0.002","73.744","0.001","83.661","0.002","89.712","0.002","4651.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H53 Cd6 N9 O29.5 -","- C83 H53 Cd6 N9 O29.25 -","- C166 H106 Cd12 N18 O58.5 -","2","1","","Zhang, Xiaoping; Zhou, Jingmin; Shi, Wei; Zhang, Zhenjie; Cheng, Peng","Two cadmium(ii) coordination polymers constructed by carboxylate and pyridine mixed ligands: synthesis, structure and luminescent properties","CrystEngComm","2013","15","45","9738","","10.1039/c3ce41073k","","","0.71075","MoKα","","0.0916","0.0693","","","0.1858","0.1997","","","","","","1.094","","","","has coordinates,has disorder","244400","2020-10-21","18:00:00",""
"7238843","10.8861","0.0008","10.2944","0.0008","14.3534","0.0008","90","","120.868","0.004","90","","1380.68","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd F2 N2 O4 -","- C12 H6 Cd F2 N2 O4 -","- C48 H24 Cd4 F8 N8 O16 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0366","0.0349","","","0.0921","0.0936","","","","","","1.072","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238844","15.1219","0.0008","9.4338","0.0005","9.0516","0.0005","90","","113.688","0.001","90","","1182.48","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Cd F2 N2 O4 -","- C12 H6 Cd F2 N2 O4 -","- C48 H24 Cd4 F8 N8 O16 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0185","0.018","","","0.0435","0.0439","","","","","","1.094","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238845","13.9287","0.0015","12.7175","0.0014","6.9109","0.0008","90","","95.088","0.002","90","","1219.4","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cd Cl F N2 O3 -","- C9 H10 Cd Cl F N2 O3 -","- C36 H40 Cd4 Cl4 F4 N8 O12 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.021","0.0178","","","0.0405","0.0418","","","","","","1.027","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238846","11.1319","0.0006","9.9512","0.0005","14.2568","0.0006","90","","120.015","0.003","90","","1367.51","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd Cl2 N2 O4 -","- C12 H6 Cd Cl2 N2 O4 -","- C48 H24 Cd4 Cl8 N8 O16 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0233","0.0191","","","0.043","0.0445","","","","","","1.037","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238847","5.6741","0.0014","9.26","0.002","15.044","0.004","90","","104.33","0.008","90","","765.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cd Cl2 N2 O6 -","- C12 H10 Cd Cl2 N2 O6 -","- C24 H20 Cd2 Cl4 N4 O12 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.018","0.0161","","","0.0426","0.0439","","","","","","1.085","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238848","14.1516","0.0006","12.6704","0.0006","7.0376","0.0003","90","","93.615","0.001","90","","1259.38","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cd Cl2 N2 O3 -","- C9 H10 Cd Cl2 N2 O3 -","- C36 H40 Cd4 Cl8 N8 O12 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0223","0.0194","","","0.0434","0.0446","","","","","","1.057","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238849","15.2423","0.0008","17.1026","0.0008","15.0777","0.0007","90","","120.312","0.001","90","","3393.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H12 Cd Cl2 N2 O5.5 -","- C13.5 H7 Cd Cl2 N2 O5.5 -","- C108 H56 Cd8 Cl16 N16 O44 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0408","0.0312","","","0.0786","0.0835","","","","","","1.069","","","","has coordinates,has disorder","244401","2020-10-21","18:00:00",""
"7238850","16.6263","0.0003","12.7971","0.0003","14.4678","0.0003","90","","90","","90","","3078.29","0.11","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H28 B2 Cu2 F8 N4 O12 -","- C17 H24 B2 Cu2 F7.992 N4 O12 -","- C68 H96 B8 Cu8 F31.968 N16 O48 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0639","0.0578","","","0.1562","0.1597","","","","","","1.163","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238851","15.6203","0.0016","11.564","0.002","14.8705","0.0014","90","","90","","90","","2686.1","0.6","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H14 B2 Cu2 F8 N4 O8 -","- C14 H14 B2 Cu2 F8 N4 O8 -","- C56 H56 B8 Cu8 F32 N16 O32 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.1507","0.0784","","","0.2015","0.2428","","","","","","0.97","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238852","12.4176","0.0002","22.5346","0.0003","10.1644","0.0002","90","","107.054","0.002","90","","2719.19","0.08","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H28 Cu3 F6 N4 O14 Si -","- C16 H28 Cu3 F6 N4 O14 Si -","- C64 H112 Cu12 F24 N16 O56 Si4 -","4","1","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0282","0.0266","","","0.0687","0.0699","","","","","","1.056","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238853","7.1674","0.0006","7.5711","0.0008","8.4825","0.0011","109.937","0.011","94.919","0.008","116.156","0.009","372.9","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cu N4 O8 -","- C14 H14 Cu N4 O8 -","- C14 H14 Cu N4 O8 -","1","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0836","0.0818","","","0.3175","0.3181","","","","","","1.331","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238854","12.3883","0.0003","12.3883","0.0003","14.5923","0.0004","90","","90","","90","","2239.48","0.1","130","2","130","2","","","","","","","","8","P -4 2 c","P -4 2c","112","","","","- C28 H42 B Cu2 F4 N8 Na O23 -","- C28 H28 B Cu2 F4 N8 Na O23 -","- C56 H56 B2 Cu4 F8 N16 Na2 O46 -","2","0.25","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0624","0.0569","","","0.1636","0.1715","","","","","","1.073","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238855","20.109","0.0007","20.109","0.0007","20.109","0.0007","90","","90","","90","","8131.5","0.5","293","2","293","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","HHU-1","","","- C18 H18 Co4 N6 O7 -","- C18 H18 Co4 N6 O5.5 -","- C144 H144 Co32 N48 O44 -","8","0.0833333","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.5418","CuKα","","0.0814","0.0723","","","0.2078","0.2203","","","","","","1.157","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238856","20.071","0.003","20.071","0.003","20.071","0.003","90","","90","","90","","8086","2","293","2","293","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","HHU-2","","","- C18 H18 N6 O7 Zn4 -","- C18 H18 N6 O7 Zn4 -","- C144 H144 N48 O56 Zn32 -","8","0.0833333","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.5418","CuKα","","0.0491","0.0376","","","0.0937","0.0998","","","","","","1.001","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238857","14.242","0.003","14.278","0.003","14.332","0.004","90","","90","","90","","2914.4","1.2","95","2","95","2","","","","","","","","5","P 2 2 2","P 2 2","16","HHU-3","","","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","1","0.25","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.54178","CuKα","","0.112","0.0691","","","0.1453","0.1574","","","","","","0.923","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238858","19.063","0.002","19.875","0.002","19.898","0.002","92.131","0.002","112.476","0.002","112.5","0.002","6285.6","1.1","90","2","90","2","","","","","","","","3","P -1","-P 1","2","3H2","","","- C40 H34 O7 -","- C40 H34 O7 -","- C320 H272 O56 -","8","4","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1117","0.0733","","","0.1964","0.2376","","","","","","1.031","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238859","20.9859","0.001","16.4295","0.0008","9.2328","0.0004","90","","114.34","0.001","90","","2900.4","0.2","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3Me2","","","- C38 H30 O6 -","- C38 H30 O6 -","- C152 H120 O24 -","4","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.0481","0.038","","","0.0975","0.1055","","","","","","1.013","","","","has coordinates","244404","2020-10-21","18:00:00",""
"7238860","11.335","0.005","14.854","0.005","15.823","0.005","90","","106.14","0.005","90","","2559.1","1.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5H2","","","- C64 H64 O8 -","- C64 H64 O8 -","- C128 H128 O16 -","2","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71069","MoKα","","0.1442","0.0879","","","0.2333","0.2769","","","","","","1.037","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238861","18.978","0.005","23.17","0.005","23.477","0.005","87.73","0.005","68.378","0.005","68.299","0.005","8861","4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","PMOF-1","","","- C348 H314 N16 O61 Zn8 -","- C348 H304 N16 O61 Zn8 -","- C348 H304 N16 O61 Zn8 -","1","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1332","0.0958","","","0.2697","0.2908","","","","","","1.081","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238862","8.5277","0.0006","16.9942","0.0012","17.4044","0.0012","113.501","0.004","101.299","0.004","95.99","0.004","2221","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","TMOF-3","","","- C47 H52 N4 O9 Zn -","- C47 H51 N4 O9 Zn -","- C94 H102 N8 O18 Zn2 -","2","1","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1064","0.0767","","","0.2123","0.2357","","","","","","1.036","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238863","11.3952","0.0007","16.0546","0.0009","25.1653","0.0016","84.376","0.004","82.666","0.004","78.759","0.004","4465.9","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","TMOF-3-bipy","","","- C223 H174 Cl5 N11 O27 Zn4 -","- C221.668 H174.89 Cl4.778 N11 O27 Zn4 -","- C221.668 H174.89 Cl4.778 N11 O27 Zn4 -","1","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","1.54178","CuKα","","0.0872","0.0798","","","0.22","0.2343","","","","","","1.031","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238864","33.48","0.02","33.48","0.02","105.59","0.07","90","","90","","120","","102500","11","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","TMOF-4","","","- C216 H148 O39 Zn7 -","- C216 H144 O39 Zn7 -","- C2592 H1728 O468 Zn84 -","12","0.333333","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","1.54178","CuKα","","0.1737","0.1166","","","0.3416","0.3755","","","","","","1.266","","","","has coordinates","244404","2020-10-21","18:00:00",""
"7238865","14.7153","0.0013","9.0139","0.0008","16.3787","0.0014","90","","107.313","0.003","90","","2074.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br2 Cd N5 -","- C21 H17 Br2 Cd N5 -","- C84 H68 Br8 Cd4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0694","0.0388","","","0.1037","0.1258","","","","","","0.815","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238866","14.578","0.003","8.8123","0.0016","16.385","0.003","90","","108.323","0.006","90","","1998.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl2 Hg N5 -","- C21 H17 Cl2 Hg N5 -","- C84 H68 Cl8 Hg4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0802","0.043","","","0.1108","0.1294","","","","","","0.817","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238867","14.706","0.002","9.0229","0.0014","16.359","0.003","90","","107.064","0.004","90","","2075.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br2 Hg N5 -","- C21 H17 Br2 Hg N5 -","- C84 H68 Br8 Hg4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0284","0.0218","","","0.0809","0.0868","","","","","","0.732","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238868","14.586","0.005","9.65","0.003","16.442","0.006","90","","105.081","0.011","90","","2234.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Hg I2 N5 -","- C21 H17 Hg I2 N5 -","- C84 H68 Hg4 I8 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0925","0.0403","","","0.1046","0.1303","","","","","","0.792","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238869","10.338","0.014","10.672","0.014","11.641","0.016","69.36","0.04","86.54","0.04","78.69","0.04","1178","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cd I2 N5 O2 -","- C21 H17 Cd I2 N5 O2 -","- C42 H34 Cd2 I4 N10 O4 -","2","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.3896","0.1411","","","0.2649","0.3272","","","","","","0.777","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238870","14.449","0.003","8.2156","0.0014","20.383","0.004","90","","109.156","0.005","90","","2285.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cl6 Cu3 N10 O4 -","- C42 H34 Cl6 Cu3 N10 O4 -","- C84 H68 Cl12 Cu6 N20 O8 -","2","0.5","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.1193","0.0624","","","0.15","0.1834","","","","","","1.057","","","","has coordinates","244405","2020-10-21","18:00:00",""
"9004113","5.801","","12.898","","5.617","","90","","107.42","","90","","400.996","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","Roselite","- As2 Ca2 Co0.515 H4 Mg0.485 O10 -","- As2 Ca2 Co0.515 H4 Mg0.485 O10 -","- As4 Ca4 Co1.03 H8 Mg0.97 O20 -","2","0.5","","Hawthorne, F. C.; Ferguson, R. B.","The crystal structure of roselite","The Canadian Mineralogist","1977","15","","36","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004114","9.8","","9.8","","9.345","","90","","90","","120","","777.252","","","","","","","","","","","","from a burning coal seam in the Bokaro coalfield, India","5","P 6/m c c","-P 6 2c","192","","","Cordierite","- Al3.96 Fe0.64 Mg1.36 O18 Si5.04 -","- Al3.96 Fe0.64 Mg1.36 O18 Si5.04 -","- Al7.92 Fe1.28 Mg2.72 O36 Si10.08 -","2","0.0833333","","Meagher, E. P.; Gibbs, G. V.","The polymorphism of cordierite: II. The crystal structure of indialite","The Canadian Mineralogist","1977","15","","43","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004115","9.8033","","8.9581","","5.3515","","90","","110.281","","90","","440.827","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","LiScSi2O6","- Li O6 Sc Si2 -","- Li O6 Sc Si2 -","- Li4 O24 Sc4 Si8 -","4","0.5","","Hawthorne, F. C.; Grundy, H. D.","Refinement of the crystal structure of LiScSi2O6 and structural variations in alkali pyroxenes","The Canadian Mineralogist","1977","15","","50","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004116","9.606","","18.126","","5.317","","90","","102.63","","90","","903.385","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Manganocummingtonite","- Al0.088 Ca0.28 Fe0.5 H2 Mg3.7 Mn1.599 Na0.21 O24 Si7.872 Zn0.749 -","- Al0.088 Ca0.28 Fe0.5 H2 Mg3.7 Mn1.599 Na0.21 O24 Si7.872 Zn0.749 -","- Al0.176 Ca0.56 Fe H4 Mg7.4 Mn3.198 Na0.42 O48 Si15.744 Zn1.498 -","2","0.25","","Hawthorne, F. C.; Grundy, H. D.","The crystal structure and site-chemistry of a zincian tirodite by least-squares refinement of X-ray and mossbauer data","The Canadian Mineralogist","1977","15","","309","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004117","18.216","","8.813","","5.179","","90","","90","","90","","831.424","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hawthorne, F. C.; Ito, J.","Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene","The Canadian Mineralogist","1977","15","","321","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004118","18.246","","8.839","","5.196","","90","","90","","90","","837.992","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Co0.132 Mg0.781 Mn0.087 O3 Si -","- Co0.1315 Mg0.781 Mn0.0875 O3 Si -","- Co2.104 Mg12.496 Mn1.4 O48 Si16 -","16","2","","Hawthorne, F. C.; Ito, J.","Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene","The Canadian Mineralogist","1977","15","","321","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004119","13.305","","4.042","","16.417","","90","","94.02","","90","","880.715","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","Pavonite","- Ag Bi3 S5 -","- Ag Bi3 S5 -","- Ag4 Bi12 S20 -","4","0.5","","Makovicky, E.; Mumme, W. G.; Watts, J. A.","The crystal structure of synthetic pavonite, AgBi3S5, and the definition of the pavonite homologous series","The Canadian Mineralogist","1977","15","","339","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004120","9.212","","9.212","","9.236","","90","","90","","120","","678.77","","","","","","","","","","","","","11","P 6/m c c","-P 6 2c","192","","","Beryl","- Al2 Be2.613 Ca0.003 Cs0.134 H2 K0.033 Li0.436 Na0.313 O18.66 Rb0.006 Si5.958 -","- Al2 Be2.613 Ca0.003 Cs0.134 H1.32 K0.033 Li0.436 Na0.313 O18.66 Rb0.006 Si5.958 -","- Al4 Be5.226 Ca0.006 Cs0.268 H2.64 K0.066 Li0.872 Na0.626 O37.32 Rb0.012 Si11.916 -","2","0.0833333","","Hawthorne, F. C.; Cerny, P.","The alkali-metal positions in Cs-Li beryl","The Canadian Mineralogist","1977","15","","414","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004121","6.861","","8.987","","5.045","","90","","90","","90","","311.074","","","","","","","","","","","","","7","P m n b","-P 2bc 2a","62","","","Maricite","- Ca0.01 Fe0.9 Mg0.03 Mn0.06 Na O4 P -","- Ca0.01 Fe0.9 Mg0.03 Mn0.06 Na O4 P -","- Ca0.04 Fe3.6 Mg0.12 Mn0.24 Na4 O16 P4 -","4","0.5","","Le Page, Y.; Donnay, G.","The crystal structure of the new mineral maricite, NaFePO4","The Canadian Mineralogist","1977","15","","518","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004122","8.8842","","5.4559","","7.1569","","90","","90","","90","","346.904","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Barite","- Ba O4 S -","- Ba O4 S -","- Ba4 O16 S4 -","4","0.5","","Hill R J","A further refinement of the barite structure","The Canadian Mineralogist","1977","15","","522","526","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9004123","56.115","","11.5695","","4.001","","90","","90","","90","","2597.54","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Lindstromite","- Bi7 Cu3 Pb3 S15 -","- Bi7 Cu3 Pb3 S15 -","- Bi28 Cu12 Pb12 S60 -","4","0.5","","Horiuchi, H.; Wuensch, B. J.","Lindstromite, Cu3Pb3Bi7S15: Its space group and ordering scheme for metal atoms in the crystal structure","The Canadian Mineralogist","1977","15","","527","535","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005565","13.304","","17.876","","5.251","","90","","107.01","","90","","1194.17","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Palygorskite","- H9 Mg2 O15 Si4 -","- H9 Mg2 O15 Si4 -","- H36 Mg8 O60 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: MP","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005566","12.762","","17.882","","5.249","","90","","90","","90","","1197.88","","","","","","","","","","","","","4","P b m n","-P 2ab 2ab","53","","","Palygorskite","- H9 Mg2 O15 Si4 -","- H9 Mg2 O15 Si4 -","- H36 Mg8 O60 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: OP","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005567","13.38","","17.885","","5.25","","90","","106.81","","90","","1202.65","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Maya Blue","- C0.718 H4.28 Mg2 N0.088 O14.568 Si4 -","- C0.718 H7.96 Mg2 N0.088 O14.568 Si4 -","- C2.872 H31.84 Mg8 N0.352 O58.272 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: Mp+indigo","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005568","12.72","","17.886","","5.254","","90","","90","","90","","1195.34","","","","","","","","","","","","","6","P b m n","-P 2ab 2ab","53","","","Maya Blue","- C1.764 H7.92 Mg4 N0.224 O28.174 Si8 -","- C1.764 H13.9 Mg4 N0.224 O28.174 Si8 -","- C3.528 H27.8 Mg8 N0.448 O56.348 Si16 -","2","0.25","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: Op+indigo","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005569","13.41","","17.891","","15.74","","90","","107.06","","90","","3610.15","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Maya Blue","- C2.16 H27 Mg6 N0.27 O45.65 Si12 -","- C2.16 H21.76 Mg6 N0.27 O45.65 Si12 -","- C8.64 H87.04 Mg24 N1.08 O182.6 Si48 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: MP (3 cells+indigo)","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9005570","12.709","","17.896","","15.775","","90","","90","","90","","3587.87","","","","","","","","","","","","","6","P b m n","-P 2ab 2ab","53","","","Maya Blue","- C2.72 H27 Mg6 N0.34 O43.3 Si12 -","- C2.72 H20.92 Mg6 N0.34 O43.3 Si12 -","- C10.88 H83.68 Mg24 N1.36 O173.2 Si48 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: OP (3 cells+indigo)","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9005571","17.852","","5.887","","15.809","","90","","116.165","","90","","1491.19","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Diaphorite","- Ag3.112 Pb1.888 S8 Sb3 -","- Ag3.112 Pb1.888 S8 Sb3 -","- Ag12.448 Pb7.552 S32 Sb12 -","4","1","","Armbruster, T.; Makovicky, E.; Berlepsch, P.; Sejkora, J.","Crystal structure, cation ordering, and polytypic character of diaphorite, Pb2Ag3Sb3S8, a PbS-based structure","European Journal of Mineralogy","2003","15","","137","146","10.1127/0935-1221/2003/0015-0137","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005572","5.082","","4.64","","17.696","","90","","106.13","","90","","400.853","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Sphaerobertrandite","- Be3 H2 O6 Si -","- Be3 H2 O6 Si -","- Be12 H8 O24 Si4 -","4","1","","Pekov, I. V.; Chukanov, N. V.; Larsen, A. O.; Merlino, S.; Pasero, M.; Pushcharovsky, D. Y.; Ivaldi, G.; Zadov, A. E.; Grishin, V. G.; Asheim, A.; Tafto, J.; Chistyakova, N. I.","Sphaerobertrandite, Be3SiO4(OH)2: new data, crystal structure and genesis","European Journal of Mineralogy","2003","15","","157","166","10.1127/0935-1221/2003/0015-0157","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:27",""
"9005573","7.8706","","16.5411","","5.6323","","90","","90.007","","90","","733.26","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Magnesiostaurolite","- Al4.395 Fe0.04 H0.995 Li0.235 Mg0.758 O12 Si1.99 Ti0.01 Zn0.005 -","- Al4.395 Fe0.04 Li0.235 Mg0.7575 O12 Si1.99 Ti0.01 Zn0.005 -","- Al17.58 Fe0.16 Li0.94 Mg3.03 O48 Si7.96 Ti0.04 Zn0.02 -","4","0.5","","Chopin, C.; Goffe, B.; Ungaretti, L.; Oberti, R.","Magnesiostaurolite and zincostaurolite: mineral description with a petrogenetic and crystal-chemical update","European Journal of Mineralogy","2003","15","","167","176","10.1127/0935-1221/2003/0015-0167","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005574","7.853","","16.534","","5.639","","90","","90","","90","","732.176","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Zincostaurolite","- Al4.483 Fe0.082 H0.918 Li0.127 Mg0.047 O12 Si2 Ti0.005 Zn0.613 -","- Al4.4825 Fe0.0825 Li0.1275 Mg0.0475 O12 Si2 Ti0.005 Zn0.6125 -","- Al17.93 Fe0.33 Li0.51 Mg0.19 O48 Si8 Ti0.02 Zn2.45 -","4","0.5","","Chopin, C.; Goffe, B.; Ungaretti, L.; Oberti, R.","Magnesiostaurolite and zincostaurolite: mineral description with a petrogenetic and crystal-chemical update","European Journal of Mineralogy","2003","15","","167","176","10.1127/0935-1221/2003/0015-0167","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005575","7.727","","7.727","","4.648","","90","","90","","90","","277.516","","","","","","","","","","","","","5","I -4","I -4","82","","","Tillmannsite","- Ag3.01 As0.36 Hg0.99 O4 V0.68 -","- Ag3.01 As0.36 Hg0.99 O4 V0.68 -","- Ag6.02 As0.72 Hg1.98 O8 V1.36 -","2","0.25","","Sarp, H.; Pushcharovsky, D. Y.; MacLean, E. J.; Teat, S. J.; Zubkova, N. V.","Tillmannsite, (Ag3Hg)(V,As)O4, a new mineral: its description and crystal structure","European Journal of Mineralogy","2003","15","","177","180","10.1127/0935-1221/2003/0015-0177","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005576","8.607","","4.956","","7.601","","89.98","","114.38","","89.98","","295.318","","","","","","","","100","","","","King's Mountain, North Carolina, USA","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","2","2","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","Effects of pressure on the structure of bikitaite P = 0.0001 GPa","European Journal of Mineralogy","2003","15","","247","255","10.1127/0935-1221/2003/0015-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005577","8.543","","4.852","","7.377","","89.65","","114.74","","90.34","","277.708","","","","","","","","3200000","","","","King's Mountain, North Carolina, USA","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","2","2","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","Effects of pressure on the structure of bikitaite P = 3.2 GPa","European Journal of Mineralogy","2003","15","","247","255","10.1127/0935-1221/2003/0015-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:30",""
"9005578","8.605","","4.957","","7.606","","89.93","","114.4","","89.85","","295.455","","","","","","","","100","","","","King's Mountain, North Carolina, USA","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","2","2","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","Effects of pressure on the structure of bikitaite P = 0.0001 GPa after decompression","European Journal of Mineralogy","2003","15","","247","255","10.1127/0935-1221/2003/0015-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005579","9.1001","","17.7564","","10.238","","90","","124.624","","90","","1361.33","","","","323","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Epistilbite","- Al0.726 Ca0.36 H4 O7.945 Si2.274 -","- Al0.726 Ca0.36 H3.89 O7.945 Si2.274 -","- Al5.808 Ca2.88 H31.12 O63.56 Si18.192 -","8","1","","Cruciani, G.; Martucci, A.; Meneghini, C.","Dehydration dynamics of epistilbite by in situ time resolved synchrotron powder diffraction T = 323 K","European Journal of Mineralogy","2003","15","","257","266","10.1127/0935-1221/2003/0015-0257","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005580","9.1014","","17.7326","","10.2378","","90","","124.607","","90","","1359.95","","","","429","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Epistilbite","- Al0.726 Ca0.375 H4 O7.72 Si2.274 -","- Al0.726 Ca0.375 H3.44 O7.72 Si2.274 -","- Al5.808 Ca3 H27.52 O61.76 Si18.192 -","8","1","","Cruciani, G.; Martucci, A.; Meneghini, C.","Dehydration dynamics of epistilbite by in situ time resolved synchrotron powder diffraction T = 429 K","European Journal of Mineralogy","2003","15","","257","266","10.1127/0935-1221/2003/0015-0257","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005581","9.0935","","17.6912","","10.2094","","90","","124.569","","90","","1352.45","","","","528","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Epistilbite","- Al0.726 Ca0.35 H4 O7.205 Si2.274 -","- Al0.726 Ca0.35 H2.41 O7.205 Si2.274 -","- Al5.808 Ca2.8 H19.28 O57.64 Si18.192 -","8","1","","Cruciani, G.; Martucci, A.; Meneghini, C.","Dehydration dynamics of epistilbite by in situ time resolved synchrotron powder diffraction T = 528 K","European Journal of Mineralogy","2003","15","","257","266","10.1127/0935-1221/2003/0015-0257","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005582","8.845","","16.607","","9.746","","90","","123.19","","90","","1198.03","","","","666","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Epistilbite","- Al2.904 Ca1.94 O24 Si9.096 -","- Al2.904 Ca1.94 O24 Si9.096 -","- Al5.808 Ca3.88 O48 Si18.192 -","2","0.25","","Cruciani, G.; Martucci, A.; Meneghini, C.","Dehydration dynamics of epistilbite by in situ time resolved synchrotron powder diffraction T = 666 K","European Journal of Mineralogy","2003","15","","257","266","10.1127/0935-1221/2003/0015-0257","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005583","13.14","","9.863","","6.024","","90","","103.16","","90","","760.206","","","","","","","","","","","","Val Fucinaia, Tuscany, Italy","4","P 1 21/a 1","-P 2yab","14","","","Brochantite","- Cu4 H6 O10 S -","- Cu4 H6 O10 S -","- Cu16 H24 O40 S4 -","4","1","","Merlino, S.; Perchiazzi, N.; Franco, D.","Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures Sample: MDO_1 polytype","European Journal of Mineralogy","2003","15","","267","275","10.1127/0935-1221/2003/0015-0267","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:33",""
"9005584","12.776","","9.869","","6.026","","90.15","","90","","90","","759.794","","","","","","","","","","","","Capo Calamita, Elba island, Tuscany, Italy","4","P 21/n 1 1","-P 2xn","14","","","Brochantite","- Cu4 H6 O10 S -","- Cu4 H6 O10 S -","- Cu16 H24 O40 S4 -","4","1","","Merlino, S.; Perchiazzi, N.; Franco, D.","Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures Sample: MDO_2 polytype","European Journal of Mineralogy","2003","15","","267","275","10.1127/0935-1221/2003/0015-0267","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:38",""
"9005585","5.309","","5.309","","29.846","","90","","90","","120","","728.521","","","","","","","","","","","","","11","P 31 1 2","P 31 2 (0 0 4)","151","","","Siderophyllite","- Al1.98 F1.36 Fe0.98 H0.3 K0.91 Li0.68 Mg0.03 Mn0.11 Na0.03 O10.64 Si3.11 -","- Al1.7075 F1.36 Fe0.735 K0.91 Li0.51 Mg0.0225 Mn0.0825 Na0.03 O10.64 Si3.11 -","- Al5.1225 F4.08 Fe2.205 K2.73 Li1.53 Mg0.0675 Mn0.2475 Na0.09 O31.92 Si9.33 -","3","0.5","","Brigatti, M. F.; Kile, D. E.; Poppi, L.","Crystal structure and chemistry of lithium-bearing trioctahedral micas-3T Sample: 6-c","European Journal of Mineralogy","2003","15","","349","355","10.1127/0935-1221/2003/0015-0349","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005586","5.305","","5.305","","29.827","","90","","90","","120","","726.961","","","","","","","","","","","","","12","P 31 1 2","P 31 2 (0 0 4)","151","","","Siderophyllite","- Al1.88 F1.25 Fe1.02 H0.25 K0.97 Li0.65 Mg0.08 Mn0.08 Na0.02 O10.75 Si3.13 Ti0.05 -","- Al1.8801 F1.25 Fe1.02 H0.25 K0.97 Li0.6501 Mg0.0801 Mn0.0801 Na0.02 O10.75 Si3.13 Ti0.0501 -","- Al5.6403 F3.75 Fe3.06 H0.75 K2.91 Li1.9503 Mg0.2403 Mn0.2403 Na0.06 O32.25 Si9.39 Ti0.1503 -","3","0.5","","Brigatti, M. F.; Kile, D. E.; Poppi, L.","Crystal structure and chemistry of lithium-bearing trioctahedral micas-3T Sample: 6-r","European Journal of Mineralogy","2003","15","","349","355","10.1127/0935-1221/2003/0015-0349","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005587","5.316","","5.316","","29.846","","90","","90","","120","","730.444","","","","","","","","","","","","","12","P 31 1 2","P 31 2 (0 0 4)","151","","","Siderophyllite","- Al1.68 F1.29 Fe1.26 H0.15 K0.98 Li0.62 Mg0.02 Mn0.05 Na0.04 O10.71 Si3.22 Ti0.03 -","- Al1.68 F1.29 Fe1.26 H0.15 K0.98 Li0.6201 Mg0.0201 Mn0.0501 Na0.04 O10.71 Si3.22 Ti0.03 -","- Al5.04 F3.87 Fe3.78 H0.45 K2.94 Li1.8603 Mg0.0603 Mn0.1503 Na0.12 O32.13 Si9.66 Ti0.09 -","3","0.5","","Brigatti, M. F.; Kile, D. E.; Poppi, L.","Crystal structure and chemistry of lithium-bearing trioctahedral micas-3T Sample: 103","European Journal of Mineralogy","2003","15","","349","355","10.1127/0935-1221/2003/0015-0349","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005588","18.262","","8.826","","5.192","","90","","90","","90","","836.849","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.04 Mg1.96 O6 Si2 -","- Ca0.04 Mg1.96 O6 Si2 -","- Ca0.32 Mg15.68 O48 Si16 -","8","1","","Nestola, F.; Tribaudino, M.","The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: D4En96","European Journal of Mineralogy","2003","15","","365","371","10.1127/0935-1221/2003/0015-0365","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005589","18.268","","8.836","","5.196","","90","","90","","90","","838.718","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Tribaudino, M.","The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: D7E93","European Journal of Mineralogy","2003","15","","365","371","10.1127/0935-1221/2003/0015-0365","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005590","12.27","","12.27","","12.27","","90","","90","","90","","1847.28","","","","200","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","Katoite","- Al2 Ca2.916 H7.632 O12 Si1.092 -","- Al2 Ca2.916 H7.632 O12 Si1.092 -","- Al16 Ca23.328 H61.056 O96 Si8.736 -","8","0.0833333","","Ferro, O.; Galli, E.; Papp, G.; Quartieri, S.; Szakall, S.; Vezzalini, G.","A new occurrence of katoite and re-examination of the hydrogrossular group Sample: Unsplit-O model, T = 200 K","European Journal of Mineralogy","2003","15","","419","426","10.1127/0935-1221/2003/0015-0419","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005591","12.27","","12.27","","12.27","","90","","90","","90","","1847.28","","","","200","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","Katoite","- Al2 Ca2.916 H7.56 O12 Si1.104 -","- Al2 Ca2.916 H7.56 O12 Si1.104 -","- Al16 Ca23.328 H60.48 O96 Si8.832 -","8","0.0833333","","Ferro, O.; Galli, E.; Papp, G.; Quartieri, S.; Szakall, S.; Vezzalini, G.","A new occurrence of katoite and re-examination of the hydrogrossular group Sample: Split-O model, T = 200 K","European Journal of Mineralogy","2003","15","","419","426","10.1127/0935-1221/2003/0015-0419","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005592","8.0903","","8.0903","","8.0903","","90","","90","","90","","529.534","","","","","","","","","","","","Olkhon metamorphic complex, Russia","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.976 Cr0.025 Mg0.994 O4 Zn0.004 -","- Al1.976 Cr0.025 Mg0.994 O4 Zn0.004 -","- Al15.808 Cr0.2 Mg7.952 O32 Zn0.032 -","8","0.0416667","","Lavina, B.; Koneva, A.; Della Giusta, A.","Cation distribution and cooling rates of Cr-substituted Mg-Al spinel from the Olkhon metamorphic complex, Russia Sample: T4-2B","European Journal of Mineralogy","2003","15","","435","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005593","8.094","","8.094","","8.094","","90","","90","","90","","530.261","","","","","","","","","","","","Olkhon metamorphic complex, Russia","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.94 Cr0.062 Mg0.99 O4 Zn0.007 -","- Al1.94 Cr0.062 Mg0.99 O4 Zn0.007 -","- Al15.52 Cr0.496 Mg7.92 O32 Zn0.056 -","8","0.0416667","","Lavina, B.; Koneva, A.; Della Giusta, A.","Cation distribution and cooling rates of Cr-substituted Mg-Al spinel from the Olkhon metamorphic complex, Russia Sample: T4-2F","European Journal of Mineralogy","2003","15","","435","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005594","8.0981","","8.0981","","8.0981","","90","","90","","90","","531.067","","","","","","","","","","","","Olkhon metamorphic complex, Russia","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.915 Cr0.087 Mg0.992 O4 Zn0.006 -","- Al1.915 Cr0.087 Mg0.992 O4 Zn0.006 -","- Al15.32 Cr0.696 Mg7.936 O32 Zn0.048 -","8","0.0416667","","Lavina, B.; Koneva, A.; Della Giusta, A.","Cation distribution and cooling rates of Cr-substituted Mg-Al spinel from the Olkhon metamorphic complex, Russia Sample: T4-2G","European Journal of Mineralogy","2003","15","","435","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005595","8.102","","8.102","","8.102","","90","","90","","90","","531.835","","","","","","","","","","","","Olkhon metamorphic complex, Russia","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.88 Cr0.12 Mg0.993 O4 Zn0.005 -","- Al1.88 Cr0.12 Mg0.993 O4 Zn0.005 -","- Al15.04 Cr0.96 Mg7.944 O32 Zn0.04 -","8","0.0416667","","Lavina, B.; Koneva, A.; Della Giusta, A.","Cation distribution and cooling rates of Cr-substituted Mg-Al spinel from the Olkhon metamorphic complex, Russia Sample: T4-2C","European Journal of Mineralogy","2003","15","","435","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005596","8.1044","","8.1044","","8.1044","","90","","90","","90","","532.308","","","","","","","","","","","","Olkhon metamorphic complex, Russia","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.868 Cr0.133 Mg0.99 O4 Zn0.008 -","- Al1.868 Cr0.133 Mg0.99 O4 Zn0.008 -","- Al14.944 Cr1.064 Mg7.92 O32 Zn0.064 -","8","0.0416667","","Lavina, B.; Koneva, A.; Della Giusta, A.","Cation distribution and cooling rates of Cr-substituted Mg-Al spinel from the Olkhon metamorphic complex, Russia Sample: T4-2I","European Journal of Mineralogy","2003","15","","435","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005597","8.1091","","8.1091","","8.1091","","90","","90","","90","","533.234","","","","","","","","","","","","Olkhon metamorphic complex, Russia","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.835 Cr0.166 Mg0.991 O4 Zn0.009 -","- Al1.835 Cr0.166 Mg0.991 O4 Zn0.009 -","- Al14.68 Cr1.328 Mg7.928 O32 Zn0.072 -","8","0.0416667","","Lavina, B.; Koneva, A.; Della Giusta, A.","Cation distribution and cooling rates of Cr-substituted Mg-Al spinel from the Olkhon metamorphic complex, Russia Sample: T4-2L","European Journal of Mineralogy","2003","15","","435","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005598","8.1172","","8.1172","","8.1172","","90","","90","","90","","534.834","","","","","","","","","","","","Olkhon metamorphic complex, Russia","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.773 Cr0.232 Mg0.988 O4 Zn0.006 -","- Al1.773 Cr0.232 Mg0.988 O4 Zn0.006 -","- Al14.184 Cr1.856 Mg7.904 O32 Zn0.048 -","8","0.0416667","","Lavina, B.; Koneva, A.; Della Giusta, A.","Cation distribution and cooling rates of Cr-substituted Mg-Al spinel from the Olkhon metamorphic complex, Russia Sample: T4-2E","European Journal of Mineralogy","2003","15","","435","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005599","5.269","","9.092","","10.197","","90","","100.12","","90","","480.895","","","","","","","","","","","","Khidiny massif, Kola Peninsula, Russia","10","C 1 2/m 1","-C 2y","12","","","Shirokshinite","- Al0.02 F2 Fe0.09 K0.9 Mg1.971 Mn0.01 Na0.941 O10 Si3.98 Ti0.01 -","- Al0.02 F2 Fe0.09 K0.9 Mg1.971 Mn0.0099 Na0.941 O10 Si3.98 Ti0.0099 -","- Al0.04 F4 Fe0.18 K1.8 Mg3.942 Mn0.0198 Na1.882 O20 Si7.96 Ti0.0198 -","2","0.25","","Pekov, I. V.; Chukanov, N. V.; Ferraris, G.; Ivaldi, G.; Pushcharovsky, D. Y.; Zadov, A. E.","Shirokshinite, K(NaMg2)Si4O10F2, a new mica with octahedral Na from Khidiny massif, Kola Peninsula: descriptive data and structural disorder Locality: Khidiny massif, Kola Peninsula, Russia","European Journal of Mineralogy","2003","15","","447","454","10.1127/0935-1221/2003/0015-0447","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005600","13.666","","13.623","","13.531","","90","","90.5","","90","","2519","","","","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","Wairakite","- Al2 Ca0.959 H2.04 Na0.041 O13.82 Si4 -","- Al2 Ca0.959 H3.64 Na0.041 O13.82 Si4 -","- Al16 Ca7.672 H29.12 Na0.328 O110.56 Si32 -","8","1","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-20, T = 20 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005601","13.712","","13.712","","13.681","","90","","90","","90","","2572.29","","","","443.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","Wairakite","- Al2 Ca0.928 H4 Na0.06 O14 Si4 -","- Al2 Ca0.928 H4 Na0.06 O14 Si4 -","- Al16 Ca7.424 H32 Na0.48 O112 Si32 -","8","0.25","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-170, T = 170 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9005602","13.713","","13.713","","13.687","","90","","90","","90","","2573.79","","","","483.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","Wairakite","- Al2 Ca0.922 H4 Na0.08 O14 Si4 -","- Al2 Ca0.922 H4 Na0.08 O14 Si4 -","- Al16 Ca7.376 H32 Na0.64 O112 Si32 -","8","0.25","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-210, T = 210 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:43",""
"9005603","13.662","","13.662","","13.555","","90","","90","","90","","2530.04","","","","673.15","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Wairakite","- Al Ca0.473 H2 O6.31 Si2 -","- Al Ca0.473 H0.62 O6.31 Si2 -","- Al16 Ca7.568 H9.92 O100.96 Si32 -","16","0.5","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-400, T = 400 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005604","13.645","","13.645","","13.515","","90","","90","","90","","2516.3","","","","873.15","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Wairakite","- Al Ca0.479 O6 Si2 -","- Al Ca0.479 O6 Si2 -","- Al16 Ca7.664 O96 Si32 -","16","0.5","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-600, T = 600 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005605","18.12","","20.494","","7.531","","90","","90","","90","","2796.65","","","","298.15","","","","","","","","","10","C m c m","-C 2c 2","63","","","Mordenite","- Al1.85 Ca0.472 Fe0.007 H9.1 K0.035 Mg0.022 Na0.775 O30.897 Si10.133 Sr0.002 -","- Al1.8504 Ca0.472 Fe0.0072 H13.794 K0.035 Mg0.022 Na0.775 O30.897 Si10.1328 Sr0.002 -","- Al7.4016 Ca1.888 Fe0.0288 H55.176 K0.14 Mg0.088 Na3.1 O123.588 Si40.5312 Sr0.008 -","4","0.25","","Martucci, A.; Sacerdoti, M.; Cruciani, G.; Dalconi, C.","In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 25 C","European Journal of Mineralogy","2003","15","","485","493","10.1127/0935-1221/2003/0015-0485","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005606","18.074","","20.446","","7.531","","90","","90","","90","","2783.01","","","","473.15","","","","","","","","","7","C m c m","-C 2c 2","63","","","Mordenite","- Al1.85 Ca0.439 Fe0.007 H25.4 Mg0.008 O28.887 Si10.133 -","- Al1.8504 Ca0.4395 Fe0.0072 H9.774 Mg0.0079 O28.887 Si10.1328 Sr0.0008 -","- Al7.4016 Ca1.758 Fe0.0288 H39.096 Mg0.0316 O115.548 Si40.5312 Sr0.0032 -","4","0.25","","Martucci A; Sacerdoti M; Cruciani G; Dalconi C","In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 200 C","European Journal of Mineralogy","2003","15","","485","493","10.1127/0935-1221/2003/0015-0485","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005607","18.024","","20.386","","7.503","","90","","90","","90","","2756.88","","","","723.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","Mordenite","- Al0.617 Fe0.002 H9.334 O9.081 Si3.378 -","- Al0.6168 Fe0.0024 H2.16133 O9.08067 Si3.3776 -","- Al7.4016 Fe0.0288 H25.936 O108.968 Si40.5312 -","12","0.75","","Martucci, A.; Sacerdoti, M.; Cruciani, G.; Dalconi, C.","In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 450 C","European Journal of Mineralogy","2003","15","","485","493","10.1127/0935-1221/2003/0015-0485","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005608","18.029","","20.308","","7.493","","90","","90","","90","","2743.43","","","","1103.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","Mordenite","- Al1.85 Fe0.007 H10.002 Na0.547 O25.568 Si10.133 -","- Al1.8504 Fe0.0072 H3.136 Na0.547 O25.568 Si10.1328 -","- Al7.4016 Fe0.0288 H12.544 Na2.188 O102.272 Si40.5312 -","4","0.25","","Martucci, A.; Sacerdoti, M.; Cruciani, G.; Dalconi, C.","In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 830 C","European Journal of Mineralogy","2003","15","","485","493","10.1127/0935-1221/2003/0015-0485","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005609","10.032","","11.333","","7.202","","90.192","","100.334","","111.551","","747.07","","","","","","","","","","","","Werner Bjerge alkaline complex, East Greenland","12","P -1","-P 1","2","","","Kochite","- Ca3.27 Ce0.08 F5.6 Fe0.24 Mn1.1 Na6.91 Nb0.1 O30.4 Si8 Ti0.87 Y0.04 Zr1.31 -","- Ca3.27 Ce0.08 F5.6 Fe0.24 Mn1.1 Na6.91 Nb0.1 O30.4 Si8 Ti0.87 Y0.04 Zr1.31 -","- Ca3.27 Ce0.08 F5.6 Fe0.24 Mn1.1 Na6.91 Nb0.1 O30.4 Si8 Ti0.87 Y0.04 Zr1.31 -","1","0.5","","Christiansen, C. C.; Gault, R. A.; Grice, J. D.; Johnsen, O.","Kochite, a new member of the rosenbuschite group from the Werner Bjerge alkaline complex, East Greenland","European Journal of Mineralogy","2003","15","","551","554","10.1127/0935-1221/2003/0015-0551","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005610","11.253","","19.628","","8.932","","90","","100.05","","90","","1942.57","","","","","","","","","","","","Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany","7","C 1 m 1","C -2y","8","","","Sailaufite","- C3 H18 As6 Ca3.434 Mn9 Na2.566 O48 -","- C3 H18 As6 Ca3.434 Mn9 Na2.566 O48 -","- C6 H36 As12 Ca6.868 Mn18 Na5.132 O96 -","2","0.5","","Wildner, M.; Tillmanns, E.; Andrut, M.; Lorenz, J.","Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from Hartkoppe hill, Ober-Sailauf (Spessart mountains, Germany), and its relationship to mitridatite-group minerals and pararobertsite Locality: Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany","European Journal of Mineralogy","2003","15","","555","564","10.1127/0935-1221/2003/0015-0555","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9005611","12.7558","","12.7558","","5.1985","","90","","90","","120","","732.528","","","","","","","","","","","","","5","P 63","P 6c","173","","","Cancrinite","- Al3 H18.78 Na3.73 O16.77 Si3 -","- Al3 H8.76 Na3.73 O16.77 Si3 -","- Al6 H17.52 Na7.46 O33.54 Si6 -","2","0.333333","","Fechtelkord, M.; Posnatzki, B.; Buhl, J.-C.","Characterization of basic cancrinite synthesized in a butanediol-water system","European Journal of Mineralogy","2003","15","","589","598","10.1127/0935-1221/2003/0015-0589","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005612","8.1358","","8.1358","","8.1358","","90","","90","","90","","538.519","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.737 Cr0.205 Fe0.239 Mg0.806 Mn0.002 Ni0.008 O4 Ti0.001 V0.002 -","- Al1.737 Cr0.205 Fe0.239 Mg0.806 Mn0.002 Ni0.008 O4 Ti0.001 V0.002 -","- Al13.896 Cr1.64 Fe1.912 Mg6.448 Mn0.016 Ni0.064 O32 Ti0.008 V0.016 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: N1SP6","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005613","8.1394","","8.1394","","8.1394","","90","","90","","90","","539.234","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.711 Cr0.216 Fe0.263 Mg0.794 Mn0.002 Ni0.008 O4 Ti0.001 V0.002 Zn0.003 -","- Al1.711 Cr0.216 Fe0.263 Mg0.794 Mn0.002 Ni0.008 O4 Ti0.001 V0.002 Zn0.003 -","- Al13.688 Cr1.728 Fe2.104 Mg6.352 Mn0.016 Ni0.064 O32 Ti0.008 V0.016 Zn0.024 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: I2SP1","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005614","8.147","","8.147","","8.147","","90","","90","","90","","540.746","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","11","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.659 Cr0.232 Fe0.296 Mg0.797 Mn0.003 Ni0.008 O4 Si0.001 Ti0.003 V0.002 Zn0.003 -","- Al1.659 Cr0.232 Fe0.296 Mg0.797 Mn0.003 Ni0.008 O4 Si0.001 Ti0.003 V0.002 Zn0.003 -","- Al13.272 Cr1.856 Fe2.368 Mg6.376 Mn0.024 Ni0.064 O32 Si0.008 Ti0.024 V0.016 Zn0.024 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: 9817A","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9005615","8.1534","","8.1534","","8.1534","","90","","90","","90","","542.021","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","11","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.632 Cr0.243 Fe0.361 Mg0.744 Mn0.004 Ni0.009 O4 Si0.001 Ti0.001 V0.001 Zn0.004 -","- Al1.632 Cr0.243 Fe0.361 Mg0.744 Mn0.004 Ni0.009 O4 Si0.001 Ti0.001 V0.001 Zn0.004 -","- Al13.056 Cr1.944 Fe2.888 Mg5.952 Mn0.032 Ni0.072 O32 Si0.008 Ti0.008 V0.008 Zn0.032 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: 9815B","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9005616","8.1572","","8.1572","","8.1572","","90","","90","","90","","542.779","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","11","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.531 Cr0.41 Fe0.254 Mg0.789 Mn0.003 Ni0.007 O4 Si0.001 Ti0.002 V0.001 Zn0.002 -","- Al1.531 Cr0.41 Fe0.254 Mg0.789 Mn0.003 Ni0.007 O4 Si0.001 Ti0.002 V0.001 Zn0.002 -","- Al12.248 Cr3.28 Fe2.032 Mg6.312 Mn0.024 Ni0.056 O32 Si0.008 Ti0.016 V0.008 Zn0.016 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: 297B2","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9005617","8.194","","8.194","","8.194","","90","","90","","90","","550.159","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.335 Cr0.546 Fe0.391 Mg0.708 Mn0.005 Ni0.005 O4 Si0.001 Ti0.006 V0.003 -","- Al1.335 Cr0.546 Fe0.391 Mg0.708 Mn0.005 Ni0.005 O4 Si0.001 Ti0.006 V0.003 -","- Al10.68 Cr4.368 Fe3.128 Mg5.664 Mn0.04 Ni0.04 O32 Si0.008 Ti0.048 V0.024 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: H1SP2","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9005618","8.2201","","8.2201","","8.2201","","90","","90","","90","","555.433","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.152 Cr0.694 Fe0.45 Mg0.68 Mn0.005 Ni0.005 O4 Si0.001 Ti0.009 V0.004 -","- Al1.152 Cr0.694 Fe0.45 Mg0.68 Mn0.005 Ni0.005 O4 Si0.001 Ti0.009 V0.004 -","- Al9.216 Cr5.552 Fe3.6 Mg5.44 Mn0.04 Ni0.04 O32 Si0.008 Ti0.072 V0.032 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: M2SP1","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9005619","8.214","","8.214","","8.214","","90","","90","","90","","554.197","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.141 Cr0.783 Fe0.304 Mg0.756 Mn0.004 Ni0.005 O4 Si0.002 Ti0.005 -","- Al1.141 Cr0.783 Fe0.304 Mg0.756 Mn0.004 Ni0.005 O4 Si0.002 Ti0.005 -","- Al9.128 Cr6.264 Fe2.432 Mg6.048 Mn0.032 Ni0.04 O32 Si0.016 Ti0.04 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: CRSP1","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005620","8.2129","","8.2129","","8.2129","","90","","90","","90","","553.974","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.129 Cr0.799 Fe0.307 Mg0.736 Mn0.004 Ni0.005 O4 Si0.002 Ti0.005 Zn0.003 -","- Al1.129 Cr0.799 Fe0.307 Mg0.736 Mn0.004 Ni0.005 O4 Si0.002 Ti0.005 Zn0.003 -","- Al9.032 Cr6.392 Fe2.456 Mg5.888 Mn0.032 Ni0.04 O32 Si0.016 Ti0.04 Zn0.024 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: CRSP4","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005621","8.2139","","8.2139","","8.2139","","90","","90","","90","","554.177","","","","","","","","","","","","Predazzo area, Dolomites, Northern Italy","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.127 Cr0.811 Fe0.307 Mg0.741 Mn0.004 Ni0.004 O4 Si0.001 Ti0.005 -","- Al1.127 Cr0.811 Fe0.307 Mg0.741 Mn0.004 Ni0.004 O4 Si0.001 Ti0.005 -","- Al9.016 Cr6.488 Fe2.456 Mg5.928 Mn0.032 Ni0.032 O32 Si0.008 Ti0.04 -","8","0.0416667","","Carraro, A.","Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: CRSP3","European Journal of Mineralogy","2003","15","","681","688","10.1127/0935-1221/2003/0015-0681","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005622","19.215","","7.061","","5.3719","","90","","96.797","","90","","723.721","","","","","","","","","","","","Lovozero alkaline massif, Kola peninsula, Russia","5","C 1 2/m 1","-C 2y","12","","","Lamprophyllite","- Na3 O18 Si4 Sr2 Ti3 -","- Na3 O18 Si4 Sr2 Ti3 -","- Na6 O36 Si8 Sr4 Ti6 -","2","0.25","","Krivovichev, S. V.; Armbruster, T.; Yakovenchuk, V. N.; Pakhomovsky, Y. A.; Men'shikov, Y. P.","Crystal structures of lamprophyllite-2M and lamprophyllite-2O from the Lovozero alkaline massif, Kola peninsula, Russia Note: displacement factors have been altered by Krivovichev, November 2003","European Journal of Mineralogy","2003","15","","711","718","10.1127/0935-1221/2003/0015-0711","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005623","19.128","","7.0799","","5.3824","","90","","90","","90","","728.908","","","","","","","","","","","","Lovozero alkaline massif, Kola peninsula, Russia","6","P n m n","-P 2n 2n","58","","","Lamprophyllite","- H2 Na3 O18 Si4 Sr2 Ti3 -","- H2 Na3 O18 Si4 Sr2 Ti3 -","- H4 Na6 O36 Si8 Sr4 Ti6 -","2","0.25","","Krivovichev, S. V.; Armbruster, T.; Yakovenchuk, V. N.; Pakhomovsky, Y. A.; Men'shikov, Y. P.","Crystal structures of lamprophyllite-2M and lamprophyllite-2O from the Lovozero alkaline massif, Kola peninsula, Russia Note: displacement factors have been altered by Krivovichev, November 2003","European Journal of Mineralogy","2003","15","","711","718","10.1127/0935-1221/2003/0015-0711","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:45",""
"9005624","7.2223","","11.7801","","5.1169","","90.158","","109.938","","81.33","","404.018","","","","","","","","","","","","","6","P -1","-P 1","2","","","Souzalite","- Al3.858 Fe1.642 H14 Mg1.5 O24 P4 -","- Al3.858 Fe1.642 H10 Mg1.5 O24 P4 -","- Al3.858 Fe1.642 H10 Mg1.5 O24 P4 -","1","0.5","","Le Bail, A.; Stephens, P. W.; Hubert, F.","A crystal structure for the souzalite/gormanite series from synchrotron powder diffraction data Locality: Rapid Creek, Yukon, Canada","European Journal of Mineralogy","2003","15","","719","723","10.1127/0935-1221/2003/0015-0719","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005625","6.7805","","6.7805","","24.689","","90","","90","","90","","1135.08","","","","","","","","","","","","Bastnas, Skinnskatteberg, Sweden","4","P 41","P 4w","76","","","Percleveite-(Ce)","- Ho0.275 La1.725 O7 Si2 -","- Ho0.275 La1.725 O7 Si2 -","- Ho2.2 La13.8 O56 Si16 -","8","2","","Holtstam, D.; Norrestam, R.; Andersson, U. B.","Percleveite-(Ce) - a new lanthanide disilicate mineral from Bastnas, Skinnskatteberg, Sweden Locality: Bastnas, Skinnskatteberg, Sweden","European Journal of Mineralogy","2003","15","","725","731","10.1127/0935-1221/2003/0015-0725","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005626","7.288","","7.288","","16.812","","90","","90","","120","","773.333","","","","","","","","","","","","Stavelot Massif, Belgium","6","R -3 m :H","-R 3 2""","166","","","Graulichite-(Ce)","- Al0.51 As1.848 Ce Fe2.49 H6 O14 -","- Al0.51 As1.848 Ce Fe2.49 H6 O14 -","- Al1.53 As5.544 Ce3 Fe7.47 H18 O42 -","3","0.0833333","","Hatert, F.; Lefevre, P.; Pasero, M.; Fransolet, A.-M.","Gaulichite-(Ce), a new arsenate mineral from the Stavelot Massif, Belgium","European Journal of Mineralogy","2003","15","","733","739","10.1127/0935-1221/2003/0015-0733","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005627","4.6696","","8.8486","","8.3915","","90","","90","","90","","346.732","","","","","","","","","","","","Sulu UHP terrane, Eastern China","5","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F1.4 H0.6 O4.6 Si -","- Al2 F1.4 H0.6 O4.6 Si -","- Al8 F5.6 H2.4 O18.4 Si4 -","4","0.5","","Alberico, A.; Ferrando, S.; Ivaldi, G.; Ferraris, G.","X-ray single-crystal structure refinement of an OH-rich topaz from Sulu UHP terrane (Eastern China) - Structural foundation of the correlation between cell parameters and fluorine content Locality: Sulu UHP terrane, Eastern China","European Journal of Mineralogy","2003","15","","875","881","10.1127/0935-1221/2003/0015-0875","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005628","9.716","","8.948","","5.25","","90","","108.49","","90","","432.867","","","","","","","","","","","","in ryodacite, Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.033 Ca0.192 Fe0.854 Mg0.911 Mn0.027 Na0.003 O6 Si1.97 Ti0.01 -","- Al0.0331 Ca0.1918 Fe0.8539 Mg0.9111 Mn0.0271 Na0.0029 O6 Si1.97 Ti0.0099 -","- Al0.1324 Ca0.7672 Fe3.4156 Mg3.6444 Mn0.1084 Na0.0116 O24 Si7.88 Ti0.0396 -","4","1","","Merli, M.; Camara, F.","Topological analysis of the electron density of the clinopyroxene structure by the maximum entropy method: an exploratory study Sample: BTS-308 n.13 Note: Site occupancies are from personal communication with Camara, Dec 2003","European Journal of Mineralogy","2003","15","","903","911","10.1127/0935-1221/2003/0015-0903","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005629","9.651","","8.846","","5.252","","90","","108.38","","90","","425.504","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.6 Mg7.4 O24 Si8 -","4","1","","Merli, M.; Camara, F.","Topological analysis of the electron density of the clinopyroxene structure by the maximum entropy method: an exploratory study Sample: Dien2 Note: c-cell parameter changed by personal communication with author, Dec 2003","European Journal of Mineralogy","2003","15","","903","911","10.1127/0935-1221/2003/0015-0903","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005630","20.49","","4.571","","11.89","","90","","90","","90","","1113.61","","","","","","","","","","","","east of Verkhoyansk, Sakha-Yakutia, Russia","6","P n a 21","P 2c -2n","33","","","Pertsevite-(F)","- B3.39 F2.16 H0.96 Mg8 O13.84 Si0.61 -","- B3.39 F2.16 H0.96 Mg8 O13.84 Si0.61 -","- B13.56 F8.64 H3.84 Mg32 O55.36 Si2.44 -","4","1","","Schreyer, W.; Armbruster, T.; Bernhardt, H. J.; Medenbach, O.","Pertsevite, a new silication magnesioborate mineral with an end-member composition Mg2BO3F, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia Locality: east of Verkhoyansk, Sakha-Yakutia, Russia","European Journal of Mineralogy","2003","15","","1007","1018","10.1127/0935-1221/2003/0015-1007","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005631","12.88","","12.88","","31.761","","90","","90","","120","","4563.06","","","","","","","","","","","","","9","P 3 1 c","P 3 -2c","159","","","Marinellite","- Al18 Ca2.91 Cl0.99 H14 K5.37 Na15.5 O90.98 S4 Si18 -","- Al18 Ca2.91 Cl0.99 H5.96 K5.37 Na15.5 O90.98 S4 Si18 -","- Al36 Ca5.82 Cl1.98 H11.92 K10.74 Na31 O181.96 S8 Si36 -","2","0.333333","","Bonaccorsi, E.; Orlandi, P.","Marinellite, a new feldspathoid of the cancrinite-sodalite group","European Journal of Mineralogy","2003","15","","1019","1027","10.1127/0935-1221/2003/0015-1019","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005632","5.263","","9.251","","9.48","","109.49","","98.57","","90.09","","429.605","","","","","","","","","","","","","6","P -1","-P 1","2","","","Wycheproofite","- Al H4 Na0.884 O10.897 P2 Zr -","- Al H4 Na0.884 O10.897 P2 Zr -","- Al2 H8 Na1.768 O21.794 P4 Zr2 -","2","1","","Kolitsch, U.","The crystal structure of wycheproofite, NaAlZr(PO4)2(OH)2.H2O","European Journal of Mineralogy","2003","15","","1029","1034","10.1127/0935-1221/2003/0015-1029","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005633","6.44","","8.065","","10.411","","85.44","","79.38","","84.65","","528.081","","","","","","","","","","","","Jachymov, Czech Republic","6","P -1","-P 1","2","","","Lindackerite","- As4 Co0.27 Cu4.52 H18 Ni0.15 O24.86 -","- As4 Co0.27 Cu4.52 H19.72 Ni0.15 O24.86 -","- As4 Co0.27 Cu4.52 H19.72 Ni0.15 O24.86 -","1","0.5","","Hybler, J.; Ondrus, P.; CiSarova, I.; Petricek, V.; Veselovsky, F.","Crystal structure of lindackerite, (Cu,Co,Ni)Cu4(AsO4)2(AsO3OH)2*9H2O from Jachymov, Czech Republic Sample: #MZKJ","European Journal of Mineralogy","2003","15","","1035","1042","10.1127/0935-1221/2003/0015-1035","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005634","6.415","","8.048","","10.332","","85.41","","79.5","","84.71","","521.164","","","","","","","","","","","","Jachymov, Czech Republic","4","P -1","-P 1","2","","","Lindackerite","- As4 Cu4.958 H18 O25.22 -","- As4 Cu4.958 H22.44 O25.22 -","- As4 Cu4.958 H22.44 O25.22 -","1","0.5","","Hybler, J.; Ondrus, P.; CiSarova, I.; Petricek, V.; Veselovsky, F.","Crystal structre of lindackerite, (Cu,Co,Ni)Cu4(AsO4)2(AsO3OH)2*9H2O from Jachymov, Czech Republic Sample: #J688","European Journal of Mineralogy","2003","15","","1035","1042","10.1127/0935-1221/2003/0015-1035","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005635","6.1757","","24.262","","21.206","","90","","100.436","","90","","3124.84","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Dietrichite","- Al1.97 H44 O38 S4 Zn0.954 -","- Al1.99 H44 O38 S4 Zn0.954 -","- Al7.96 H176 O152 S16 Zn3.816 -","4","1","","Ballirano, P.; Bellatreccia, F.; Grubessi, O.","New crystal-chemical and structural data of dietrichite, ideally ZnAl2(SO4)4*22H2O, a member of the halotrichite group","European Journal of Mineralogy","2003","15","","1043","1049","10.1127/0935-1221/2003/0015-1043","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9005865","5.2487","","5.2487","","18.6735","","90","","90","","120","","445.512","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","Tuite","- Ca3 O8 P2 -","- Ca3 O8 P2 -","- Ca9 O24 P6 -","3","0.0833333","","Sugiyama, K.; Tokonami, M.","Structure and crystal chemistry of a dense polymorph of tricalcium phosphate Ca3(PO4)2: a host to accommodate large lithophile elements in the Earth's mantle","Physics and Chemistry of Minerals","1987","15","","125","130","10.1007/BF00308774","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005866","5.205","","5.205","","13.7","","90","","90","","120","","321.435","","","","","","","","","","synthesized at 60 kbar and 1300 C","synthesized at 60 kbar","","3","R 3 c :H","R 3 -2""c","161","","","Pyrophanite","- Mn O3 Ti -","- Mn O3 Ti -","- Mn6 O18 Ti6 -","6","0.333333","","Ko, J.; Prewitt, C. T.","High-pressure phase transition in MnTiO3 from the ilmenite to the LiNbO3 structure Sample synthesized at 60 kbar and 1300 C","Physics and Chemistry of Minerals","1988","15","","355","362","10.1007/BF00311040","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9007470","9.965","","14.252","","14.252","","90","","90","","90","","2024.09","","","","","","","","","","","","pelagic sediments of the Pacific Ocean","6","B 2 m b","B -2b 2","40","","","Phillipsite-Na","- Al2.48 H20 K0.5 Na2 O21 Si5.52 -","- Al2.48 H10 K0.5 Na2 O21 Si5.52 -","- Al9.92 H40 K2 Na8 O84 Si22.08 -","4","0.5","","Steinfink, H.","The crystal structure of the zeolite, phillipsite","Acta Crystallographica","1962","15","","644","651","10.1107/S0365110X62001802","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007471","8.035","","5.805","","7.346","","90","","105.63","","90","","329.97","","","","","","","","","","","","Mautia Hill, Tanzania","7","P 1 21/m 1","-P 2yb","11","","","Yoderite","- Al2.64 Ca0.12 Fe0.24 H Mg O10 Si2 -","- Al2.64 Ca0.12 Fe0.24 H Mg O10 Si2 -","- Al5.28 Ca0.24 Fe0.48 H2 Mg2 O20 Si4 -","2","0.5","","Fleet, S. G.; Megaw, H. D.","The crystal structure of yoderite","Acta Crystallographica","1962","15","","721","728","10.1107/S0365110X62001930","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007473","5.979","","13.648","","7.977","","90","","90.43","","90","","650.916","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Rozenite","- Fe2 H16 O16 S2 -","- Fe2 H16 O16 S2 -","- Fe4 H32 O32 S4 -","2","0.5","","Baur, W. H.","Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O (leonhardtit) und FeSO4*4H2O (rozenit) Locality: synthetic","Acta Crystallographica","1962","15","9","815","826","10.1107/S0365110X62002200","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"9009857","13.807","","13.807","","9.792","","90","","90","","120","","1616.59","","","","","","","","","","","","San Giorgio perlena, Fara Vincentina, Vicenza, Italy","5","P 63/m m c","-P 6c 2c","194","","","Gmelinite-Ca","- Al1.821 Ca1.25 H14 O17.94 Si4.179 -","- Al1.821 Ca0.89 H4.68 O14.34 Si4.179 -","- Al7.284 Ca3.56 H18.72 O57.36 Si16.716 -","4","0.166667","","Sacerdoti, M.; Passaglia, E.; Carnevali, R.","Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 3Ca","Zeolites","1995","15","","276","281","10.1016/0144-2449(94)00024-M","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9009858","13.766","","13.766","","10.076","","90","","90","","120","","1653.61","","","","","","","","","","","","Montecchio Maggiore, Vicenza, Italy","5","P 63/m m c","-P 6c 2c","194","","","Gmelinite-Na","- Al0.642 H6 Na0.9 O5.54 Si1.358 -","- Al0.6422 H2.4 Na0.673333 O5.2 Si1.3578 -","- Al7.7064 H28.8 Na8.08 O62.4 Si16.2936 -","12","0.5","","Sacerdoti, M.; Passaglia, E.; Carnevali, R.","Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 1Na","Zeolites","1995","15","","276","281","10.1016/0144-2449(94)00024-M","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9009859","13.687","","13.687","","10.256","","90","","90","","120","","1663.89","","","","","","","","","","","","Queensland, Australia","5","P 63/m m c","-P 6c 2c","194","","","Gmelinite-K","- Al1.84 H28 K2.86 O16.72 Si4.16 -","- Al1.8402 H6.42 K1.93 O15.21 Si4.1598 -","- Al7.3608 H25.68 K7.72 O60.84 Si16.6392 -","4","0.166667","","Sacerdoti, M.; Passaglia, E.; Carnevali, R.","Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 2K","Zeolites","1995","15","","276","281","10.1016/0144-2449(94)00024-M","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9009891","10.926","","10.855","","10.79","","90","","95.92","","90","","1272.89","","","","","","","","","","","","Synthetic","1","P 1 21/c 1","-P 2ybc","14","Sulfur-(beta)","","Sulphur","- S8 -","- S8 -","- S48 -","6","1.5","","Templeton, L. K.; Templeton, D. H.; Zalkin, A.","Crystal structure of monoclinic sulfur Note: this is known as the beta phase of sulfur","Inorganic Chemistry","1976","15","","1999","2001","10.1021/ic50162a059","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009999","7.4264","","7.4264","","6.931","","90","","90","","90","","382.254","","","","127","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","Archerite","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E.","The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 127 K","Journal of Physics C: Solid State Physics","1982","15","","59","75","10.1088/0022-3719/15/1/005","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010000","7.4521","","7.4521","","6.974","","90","","90","","90","","387.293","","","","295","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","Archerite","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E.","The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 295 K","Journal of Physics C: Solid State Physics","1982","15","","59","75","10.1088/0022-3719/15/1/005","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010001","7.459","","7.459","","6.957","","90","","90","","90","","387.064","","","","227","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- D2 K O4 P -","- D2 K O4 P -","- D8 K4 O16 P4 -","4","0.25","","Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E.","The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 227 K","Journal of Physics C: Solid State Physics","1982","15","","59","75","10.1088/0022-3719/15/1/005","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010002","7.4794","","7.4794","","6.995","","90","","90","","90","","391.31","","","","263","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- D2 K O4 P -","- D2 K O4 P -","- D8 K4 O16 P4 -","4","0.25","","Nelmes, R. J.; Meyer, G. M.; Tibballs, J. E.","The crystal structure of tetragonal KH2PO4 and KD2PO4 as a function of temperature Sample: T = 263 K","Journal of Physics C: Solid State Physics","1982","15","","59","75","10.1088/0022-3719/15/1/005","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010720","12.709","","17.896","","15.775","","90","","90","","90","","3587.87","","","","","","","","","","","","","6","P b m n","-P 2ab 2ab","53","Maya Blue","","","- C2.72 H26.5 Mg6 N0.34 O43.3 Si12 -","- C2.72 H24.62 Mg6 N0.34 O43.3 Si12 -","- C10.88 H98.48 Mg24 N1.36 O173.2 Si48 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: OP (3 cells+indigo)","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9010721","36.34","","11.135","","5.499","","90","","90","","90","","2225.15","","","","","","","","","","","","Solongo, Siberia","4","P b c a","-P 2ac 2ab","61","","","Kurchatovite","- B2 Ca Mg O5 -","- B2 Ca Mg O5 -","- B48 Ca24 Mg24 O120 -","24","3","","Callegari, A.; Mazzi, F.; Tadini, C.","Modular aspects of the crystal structures of kurchatovite and clinokurchatovite Locality: Solongo, Siberia","European Journal of Mineralogy","2003","15","","277","282","10.1127/0935-1221/2003/0015-0277","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010722","12.329","","11.146","","5.519","","90","","101.62","","90","","742.872","","","","","","","","","","","","Sayak, Kazackhstan","4","P 1 21/c 1","-P 2ybc","14","","","Clinokurchatovite","- B2 Ca Mg O5 -","- B2 Ca Mg O5 -","- B16 Ca8 Mg8 O40 -","8","2","","Callegari, A.; Mazzi, F.; Tadini, C.","Modular aspects of the crystal structures of kurchatovite and clinokurchatovite Locality: Sayak, Kazackhstan","European Journal of Mineralogy","2003","15","","277","282","10.1127/0935-1221/2003/0015-0277","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011048","3.51","","9.71","","8.05","","90","","111.85","","90","","254.651","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Nahcolite","- C H Na O3 -","- C H Na O3 -","- C4 H4 Na4 O12 -","4","1","","Sass, R. L.; Scheuerman, R. F.","The crystal structure of sodium bicarbonate","Acta Crystallographica","1962","15","","77","81","10.1107/S0365110X62000158","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011049","9.47","","9.47","","10.26","","90","","90","","90","","920.126","","","","","","","","","","","","Synthetic","3","I 41 c d","I 4bw -2c","110","","","Diomignite","- B4 Li2 O7 -","- B4 Li2 O7 -","- B32 Li16 O56 -","8","0.5","","Krogh-Moe J","The crystal structure of lithium diborate, Li2O*2B2O3","Acta Crystallographica","1962","15","","190","193","10.1107/S0365110X6200050X","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011050","5.65754","","5.65754","","5.65754","","90","","90","","90","","181.085","","","","297.75","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","","","Germanium","- Ge -","- Ge -","- Ge8 -","8","0.0416667","","Cooper, A. S.","Precise lattice constants of germanium, aluminum, gallium arsenide, uranium, sulphur, quartz and sapphire Sample: at T = 24.6 C","Acta Crystallographica","1962","15","","578","582","10.1107/S0365110X62001474","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011051","10.606","","10.606","","10.606","","90","","90","","90","","1193.04","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","Palladseite","- Pd17 Se15 -","- Pd17 Se15 -","- Pd34 Se30 -","2","0.0416667","","Geller, S.","The crystal structure of Pd17Se15 Sample: Pm3m refinement","Acta Crystallographica","1962","15","","713","721","10.1107/S0365110X62001929","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011052","10.606","","10.606","","10.606","","90","","90","","90","","1193.04","","","","","","","","","","","","Synthetic","2","P -4 3 m","P -4 2 3","215","","","Palladseite","- Pd17 Se15 -","- Pd17 Se15 -","- Pd34 Se30 -","2","0.0833333","","Geller, S.","The crystal structure of Pd17Se15 Sample: P-43m refinement","Acta Crystallographica","1962","15","","713","721","10.1107/S0365110X62001929","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011053","10.606","","10.606","","10.606","","90","","90","","90","","1193.04","","","","","","","","","","","","Synthetic","2","P 4 3 2","P 4 2 3","207","","","Palladseite","- Pd17 Se15 -","- Pd17 Se15 -","- Pd34 Se30 -","2","0.0833333","","Geller, S.","The crystal structure of Pd17Se15 Sample: P432 refinement","Acta Crystallographica","1962","15","","713","721","10.1107/S0365110X62001929","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011851","12.2","","12.2","","18.17","","90","","90","","120","","2342.1","","","","","","","","","","","","Synthetic","2","R 3 :H","R 3","146","","","Carlinite","- S Tl2 -","- S Tl2 -","- S27 Tl54 -","27","3","","Man, L. I.","Determination of the structure of Tl2S by the electron diffraction method","Soviet Physics Crystallography","1970","15","","399","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011890","9.54","","14.26","","5.6","","90","","90","","116.517","","681.684","","","","","","","","","","","","Synthetic","4","P 1 1 21/b","-P 2bc","14","","","Khibinskite","- K2 O7 Si2 Zr -","- K2 O7 Si2 Zr -","- K8 O28 Si8 Zr4 -","4","1","","Chernov, A. N.; Maksimov, B. A.; Ilyukhin, V. V.; Belov, N. V.","Crystalline structure of monoclinic modification of K,Zr-diorthosilicate (K2ZrSi2O7)","Soviet Physics Doklady","1971","15","","711","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011891","6.98","","8.24","","9.98","","114.2","","80.23","","115.6","","472.143","","","","","","","","","","","","Khibiny massif, Kola Peninsula, Russia","5","P -1","-P 1","2","","","Fenaksite","- Fe K Na O10 Si4 -","- Fe K Na O10 Si4 -","- Fe2 K2 Na2 O20 Si8 -","2","1","","Golovachev, V. P.; Drozdov, Y. N.; Kuz'min, E. A.; Belov, N. V.","The crystal structure of phenaxite FeNaK(Si4O10)(KNaFe[Si4O10])","Soviet Physics Doklady","1971","15","","902","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011948","5.284","","5.284","","12.78","","90","","90","","120","","309.02","","","","","","","","","","","","","9","P 63 m c","P 6c -2c","186","","","Ewaldite","- C Ba Ca0.48 Ce0.2 K0.11 Na0.15 O3 Sr0.03 U0.02 -","- C Ba Ca0.48 Ce0.2 K0.11 Na0.15 O3 Sr0.03 U0.02 -","- C2 Ba2 Ca0.96 Ce0.4 K0.22 Na0.3 O6 Sr0.06 U0.04 -","2","0.166667","","Donnay, G.; Preston, H.","Ewaldite, a new barium calcium carbonate II. Its crystal structure Note: unlocated carbonate group","Tschermaks Mineralogische und Petrographische Mitteilungen","1971","15","","201","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011949","9.66","","14.2","","7.86","","90","","90","","90","","1078.17","","","","","","","","","","","","Synthetic","5","P 21 n b","P -2bc 2a","33","","","Poughite","- Fe2 H6 O13 S Te2 -","- Fe2 H6 O13 S Te2 -","- Fe8 H24 O52 S4 Te8 -","4","1","","Pertlik, F.","Die kristallstruktur von poughit, Fe2[TeO3]2[SO4]*3H2O","Tschermaks Mineralogische und Petrographische Mitteilungen","1971","15","","279","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012125","4.804","","5.784","","3.586","","90","","90","","90","","99.642","","","","","","","","","","","","Synthetic","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Pickardt, J.; Reuter, B.; Riedel, E.; Sochtig, J.","On the formation of FeSe2 single crystals by chemical transport reactions","Journal of Solid State Chemistry","1975","15","","366","368","10.1016/0022-4596(75)90293-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012438","8.37","","8.37","","8.37","","90","","90","","90","","586.376","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Cuprospinel","- Cu Fe2 O4 -","- Cu Fe2 O4 -","- Cu8 Fe16 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012439","8.312","","8.312","","8.312","","90","","90","","90","","574.271","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Magnesiochromite","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr16 Mg8 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012440","8.567","","8.567","","8.567","","90","","90","","90","","628.762","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd Cr2 O4 -","- Cd Cr2 O4 -","- Cd8 Cr16 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012441","8.416","","8.416","","8.416","","90","","90","","90","","596.097","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012442","8.388","","8.388","","8.388","","90","","90","","90","","590.167","","","","","","","","","","","","Synthetic","4","F d -3 m :1","F 4d 2 3 -1d","227","","","Franklinite","- Cu0.5 Fe2 O4 Zn0.5 -","- Cu0.5 Fe2 O4 Zn0.5 -","- Cu4 Fe16 O32 Zn4 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012443","8.402","","8.402","","8.402","","90","","90","","90","","593.127","","","","","","","","","","","","Synthetic","4","F d -3 m :1","F 4d 2 3 -1d","227","","","Franklinite","- Cu0.4 Fe2 O4 Zn0.6 -","- Cu0.4 Fe2 O4 Zn0.6 -","- Cu3.2 Fe16 O32 Zn4.8 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012444","8.445","","8.445","","8.445","","90","","90","","90","","602.281","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- O4 Ti Zn2 -","- O4 Ti Zn2 -","- O32 Ti8 Zn16 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012445","8.299","","8.299","","8.299","","90","","90","","90","","571.58","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Nichromite","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr16 Ni8 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012446","8.273","","8.273","","8.273","","90","","90","","90","","566.225","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Hercynite","- Al Fe2 O4 -","- Al Fe2 O4 -","- Al8 Fe16 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012497","6.9564","","6.9564","","6.1953","","90","","90","","90","","299.8","","","","","","","","","","","","Synthetic","3","I 41/a m d :2","-I 4bd 2","141","","","Stetindite","- Ce O4 Si -","- Ce O4 Si -","- Ce4 O16 Si4 -","4","0.125","","Skakle, J. M. S.; Dickson, C. L.; Glasser, F. P.","The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2","Powder Diffraction","2000","15","","234","238","10.1017/S0885715600011143","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012498","9.4343","","9.4343","","6.8885","","90","","90","","120","","530.976","","","","","","","","","","","","Synthetic","4","P 63/m","-P 6c","176","","","","- Ca1.011 Ce3.989 O13 Si3 -","- Ca1.011 Ce3.989 O13 Si3 -","- Ca2.022 Ce7.978 O26 Si6 -","2","0.166667","","Skakle, J. M. S.; Dickson, C. L.; Glasser, F. P.","The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2","Powder Diffraction","2000","15","","234","238","10.1017/S0885715600011143","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012607","10.382","","10.382","","10.382","","90","","90","","90","","1119.03","","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","Tetrahedrite-(Zn)","- Ag0.06 Cu9.9 Fe0.06 S13 Sb3.88 Zn1.86 -","- Ag0.06 Cu9.9 Fe0.06 S13 Sb3.88 Zn1.86 -","- Ag0.12 Cu19.8 Fe0.12 S26 Sb7.76 Zn3.72 -","2","0.0416667","","Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P.","Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 1","Mineralogiceskij Zhurnal","1993","15","","9","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012608","10.529","","10.529","","10.529","","90","","90","","90","","1167.24","","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","Tetrahedrite-(Zn)","- Ag2.88 Cu7.02 Fe0.84 S13 Sb4 Zn1.26 -","- Ag2.88 Cu7.02 Fe0.84 S13 Sb4 Zn1.26 -","- Ag5.76 Cu14.04 Fe1.68 S26 Sb8 Zn2.52 -","2","0.0416667","","Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P.","Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 2","Mineralogiceskij Zhurnal","1993","15","","9","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012609","10.576","","10.576","","10.576","","90","","90","","90","","1182.94","","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","Freibergite","- Ag3.54 Cu6.3 Fe0.72 S13 Sb4 Zn1.44 -","- Ag3.54 Cu6.3 Fe0.72 S13 Sb4 Zn1.44 -","- Ag7.08 Cu12.6 Fe1.44 S26 Sb8 Zn2.88 -","2","0.0416667","","Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P.","Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 3","Mineralogiceskij Zhurnal","1993","15","","9","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012610","10.492","","10.492","","10.492","","90","","90","","90","","1154.98","","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","Freibergite","- Ag6 Cu4.2 Fe1.2 S12.01 Sb4 Zn0.6 -","- Ag6 Cu4.2 Fe1.2 S12.01 Sb4 Zn0.6 -","- Ag12 Cu8.4 Fe2.4 S24.02 Sb8 Zn1.2 -","2","0.0416667","","Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P.","Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 4","Mineralogiceskij Zhurnal","1993","15","","9","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012923","8.603","","15.476","","16.504","","90","","96.877","","90","","2181.53","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H18 N4 O21 P4 Sc3 -","- C5 H18 N4 O21 P4 Sc3 -","- C20 H72 N16 O84 P16 Sc12 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012953","4.0699","","4.0699","","4.0699","","90","","90","","90","","67.414","","","","291.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Gold","- Au -","- Au -","- Au4 -","4","0.0208333","","Owen, E. A.; Yates, E. L.","Precision measurements of crystal parameters Sample: at T = 18 C Note: lattice parameter is mean value of 5 radiation types","Philosophical Magazine","1933","15","","472","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012954","3.6077","","3.6077","","3.6077","","90","","90","","90","","46.956","","","","291.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Copper","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Owen, E. A.; Yates, E. L.","Precision measurements of crystal parameters Sample: at T = 18 C Note: lattice parameter is mean value of 2 radiation types","Philosophical Magazine","1933","15","","472","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012955","4.0406","","4.0406","","4.0406","","90","","90","","90","","65.969","","","","291.15","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Aluminum","- Al -","- Al -","- Al4 -","4","0.0208333","","Owen, E. A.; Yates, E. L.","Precision measurements of crystal parameters Locality: synthetic Sample: at T = 18 C Note: lattice parameter is mean value of 4 radiation types","Philosophical Magazine","1933","15","","472","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9012957","3.9158","","3.9158","","3.9158","","90","","90","","90","","60.043","","","","291.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Owen, E. A.; Yates, E. L.","Precision measurements of crystal parameters Sample: at T = 18 C Note: lattice parameter is mean value of 5 radiation types","Philosophical Magazine","1933","15","","472","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012958","3.7957","","3.7957","","3.7957","","90","","90","","90","","54.686","","","","291.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Rhodium","- Rh -","- Rh -","- Rh4 -","4","0.0208333","","Owen, E. A.; Yates, E. L.","Precision measurements of crystal parameters Sample: at T = 18 C Note: lattice parameter is mean value of 3 radiation types","Philosophical Magazine","1933","15","","472","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012959","4.9396","","4.9396","","4.9396","","90","","90","","90","","120.525","","","","291.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Lead","- Pb -","- Pb -","- Pb4 -","4","0.0208333","","Owen, E. A.; Yates, E. L.","Precision measurements of crystal parameters Sample: at T = 18 C Note: lattice parameter is mean value of 4 radiation types","Philosophical Magazine","1933","15","","472","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:22",""
"9012960","3.8312","","3.8312","","3.8312","","90","","90","","90","","56.235","","","","291.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iridium","- Ir -","- Ir -","- Ir4 -","4","0.0208333","","Owen, E. A.; Yates, E. L.","Precision measurements of crystal parameters Sample: at T = 18 C Note: lattice parameter is mean value of 3 radiation types","Philosophical Magazine","1933","15","","472","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012961","4.0772","","4.0772","","4.0772","","90","","90","","90","","67.778","","","","291.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Silver","- Ag -","- Ag -","- Ag4 -","4","0.0208333","","Owen, E. A.; Yates, E. L.","Precision measurements of crystal parameters Sample: at T = 18 C Note: lattice parameter is mean value of 5 radiation types","Philosophical Magazine","1933","15","","472","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012962","3.8824","","3.8824","","3.8824","","90","","90","","90","","58.52","","","","291.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Owen, E. A.; Yates, E. L.","Precision measurements of crystal parameters Sample: at T = 18 C Note: lattice parameter is mean value of 4 radiation types","Philosophical Magazine","1933","15","","472","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9013466","9.46","","10.024","","8.67","","90","","90","","90","","822.15","","","","","","","","","","","","Synthetic","4","P b n a","-P 2ac 2b","60","","","Phosphoferrite","- Fe3 H6 O11 P2 -","- Fe3 H6 O11 P2 -","- Fe12 H24 O44 P8 -","4","0.5","","Moore, P. B.; Araki, T.","A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2","Inorganic Chemistry","1976","15","","316","321","10.1021/ic50156a015","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013467","9.518","","9.749","","8.031","","90","","90","","90","","745.204","","","","","","","","","","","","Synthetic","4","P b n a","-P 2ac 2b","60","","","Kryzhanovskite","- Fe3 H3 O11 P2 -","- Fe3 H3 O11 P2 -","- Fe12 H12 O44 P8 -","4","0.5","","Moore, P. B.; Araki, T.","A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2 Note: this sample was synthesized by heating phosphoferrite in air","Inorganic Chemistry","1976","15","","316","321","10.1021/ic50156a015","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9014106","2.786","","2.786","","4.412","","90","","90","","120","","29.657","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","Akhtenskite","- Mn0.5 O -","- Mn0.5 O -","- Mn O2 -","2","0.166667","","Kondrashev, Y. D.; Zaslavskii, A. I.","The structure of the modifications of manganese oxide","Izvestiya Akademii Nauk SSSR","1951","15","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014126","7.497","","12.225","","6.71","","86.18","","93.9","","112.27","","567.231","","","","","","","","","","","","Yakuki mine, Japan","8","P -1","-P 1","2","","","Babingtonite","- Al0.07 Ca2 Fe1.72 H Mg0.04 Mn0.17 O15 Si5 -","- Al0.07 Ca2 Fe1.72 H Mg0.04 Mn0.17 O15 Si5 -","- Al0.14 Ca4 Fe3.44 H2 Mg0.08 Mn0.34 O30 Si10 -","2","1","","Tagai, T.; Joswig, W.; Fuess, H.","Neutron diffraction study of babingtonite at 80 K Note: T = 80 K","Mineralogical Journal","1990","15","","8","18","10.2465/minerj.15.8","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014483","5.5625","","15.5495","","5.5138","","90","","90","","90","","476.911","","","","","","","","","","","","Synthetic","3","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014531","5.5428","","15.5632","","5.5094","","90","","90","","90","","475.261","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95005 Ti0.1 -","- Na8 Nb7.2 O23.6004 Ti0.8 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.1","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014631","8.836","","8.836","","8.836","","107.7","","107.7","","107.7","","563.199","","","","","","","","","","","","Synthetic","3","R -3 :R","-P 3*","148","","","","- Ge O4 Zn2 -","- Ge O4 Zn2 -","- Ge6 O24 Zn12 -","6","1","","Hang, C.; Simonov, M. A.; Belov, N. V.","Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]","Soviet Physics Crystallography","1970","15","","387","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014765","8.628","","8.628","","8.628","","107.87","","107.87","","107.87","","521.689","","","","","","","","","","","","Synthetic","3","R -3 :R","-P 3*","148","","","Willemite","- O4 Si Zn2 -","- O4 Si Zn2 -","- O24 Si6 Zn12 -","6","1","","Hang, C.; Simonov, M. A.; Belov, N. V.","Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]","Soviet Physics Crystallography","1970","15","","387","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015148","5.5396","","15.5705","","5.5087","","90","","90","","90","","475.149","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.85 O2.925 Ti0.15 -","- Na Nb0.85 O2.925 Ti0.15 -","- Na8 Nb6.8 O23.4 Ti1.2 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015571","5.31","","5.31","","42.1","","90","","90","","120","","1028.02","","","","","","","","","","","","Saranovskaye, USSR","5","R 3 :H","R 3","146","","","Amesite","- Al2 H4 Mg2 O9 Si -","- Al2.0005 Mg1.9995 O9 Si -","- Al12.003 Mg11.997 O54 Si6 -","6","0.666667","","Steadman, R.; Nuttall, P. M.","The crystal structure of amesite Note: polytype 6R","Acta Crystallographica","1962","15","","510","511","10.1107/S0365110X62001267","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015694","4.388","","4.388","","2.865","","90","","90","","120","","47.774","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Pyrolusite","- Mn O2 -","- Mn O2 -","- Mn2 O4 -","2","0.125","","Kondrashev, Y. D.; Zaslavskii, A. I.","The structure of the modifications of manganese oxide","Izvestiya Akademii Nauk SSSR","1951","15","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015824","5.5303","","15.5677","","5.5072","","90","","90","","90","","474.137","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.8 O2.9 Ti0.2 -","- Na Nb0.8 O2.89995 Ti0.2 -","- Na8 Nb6.4 O23.1996 Ti1.6 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016028","9.32","","4.46","","2.85","","90","","90","","90","","118.467","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","","Ramsdellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Kondrashev, Y. D.; Zaslavskii, A. I.","The structure of the modifications of manganese oxide","Izvestiya Akademii Nauk SSSR","1951","15","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016224","5.5528","","15.5597","","5.514","","90","","90","","90","","476.409","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.95 O2.975 Ti0.05 -","- Na Nb0.95 O2.97495 Ti0.05 -","- Na8 Nb7.6 O23.7996 Ti0.4 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.05","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016667","9.815","","9.815","","2.847","","90","","90","","90","","274.264","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Mn O2 -","- Mn O2 -","- Mn8 O16 -","8","0.5","","Kondrashev, Y. D.; Zaslavskii, A. I.","The structure of the modifications of manganese oxide","Izvestiya Akademii Nauk SSSR","1951","15","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017808","11.96269","","11.96269","","11.96269","","90","","90","","90","","1711.93","","","","","","","","","","","","Synthetic","4","I -4 3 d","I -4bd 2c 3","220","","","Fluormayenite","- Al7 Ca6 F0.87 O16 -","- Al7 Ca6 F0.87 O16 -","- Al28 Ca24 F3.48 O64 -","4","0.0833333","","Costa, U.; Ballirano, P.","Improved powder X-ray data for the cement phase Ca12Al14O32F2 (C11A7f)","Powder Diffraction","2000","15","","56","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""